==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-DEC-99 1DJQ . COMPND 2 MOLECULE: TRIMETHYLAMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOPHILUS METHYLOTROPHUS; . AUTHOR P.TRICKEY,J.BASRAN,L.-Y.LIAN,Z.-W.CHEN,J.D.BARTON,M.J.SUTCLI . 1458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 2 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 . 106 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.9 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 6 4 6 1 6 4 2 2 2 4 1 2 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 6 8 4 8 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 . 2 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A 0 0 129 0, 0.0 2,-0.2 0, 0.0 335,-0.1 0.000 360.0 360.0 360.0 154.9 59.4 32.4 -16.6 2 2 A R - 0 0 75 333,-0.4 333,-0.1 1,-0.1 5,-0.1 -0.482 360.0-110.4 -74.8 139.4 55.9 31.2 -17.2 3 3 A D > - 0 0 58 331,-0.2 3,-2.5 -2,-0.2 4,-0.2 -0.517 26.2-130.3 -67.2 126.6 54.9 29.6 -20.5 4 4 A P G > S+ 0 0 92 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.750 103.7 68.2 -50.8 -31.7 52.6 32.0 -22.4 5 5 A K G > S+ 0 0 94 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.767 95.2 58.3 -61.7 -24.1 50.0 29.2 -23.0 6 6 A H G X S+ 0 0 4 -3,-2.5 3,-0.8 1,-0.2 -1,-0.3 0.416 76.5 96.3 -86.3 3.0 49.4 29.3 -19.2 7 7 A D G X S+ 0 0 73 -3,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.846 72.6 65.3 -61.2 -35.3 48.4 33.0 -19.2 8 8 A I G X S+ 0 0 43 -3,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.827 89.6 65.8 -57.7 -32.5 44.7 32.1 -19.4 9 9 A L G < S+ 0 0 0 -3,-0.8 14,-2.5 1,-0.3 -1,-0.3 0.608 101.4 52.3 -66.3 -10.3 44.8 30.5 -16.0 10 10 A F G < S+ 0 0 30 -3,-2.1 -1,-0.3 12,-0.2 -2,-0.2 0.263 79.4 109.8-112.3 13.7 45.6 34.0 -14.6 11 11 A E S < S- 0 0 96 -3,-1.7 2,-0.1 -4,-0.1 9,-0.0 -0.641 72.5-116.0 -85.0 142.2 42.7 36.0 -16.1 12 12 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.408 28.1-154.6 -76.5 157.1 40.1 37.1 -13.5 13 13 A I E -A 20 0A 26 7,-2.1 7,-3.2 9,-0.2 2,-0.4 -0.998 11.2-128.1-139.7 134.5 36.6 35.9 -13.7 14 14 A Q E -A 19 0A 105 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.682 20.3-178.7 -83.0 126.0 33.3 37.3 -12.5 15 15 A I E > -A 18 0A 0 3,-2.9 3,-1.9 -2,-0.4 238,-0.1 -0.901 64.9 -63.1-123.9 94.9 31.0 35.2 -10.3 16 16 A G T 3 S- 0 0 29 -2,-0.5 202,-0.1 236,-0.3 -1,-0.1 -0.410 119.7 -11.7 63.8-129.9 28.0 37.3 -9.5 17 17 A P T 3 S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.298 127.2 78.5 -84.1 8.8 29.1 40.4 -7.5 18 18 A K E < -A 15 0A 53 -3,-1.9 -3,-2.9 199,-0.0 2,-0.4 -0.830 65.7-144.9-119.1 160.9 32.5 38.9 -6.9 19 19 A T E -A 14 0A 73 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.986 8.2-146.6-127.6 122.9 35.7 38.6 -8.9 20 20 A L E -A 13 0A 0 -7,-3.2 -7,-2.1 -2,-0.4 35,-0.1 -0.756 13.4-143.7 -84.1 131.6 38.1 35.7 -8.8 21 21 A R S S- 0 0 89 -2,-0.4 2,-0.2 33,-0.2 -1,-0.1 0.835 78.0 -4.3 -66.7 -32.9 41.7 36.9 -9.3 22 22 A N S S- 0 0 11 2,-0.2 -12,-0.2 -10,-0.1 -9,-0.2 -0.846 81.0 -93.4-147.2-178.2 42.6 33.8 -11.3 23 23 A R S S+ 0 0 23 -14,-2.5 295,-3.3 -2,-0.2 2,-0.7 0.249 85.9 107.0 -89.0 12.6 41.2 30.4 -12.3 24 24 A F E +b 318 0B 0 -15,-0.3 30,-2.4 28,-0.2 31,-0.7 -0.845 46.4 173.8 -95.9 117.8 42.6 28.4 -9.4 25 25 A Y E -bc 319 55B 0 293,-2.6 295,-2.4 -2,-0.7 2,-0.9 -0.976 29.0-144.3-131.5 125.2 39.8 27.6 -6.9 26 26 A Q E -bc 320 56B 0 29,-2.5 31,-0.8 -2,-0.4 295,-0.2 -0.785 24.4-149.8 -89.3 107.4 39.8 25.4 -3.8 27 27 A V - 0 0 2 293,-1.6 30,-0.2 -2,-0.9 2,-0.1 -0.233 39.1 -72.8 -67.8 162.2 36.5 23.6 -3.7 28 28 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 31,-0.2 -0.355 65.4 161.7 -59.8 131.9 35.0 22.7 -0.2 29 29 A H - 0 0 22 28,-0.4 2,-0.0 -3,-0.1 30,-0.0 -0.976 37.2-110.0-156.3 140.9 36.9 19.8 1.4 30 30 A A + 0 0 28 -2,-0.3 325,-0.1 1,-0.1 44,-0.1 -0.308 30.6 167.5 -68.6 152.2 37.2 18.4 5.0 31 31 A I - 0 0 2 42,-0.2 331,-2.3 323,-0.1 -1,-0.1 0.302 60.9 -99.0-143.3 -2.1 40.4 18.7 6.9 32 32 A G S S+ 0 0 3 41,-0.3 42,-0.1 329,-0.2 8,-0.1 0.794 102.1 90.6 83.2 30.7 39.3 17.7 10.4 33 33 A A >> + 0 0 0 40,-0.2 3,-1.6 7,-0.1 4,-1.6 0.708 43.0 156.2-120.4 -50.9 39.0 21.3 11.7 34 34 A G T 34 S- 0 0 1 1,-0.3 41,-0.3 39,-0.2 7,-0.1 -0.262 82.2 -42.4 56.3-131.3 35.4 22.5 11.1 35 35 A S T 34 S+ 0 0 1 39,-0.7 -1,-0.3 1,-0.1 40,-0.1 0.249 133.3 76.3-110.1 6.7 34.6 25.3 13.6 36 36 A D T <4 S+ 0 0 36 -3,-1.6 1405,-0.4 1,-0.2 -2,-0.2 0.669 97.7 39.9 -89.7 -26.0 36.2 23.4 16.4 37 37 A K X + 0 0 45 -4,-1.6 4,-2.7 1,-0.1 -1,-0.2 -0.625 66.7 170.7-125.8 76.8 39.9 24.1 15.5 38 38 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.809 77.0 51.9 -56.5 -37.5 39.9 27.8 14.3 39 39 A G H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.951 112.1 45.1 -65.1 -50.2 43.7 28.0 14.2 40 40 A F H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.946 114.5 50.3 -57.0 -50.6 44.0 24.9 12.0 41 41 A Q H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.941 116.2 40.5 -56.3 -50.1 41.1 26.1 9.8 42 42 A S H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.913 116.7 47.0 -68.9 -44.1 42.6 29.6 9.3 43 43 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 5,-0.3 0.961 112.9 49.2 -63.3 -48.3 46.3 28.6 8.8 44 44 A H H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.880 117.6 39.6 -60.2 -41.9 45.5 25.8 6.4 45 45 A R H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.3 3,-0.3 0.873 113.9 54.2 -77.0 -35.5 43.3 28.0 4.2 46 46 A S H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.893 100.1 57.8 -68.6 -37.8 45.5 31.1 4.5 47 47 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.851 108.0 50.4 -60.5 -28.1 48.7 29.5 3.3 48 48 A K H <>S+ 0 0 0 -4,-0.6 5,-2.3 -3,-0.3 -1,-0.3 0.853 107.8 51.6 -75.1 -36.4 46.8 28.6 0.1 49 49 A A H ><5S+ 0 0 1 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.944 111.5 47.2 -63.8 -45.2 45.6 32.2 -0.2 50 50 A E H 3<5S+ 0 0 41 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.886 107.1 59.7 -61.6 -35.9 49.3 33.3 0.2 51 51 A G T 3<5S- 0 0 0 -4,-1.8 281,-1.8 -5,-0.3 -1,-0.3 0.408 126.3 -99.1 -74.3 -0.4 50.1 30.6 -2.4 52 52 A G T < 5 + 0 0 14 -3,-1.8 -28,-0.2 1,-0.3 -3,-0.2 0.385 66.5 153.3 102.4 -5.4 47.8 32.3 -5.0 53 53 A W < - 0 0 0 -5,-2.3 -1,-0.3 275,-0.3 -28,-0.2 -0.415 39.6-143.0 -62.0 129.0 44.5 30.3 -4.8 54 54 A A S S+ 0 0 1 -30,-2.4 45,-2.2 1,-0.2 2,-0.3 0.851 78.5 12.5 -62.1 -39.6 41.7 32.6 -5.9 55 55 A A E -cd 25 99B 0 -31,-0.7 -29,-2.5 43,-0.2 2,-0.4 -0.999 61.5-159.2-144.9 141.8 39.1 31.3 -3.4 56 56 A L E -cd 26 100B 0 43,-2.6 45,-2.2 -2,-0.3 2,-0.3 -0.988 12.5-165.0-124.0 128.4 39.2 29.1 -0.4 57 57 A N E - d 0 101B 0 -31,-0.8 -28,-0.4 -2,-0.4 45,-0.2 -0.790 17.1-126.5-111.9 153.6 36.1 27.2 1.0 58 58 A T E - 0 0 0 43,-1.8 3,-0.1 -2,-0.3 -29,-0.1 -0.232 40.4 -93.9 -80.1-178.5 35.5 25.5 4.3 59 59 A E E S- 0 0 1 -31,-0.2 44,-0.7 1,-0.2 -1,-0.2 -0.271 74.3 -43.3 -86.2-178.9 34.3 21.9 4.3 60 60 A Y E - d 0 103B 11 42,-0.1 15,-2.4 1,-0.1 2,-0.6 -0.214 67.0-149.4 -48.8 128.8 30.6 21.1 4.5 61 61 A C E -ed 75 104B 0 42,-3.5 44,-3.2 13,-0.2 15,-0.3 -0.919 8.6-128.5-115.2 110.8 29.1 23.4 7.1 62 62 A S E -ed 76 105B 0 13,-2.7 15,-2.4 -2,-0.6 44,-0.2 -0.292 13.0-163.0 -57.8 126.0 26.1 22.3 9.2 63 63 A I S S+ 0 0 3 42,-2.2 -1,-0.1 1,-0.2 43,-0.1 0.612 72.3 11.2 -86.6 -11.4 23.3 24.8 9.2 64 64 A N S > S- 0 0 30 41,-0.4 3,-2.5 3,-0.3 -1,-0.2 -0.962 77.6-106.0-165.7 145.5 21.5 23.4 12.3 65 65 A P T 3 S+ 0 0 38 0, 0.0 53,-0.4 0, 0.0 3,-0.3 0.649 112.8 70.2 -48.3 -22.1 22.1 20.9 15.1 66 66 A E T 3 S+ 0 0 4 1,-0.3 2,-0.2 51,-0.1 55,-0.2 0.391 95.1 56.5 -80.9 7.2 19.7 18.4 13.4 67 67 A S S < S+ 0 0 0 -3,-2.5 2,-0.5 53,-0.1 -3,-0.3 -0.666 75.4 149.8-132.2 69.5 22.4 17.9 10.7 68 68 A D - 0 0 1 -3,-0.3 45,-2.5 -2,-0.2 46,-0.3 -0.942 32.9-163.4-108.1 119.5 25.3 16.9 13.0 69 69 A D > + 0 0 0 -2,-0.5 3,-2.9 43,-0.2 -1,-0.1 0.503 30.4 169.8 -84.5 -1.8 27.8 14.5 11.5 70 70 A T T 3 + 0 0 14 1,-0.4 44,-1.8 41,-0.1 45,-0.2 -0.244 66.5 42.5 -47.6 129.6 29.4 13.4 14.8 71 71 A H T 3 S+ 0 0 34 1017,-0.2 -1,-0.4 42,-0.1 2,-0.2 -0.980 120.0 55.8 -75.3 -11.4 31.3 11.1 14.9 72 72 A R S < S- 0 0 8 -3,-2.9 2,-0.6 286,-0.2 284,-0.1 -0.538 90.5-118.8 -80.4 155.4 32.7 12.8 11.7 73 73 A L + 0 0 24 282,-0.3 -41,-0.3 -2,-0.2 2,-0.2 -0.849 37.7 166.0-103.2 121.6 33.8 16.4 12.0 74 74 A S - 0 0 3 -2,-0.6 -39,-0.7 -41,-0.1 -38,-0.2 -0.732 41.0 -98.5-119.5 169.6 32.1 19.1 9.9 75 75 A A E -e 61 0B 0 -15,-2.4 -13,-2.7 -41,-0.3 2,-0.3 -0.464 39.8-151.4 -79.4 166.4 32.1 22.9 10.1 76 76 A R E -e 62 0B 3 -15,-0.3 -13,-0.2 -2,-0.1 10,-0.1 -0.999 26.4-177.5-143.7 138.0 29.1 24.5 11.9 77 77 A I + 0 0 0 -15,-2.4 80,-0.1 -2,-0.3 81,-0.1 -0.449 44.6 126.8-129.0 55.0 27.4 27.9 11.5 78 78 A W S S- 0 0 22 1,-0.1 2,-0.2 -14,-0.1 -1,-0.1 0.844 71.9 -9.8 -79.8 -40.9 24.8 27.4 14.3 79 79 A D S >> S- 0 0 20 -3,-0.1 4,-1.7 78,-0.0 3,-0.5 -0.797 85.0 -71.1-145.4-168.3 25.3 30.4 16.4 80 80 A E H 3> S+ 0 0 106 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.790 121.8 62.4 -65.2 -32.2 27.5 33.5 17.2 81 81 A G H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 1362,-0.3 0.901 105.8 46.5 -61.2 -39.3 30.3 31.3 18.6 82 82 A D H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.895 107.9 55.9 -69.3 -42.1 30.6 29.7 15.2 83 83 A V H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.924 109.5 47.7 -55.9 -43.8 30.6 33.1 13.4 84 84 A R H X S+ 0 0 57 -4,-2.3 4,-1.0 2,-0.2 3,-0.2 0.966 113.7 45.3 -61.0 -56.2 33.5 34.2 15.6 85 85 A N H < S+ 0 0 3 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.888 114.7 47.2 -57.5 -42.7 35.6 31.1 15.0 86 86 A L H >X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 3,-0.9 0.795 101.5 65.5 -71.8 -26.7 35.0 31.0 11.3 87 87 A K H 3X S+ 0 0 82 -4,-1.7 4,-3.1 -5,-0.3 5,-0.3 0.838 89.1 66.9 -64.4 -30.8 35.8 34.7 10.9 88 88 A A H 3X S+ 0 0 6 -4,-1.0 4,-1.5 -3,-0.5 -1,-0.3 0.868 105.7 44.8 -55.9 -34.7 39.4 34.0 12.0 89 89 A M H <> S+ 0 0 0 -3,-0.9 4,-2.0 -4,-0.5 -2,-0.2 0.900 112.7 47.0 -78.1 -43.3 39.6 32.1 8.7 90 90 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 71,-0.2 -2,-0.2 0.876 112.5 51.2 -68.7 -37.3 37.9 34.7 6.4 91 91 A D H X S+ 0 0 77 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.950 112.7 45.4 -62.1 -48.3 40.0 37.5 7.9 92 92 A E H X S+ 0 0 47 -4,-1.5 4,-0.6 -5,-0.3 -2,-0.2 0.819 113.5 49.1 -66.5 -33.0 43.3 35.5 7.3 93 93 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 3,-0.9 0.882 109.6 51.9 -73.8 -37.5 42.2 34.5 3.8 94 94 A H H ><5S+ 0 0 67 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.861 95.8 71.4 -66.6 -34.0 41.3 38.1 2.9 95 95 A K H 3<5S+ 0 0 135 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 102.4 42.8 -50.4 -34.7 44.7 39.2 4.2 96 96 A Y T <<5S- 0 0 72 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.058 123.2-102.3-104.0 25.7 46.2 37.6 1.1 97 97 A G T < 5S+ 0 0 52 -3,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.607 78.1 127.4 69.3 17.5 43.6 38.9 -1.4 98 98 A A < - 0 0 3 -5,-1.7 2,-0.3 -78,-0.1 -43,-0.2 -0.549 57.7-113.1-103.4 167.2 41.5 35.8 -1.8 99 99 A L E -d 55 0B 22 -45,-2.2 -43,-2.6 -2,-0.2 2,-0.4 -0.684 23.9-142.8 -94.2 153.9 37.8 35.1 -1.4 100 100 A A E -d 56 0B 0 -2,-0.3 64,-3.0 62,-0.2 65,-1.9 -0.939 18.1-173.4-119.4 138.3 36.3 32.9 1.3 101 101 A G E -df 57 165B 0 -45,-2.2 -43,-1.8 -2,-0.4 2,-0.4 -0.928 12.2-152.8-131.8 158.4 33.4 30.5 0.8 102 102 A V E - f 0 166B 0 63,-2.1 65,-2.4 -2,-0.3 2,-0.8 -0.974 13.8-138.8-130.9 140.8 31.2 28.3 3.0 103 103 A E E -df 60 167B 3 -44,-0.7 -42,-3.5 -2,-0.4 2,-0.3 -0.818 20.2-143.3-103.8 95.4 29.3 25.2 2.0 104 104 A L E -df 61 168B 0 63,-1.3 65,-1.6 -2,-0.8 2,-0.4 -0.403 26.5-167.3 -61.3 118.3 25.9 25.2 3.6 105 105 A W E +d 62 0B 0 -44,-3.2 -42,-2.2 -2,-0.3 2,-0.4 -0.900 30.4 165.6-123.0 137.5 25.0 21.7 4.6 106 106 A Y - 0 0 1 -2,-0.4 69,-1.7 63,-0.3 -39,-0.1 -0.966 16.4-168.8-138.4 118.4 22.0 19.7 5.7 107 107 A G > - 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -40,-0.1 0.556 12.0-151.9 -93.6 -6.9 22.5 15.9 5.5 108 108 A G G > S- 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 -0.411 75.1 -20.7 68.4-147.7 19.1 14.3 6.0 109 109 A A G 3 S+ 0 0 0 1,-0.3 19,-0.3 11,-0.1 -1,-0.3 0.579 126.4 80.3 -71.6 -9.9 19.5 10.8 7.5 110 110 A H G < S+ 0 0 0 -3,-1.5 -1,-0.3 63,-0.1 -2,-0.2 0.723 80.2 77.3 -67.0 -21.1 23.1 10.6 6.3 111 111 A A S < S- 0 0 0 -3,-1.4 -42,-0.2 -45,-0.1 -43,-0.1 -0.821 71.5-159.6 -90.3 117.1 24.0 12.7 9.3 112 112 A P - 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0 0 72 1,-0.1 4,-2.1 42,-0.0 3,-1.0 -0.804 63.3-152.9 -94.0 119.2 21.6 -5.3 43.8 1033 303 B P H 3> S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.749 97.4 60.3 -59.0 -30.2 22.4 -4.4 47.5 1034 304 B E H 3> S+ 0 0 80 2,-0.2 4,-1.1 1,-0.2 -2,-0.0 0.871 108.4 43.3 -66.5 -35.7 21.8 -8.0 48.5 1035 305 B K H <> S+ 0 0 49 -3,-1.0 4,-1.9 2,-0.2 5,-0.2 0.863 110.3 57.5 -76.0 -36.5 24.6 -9.1 46.1 1036 306 B M H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.884 108.3 44.7 -62.3 -40.2 26.8 -6.2 47.3 1037 307 B I H X S+ 0 0 18 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.825 107.4 61.5 -75.4 -27.2 26.6 -7.4 51.0 1038 308 B E H X S+ 0 0 57 -4,-1.1 4,-2.6 1,-0.2 6,-0.2 0.950 105.5 43.7 -62.6 -50.4 27.3 -11.0 49.9 1039 309 B I H <>S+ 0 0 2 -4,-1.9 5,-2.6 2,-0.2 6,-1.3 0.847 117.0 47.8 -66.0 -33.0 30.7 -10.3 48.4 1040 310 B V H ><5S+ 0 0 16 -4,-1.2 3,-1.2 -5,-0.2 -2,-0.2 0.962 116.0 41.2 -72.4 -50.8 31.7 -8.1 51.3 1041 311 B T H 3<5S+ 0 0 99 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.866 112.7 54.6 -68.1 -34.6 30.6 -10.5 54.1 1042 312 B K T 3<5S- 0 0 117 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.542 115.9-116.6 -75.3 -4.2 32.0 -13.5 52.2 1043 313 B G T < 5S+ 0 0 37 -3,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.726 79.0 125.2 77.6 23.0 35.3 -11.8 52.0 1044 314 B Y S > S+ 0 0 22 -2,-0.3 4,-1.0 -295,-0.2 3,-0.9 0.402 85.6 30.8-128.3 -77.8 30.9 1.8 36.3 1052 322 B R H >> S+ 0 0 18 1,-0.3 4,-2.4 2,-0.2 3,-1.1 0.884 116.5 57.8 -54.5 -45.7 27.7 1.1 34.4 1053 323 B P H 3> S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.882 106.7 50.3 -55.9 -34.2 25.5 0.9 37.5 1054 324 B S H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 2,-0.2 6,-0.1 0.718 108.8 51.6 -75.5 -24.0 26.7 4.5 38.4 1055 325 B I H << S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-1.0 -3,-0.1 0.909 112.0 45.3 -76.6 -44.4 25.8 5.7 34.9 1056 326 B A H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.871 133.3 17.7 -66.4 -36.6 22.3 4.3 35.0 1057 327 B D >< + 0 0 0 -4,-1.9 3,-2.0 -5,-0.3 -1,-0.3 -0.688 57.5 178.8-144.1 91.3 21.8 5.6 38.5 1058 328 B P T 3 S+ 0 0 0 0, 0.0 -275,-0.3 0, 0.0 -277,-0.2 0.702 90.6 51.7 -58.4 -22.9 24.1 8.4 39.9 1059 329 B F T 3> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.247 70.7 116.2-102.2 15.1 22.0 8.3 43.1 1060 330 B L H <> S+ 0 0 1 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 0.890 75.9 51.1 -49.7 -47.6 22.2 4.5 43.8 1061 331 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.930 111.0 46.8 -58.0 -48.5 24.2 5.0 47.1 1062 332 B Q H > S+ 0 0 49 -281,-2.0 4,-2.1 1,-0.2 6,-0.3 0.880 110.6 53.8 -61.6 -37.6 21.7 7.5 48.6 1063 333 B K H X>S+ 0 0 1 -4,-2.3 5,-1.7 -282,-0.2 4,-0.6 0.908 111.0 44.6 -65.6 -40.0 18.8 5.3 47.6 1064 334 B V H ><5S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.915 111.9 54.2 -69.4 -40.1 20.2 2.3 49.3 1065 335 B E H 3<5S+ 0 0 85 -4,-2.6 -333,-0.4 1,-0.2 -2,-0.2 0.851 113.3 41.3 -61.2 -37.8 21.1 4.5 52.3 1066 336 B Q H 3<5S- 0 0 91 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.457 113.3-114.5 -90.9 -1.1 17.5 5.7 52.6 1067 337 B G T <<5S+ 0 0 18 -3,-0.9 2,-1.8 -4,-0.6 3,-0.3 0.560 70.7 139.1 79.2 9.7 15.8 2.4 52.0 1068 338 B R > < + 0 0 66 -5,-1.7 3,-1.9 -6,-0.3 4,-0.2 -0.325 14.9 153.6 -84.6 59.0 14.3 3.5 48.7 1069 339 B Y G > + 0 0 75 -2,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.826 65.5 58.0 -57.4 -36.8 15.1 0.3 46.9 1070 340 B D G 3 S+ 0 0 85 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.451 97.3 63.4 -77.0 0.9 12.3 0.5 44.4 1071 341 B D G < S+ 0 0 20 -3,-1.9 2,-0.5 -8,-0.1 -1,-0.3 0.390 74.5 116.3-101.2 -1.9 13.6 3.9 43.2 1072 342 B I < - 0 0 16 -3,-1.3 2,-1.1 -4,-0.2 -15,-0.1 -0.600 60.8-144.9 -75.0 120.6 16.8 2.3 41.9 1073 343 B R - 0 0 3 -2,-0.5 2,-0.3 -20,-0.1 -13,-0.1 -0.769 25.0-145.6 -87.0 98.8 17.2 2.6 38.1 1074 344 B V - 0 0 36 -2,-1.1 2,-0.1 98,-0.2 102,-0.1 -0.512 10.8-118.0 -76.2 130.3 18.9 -0.7 37.4 1075 345 B C - 0 0 14 -2,-0.3 -1,-0.1 1,-0.1 97,-0.1 -0.423 16.1-153.3 -63.0 132.4 21.5 -0.9 34.5 1076 346 B I - 0 0 6 -2,-0.1 -75,-0.2 -24,-0.1 -1,-0.1 0.381 31.7-122.2 -90.9 4.5 20.4 -3.4 31.9 1077 347 B G + 0 0 0 -77,-0.1 -76,-1.8 -76,-0.1 -75,-0.6 0.854 66.4 138.8 57.6 39.5 23.9 -4.3 30.7 1078 348 B C - 0 0 11 -78,-0.2 -1,-0.1 -77,-0.1 92,-0.0 0.659 52.6-143.8 -85.1 -20.7 23.2 -3.2 27.1 1079 349 B N > + 0 0 1 -80,-0.1 4,-1.9 1,-0.1 224,-0.1 0.686 57.5 132.2 62.6 23.2 26.6 -1.5 26.7 1080 350 B V H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 13,-0.2 0.799 70.4 58.3 -72.5 -25.4 25.3 1.4 24.6 1081 351 B C H >> S+ 0 0 20 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.943 109.0 44.9 -65.7 -46.1 27.2 3.8 26.8 1082 352 B I H >> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.876 101.9 67.4 -64.2 -38.7 30.4 2.0 25.9 1083 353 B S H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.832 97.1 54.5 -53.4 -36.3 29.4 1.9 22.2 1084 354 B R H - 0 0 4 1,-0.1 3,-1.8 -24,-0.1 -3,-0.5 -0.783 57.0-176.9-104.5 97.9 19.3 7.4 32.2 1098 368 B A T 3 S+ 0 0 1 -2,-0.8 -1,-0.1 1,-0.3 10,-0.1 0.553 83.5 61.1 -68.1 -9.0 18.4 10.0 29.6 1099 369 B T T >> S+ 0 0 0 2,-0.1 3,-2.5 3,-0.1 4,-1.1 0.579 72.1 113.5 -93.0 -11.8 20.2 12.6 31.6 1100 370 B A T <4 S+ 0 0 0 -3,-1.8 -6,-0.3 1,-0.3 -45,-0.0 -0.457 93.8 10.7 -62.1 117.4 23.6 10.9 31.3 1101 371 B G T 34 S+ 0 0 5 -2,-0.3 4,-0.4 -331,-0.1 -1,-0.3 0.231 121.0 75.6 95.4 -11.3 25.7 13.3 29.1 1102 372 B E T <>> + 0 0 1 -3,-2.5 4,-1.9 6,-0.1 6,-1.5 0.487 62.8 94.8-109.5 -7.9 23.0 15.9 29.5 1103 373 B E H X5S+ 0 0 0 -4,-1.1 4,-0.5 4,-0.2 -377,-0.2 0.938 98.6 25.0 -48.5 -57.3 23.7 17.1 33.0 1104 374 B Y H 45S+ 0 0 15 3,-0.2 -378,-0.4 2,-0.2 333,-0.2 0.956 124.9 44.6 -77.6 -55.2 25.9 20.0 32.0 1105 375 B R H 45S+ 0 0 29 -4,-0.4 332,-2.6 1,-0.2 -2,-0.2 0.785 131.0 21.8 -65.5 -30.3 24.8 20.9 28.5 1106 376 B R H <5S- 0 0 13 -4,-1.9 -1,-0.2 330,-0.2 -3,-0.2 0.494 100.8-123.1-112.7 -9.2 21.1 20.8 29.0 1107 377 B G << + 0 0 1 -5,-0.7 -379,-2.8 -4,-0.5 2,-0.8 0.812 53.3 159.3 70.9 30.4 21.1 21.3 32.8 1108 378 B W - 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0 0 20 90,-0.1 24,-1.7 91,-0.1 2,-0.4 -0.375 32.0-143.4 -69.4 144.3 -2.3 21.3 32.2 1121 391 B S E -j 1144 0M 22 22,-0.2 91,-1.7 88,-0.1 90,-1.6 -0.912 11.9-155.2-108.7 138.8 -3.3 17.7 31.5 1122 392 B V E -jk11451212M 1 22,-2.6 24,-2.8 -2,-0.4 2,-0.5 -0.961 4.0-152.7-120.7 129.7 -1.3 15.7 29.0 1123 393 B L E -jk11461213M 0 89,-2.5 91,-2.9 -2,-0.5 2,-0.5 -0.876 11.8-165.9 -98.8 132.2 -2.6 12.7 27.1 1124 394 B I E -jk11471214M 0 22,-3.1 24,-2.6 -2,-0.5 2,-0.8 -0.976 6.3-159.4-123.3 117.6 0.1 10.2 26.0 1125 395 B V E +jk11481215M 11 89,-2.4 91,-2.5 -2,-0.5 24,-0.2 -0.846 67.5 32.9 -97.7 106.8 -0.8 7.5 23.4 1126 396 B G - 0 0 7 22,-3.2 23,-0.2 -2,-0.8 22,-0.1 0.220 58.4-149.0 115.6 123.5 1.7 4.6 23.7 1127 397 B A + 0 0 0 4,-0.2 28,-3.1 26,-0.1 29,-0.2 -0.093 56.4 117.7-112.3 32.8 3.5 3.3 26.7 1128 398 B G S > S- 0 0 10 88,-0.5 4,-2.9 27,-0.2 5,-0.4 -0.058 89.4 -63.9 -82.7-166.0 6.8 2.1 25.2 1129 399 B P H > S+ 0 0 4 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.868 137.3 40.1 -50.0 -43.8 10.2 3.4 26.1 1130 400 B S H > S+ 0 0 6 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.949 119.5 42.2 -74.2 -49.2 9.4 6.9 24.8 1131 401 B G H > S+ 0 0 0 85,-0.3 4,-2.6 1,-0.2 -4,-0.2 0.936 115.1 48.8 -64.0 -46.0 5.8 7.3 26.0 1132 402 B S H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.862 112.4 49.0 -64.1 -34.7 6.4 5.8 29.5 1133 403 B E H X S+ 0 0 1 -4,-1.1 4,-2.4 -5,-0.4 5,-0.2 0.900 110.1 50.8 -71.9 -39.3 9.5 8.0 30.0 1134 404 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.929 111.8 48.9 -62.1 -42.1 7.5 11.1 29.0 1135 405 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.942 110.5 50.8 -60.3 -48.6 4.8 10.1 31.4 1136 406 B R H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.930 113.4 43.6 -56.8 -49.1 7.3 9.5 34.2 1137 407 B V H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.863 113.2 50.2 -69.0 -36.9 8.9 12.9 33.8 1138 408 B L H <>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.2 3,-0.2 0.928 112.1 48.8 -66.1 -42.9 5.7 14.9 33.4 1139 409 B M H ><5S+ 0 0 19 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.937 109.0 51.8 -62.3 -44.8 4.3 13.3 36.5 1140 410 B E H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 108.6 53.9 -61.7 -25.9 7.5 14.1 38.5 1141 411 B S T 3<5S- 0 0 7 -4,-1.1 -25,-2.8 -3,-0.2 -1,-0.3 0.418 123.2-105.7 -88.0 -3.2 7.0 17.6 37.3 1142 412 B G T < 5S+ 0 0 36 -3,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.600 70.3 139.8 92.5 11.7 3.5 17.8 38.6 1143 413 B Y < - 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