==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-10 2XVJ . COMPND 2 MOLECULE: FLAVIN-CONTAINING MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOPHAGA AMINISULFIDIVORANS; . AUTHOR H.J.CHO,B.S.KANG . 1336 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 847 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 98 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 1 5 0 0 0 0 0 0 3 0 0 9 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 3 11 7 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 PARALLEL BRIDGES PER LADDER . 14 4 6 0 0 0 3 3 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 . 1 1 5 3 0 3 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 3 A T 0 0 98 0, 0.0 30,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.4 -26.9 -69.5 41.9 2 4 A R E -a 31 0A 61 28,-0.2 152,-2.6 30,-0.0 153,-1.5 -0.929 360.0-162.6-116.3 136.7 -25.6 -66.2 43.1 3 5 A I E -ab 32 155A 0 28,-2.1 30,-2.0 -2,-0.4 2,-0.4 -0.968 6.3-153.4-122.8 119.8 -26.9 -62.7 42.2 4 6 A A E -ab 33 156A 0 151,-2.1 153,-2.6 -2,-0.5 2,-0.5 -0.747 9.2-159.6 -87.2 132.3 -25.0 -59.5 42.8 5 7 A I E -ab 34 157A 0 28,-2.7 30,-2.4 -2,-0.4 2,-0.9 -0.967 7.7-146.8-118.4 123.9 -27.1 -56.3 43.3 6 8 A L E -ab 35 158A 0 151,-3.1 153,-2.2 -2,-0.5 30,-0.1 -0.768 63.7 -0.8-100.3 103.2 -25.4 -53.0 42.6 7 9 A G - 0 0 9 28,-2.7 29,-0.2 -2,-0.9 28,-0.1 0.131 58.9-127.5 98.1 145.4 -26.6 -50.3 44.9 8 10 A A + 0 0 0 32,-0.1 34,-2.6 4,-0.1 35,-0.4 -0.403 63.0 117.7-127.4 52.6 -29.2 -50.1 47.6 9 11 A G S > S- 0 0 8 150,-0.5 4,-3.2 33,-0.3 5,-0.3 -0.358 92.6 -65.3 -92.4-171.7 -31.5 -47.2 46.6 10 12 A P H > S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.867 139.5 49.8 -43.6 -45.5 -35.2 -47.7 45.9 11 13 A S H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.937 113.8 42.5 -59.2 -53.9 -34.2 -49.8 42.8 12 14 A G H > S+ 0 0 0 147,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.840 116.1 50.2 -63.9 -34.4 -31.8 -52.1 44.7 13 15 A M H X S+ 0 0 6 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.887 108.4 52.8 -67.5 -40.8 -34.2 -52.3 47.6 14 16 A A H X S+ 0 0 1 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.886 107.6 52.7 -60.0 -39.9 -37.0 -53.2 45.1 15 17 A Q H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.937 112.6 42.0 -64.4 -49.4 -34.8 -56.0 43.7 16 18 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.920 112.5 54.4 -61.3 -47.8 -34.2 -57.6 47.1 17 19 A R H X S+ 0 0 22 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.823 105.3 56.4 -55.0 -35.6 -37.8 -57.1 48.2 18 20 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.920 109.1 43.1 -63.7 -48.5 -38.8 -59.0 45.0 19 21 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.895 114.7 50.0 -66.8 -40.7 -36.8 -62.1 45.8 20 22 A Q H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.888 108.4 53.1 -65.1 -41.2 -37.9 -62.1 49.5 21 23 A S H X S+ 0 0 18 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.877 111.4 46.2 -61.5 -40.3 -41.5 -61.8 48.5 22 24 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.2 1,-0.2 3,-0.6 0.890 113.7 48.9 -66.4 -41.3 -41.1 -64.8 46.2 23 25 A Q H ><5S+ 0 0 84 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.819 105.8 57.5 -66.1 -34.0 -39.3 -66.7 49.0 24 26 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.654 102.4 56.0 -72.9 -17.6 -42.1 -65.7 51.4 25 27 A K T <<5S- 0 0 138 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.416 132.5 -88.9 -92.8 -1.3 -44.6 -67.4 49.1 26 28 A G T < 5S+ 0 0 74 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.748 80.6 137.9 101.2 31.0 -42.6 -70.7 49.2 27 29 A A < - 0 0 24 -5,-1.2 2,-0.5 -8,-0.1 -1,-0.3 -0.836 55.5-118.1-109.3 145.9 -40.1 -70.4 46.4 28 30 A E - 0 0 178 -2,-0.3 -5,-0.0 -6,-0.0 -6,-0.0 -0.724 37.4-166.0 -79.0 120.7 -36.5 -71.4 46.3 29 31 A I - 0 0 20 -2,-0.5 3,-0.1 1,-0.1 2,-0.0 -0.750 19.3-109.4-108.2 154.6 -34.4 -68.2 45.7 30 32 A P - 0 0 15 0, 0.0 -28,-0.2 0, 0.0 2,-0.1 -0.295 50.4 -79.3 -70.5 164.9 -30.7 -67.8 44.7 31 33 A E E -a 2 0A 110 -30,-2.3 -28,-2.1 1,-0.0 2,-0.4 -0.412 51.5-144.5 -61.1 139.8 -28.1 -66.4 47.1 32 34 A L E +a 3 0A 14 -30,-0.2 2,-0.4 -2,-0.1 -28,-0.2 -0.951 24.2 171.9-119.3 132.5 -28.3 -62.6 47.4 33 35 A V E -a 4 0A 9 -30,-2.0 -28,-2.7 -2,-0.4 2,-0.5 -0.990 8.9-170.1-135.5 126.0 -25.5 -60.1 47.8 34 36 A C E -ac 5 118A 0 83,-2.6 85,-3.6 -2,-0.4 2,-0.6 -0.968 7.5-155.8-121.6 119.9 -26.1 -56.3 47.6 35 37 A F E +ac 6 119A 2 -30,-2.4 -28,-2.7 -2,-0.5 2,-0.4 -0.838 14.7 175.7 -97.3 121.4 -23.2 -53.8 47.5 36 38 A E - 0 0 12 83,-2.2 86,-2.9 -2,-0.6 5,-0.0 -0.978 22.2-155.2-121.2 138.2 -23.9 -50.3 48.6 37 39 A K S S+ 0 0 54 -2,-0.4 86,-0.2 84,-0.3 -1,-0.1 0.743 74.7 73.4 -85.8 -22.6 -21.1 -47.7 48.8 38 40 A Q S S- 0 0 25 2,-0.2 83,-3.2 84,-0.1 84,-0.3 -0.220 90.6-114.1 -79.3 175.1 -22.8 -45.5 51.5 39 41 A A S S+ 0 0 65 81,-0.2 2,-0.3 82,-0.1 81,-0.1 0.647 97.7 25.8 -87.0 -15.9 -23.2 -46.4 55.2 40 42 A D S S- 0 0 45 3,-0.1 3,-0.3 6,-0.1 -2,-0.2 -0.851 86.1-101.7-138.6 170.1 -27.0 -46.7 54.9 41 43 A W S S+ 0 0 6 -2,-0.3 -32,-0.2 1,-0.1 -2,-0.1 -0.439 74.5 85.4 -91.8 169.0 -29.6 -47.4 52.2 42 44 A G > - 0 0 1 -34,-2.6 3,-2.5 -2,-0.1 -33,-0.3 0.174 61.0-150.2 128.8 -19.1 -31.9 -45.0 50.3 43 45 A G G > S+ 0 0 4 -35,-0.4 3,-0.9 1,-0.3 19,-0.2 -0.375 86.8 7.9 57.0-116.5 -29.8 -43.8 47.4 44 46 A Q G 3 S+ 0 0 33 -2,-0.2 20,-0.4 1,-0.2 -1,-0.3 0.811 131.0 61.6 -58.3 -30.8 -30.9 -40.3 46.6 45 47 A W G < S+ 0 0 33 -3,-2.5 2,-1.2 1,-0.1 -1,-0.2 0.669 78.3 88.1 -80.8 -19.8 -33.1 -40.4 49.7 46 48 A N S < S- 0 0 25 -3,-0.9 16,-0.2 -6,-0.1 2,-0.1 -0.681 80.3-142.6 -78.0 93.9 -30.2 -40.8 52.2 47 49 A Y - 0 0 38 -2,-1.2 2,-0.4 16,-0.1 18,-0.1 -0.377 21.5-175.4 -67.2 131.9 -29.4 -37.1 52.7 48 50 A T - 0 0 26 16,-0.4 -1,-0.0 2,-0.2 -2,-0.0 -0.993 30.4-149.5-127.8 137.4 -25.7 -36.1 53.1 49 51 A W S S+ 0 0 23 -2,-0.4 579,-0.2 16,-0.1 -1,-0.1 0.752 76.2 102.0 -66.3 -25.8 -24.2 -32.7 53.9 50 52 A R - 0 0 18 -3,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.164 50.9-177.2 -60.7 151.4 -21.3 -33.9 51.9 51 53 A T + 0 0 38 2,-0.3 2,-1.4 577,-0.1 448,-0.1 -0.963 56.1 12.6-146.4 158.1 -20.6 -32.8 48.3 52 54 A G S S+ 0 0 2 -2,-0.3 8,-1.9 8,-0.2 2,-0.4 -0.618 125.6 8.7 78.3 -91.7 -18.0 -33.7 45.6 53 55 A L B S-G 59 0B 11 -2,-1.4 -2,-0.3 6,-0.3 446,-0.0 -0.966 77.3-128.3-126.2 142.7 -16.4 -36.8 47.2 54 56 A D > - 0 0 10 4,-3.7 3,-1.8 -2,-0.4 561,-0.2 -0.016 43.5 -78.4 -81.1-172.9 -17.4 -38.7 50.3 55 57 A E T 3 S+ 0 0 81 1,-0.3 560,-0.2 2,-0.1 -1,-0.1 0.584 133.0 43.3 -68.2 -10.6 -15.5 -39.8 53.4 56 58 A N T 3 S- 0 0 25 2,-0.2 -1,-0.3 558,-0.1 558,-0.1 0.384 123.4-100.8-109.0 -2.6 -13.8 -42.6 51.5 57 59 A G S < S+ 0 0 3 -3,-1.8 -2,-0.1 1,-0.3 557,-0.0 0.640 78.7 135.3 87.1 16.9 -13.2 -40.6 48.3 58 60 A E - 0 0 10 1,-0.1 -4,-3.7 -21,-0.1 -1,-0.3 -0.766 69.9 -88.9 -91.2 141.8 -16.1 -42.0 46.4 59 61 A P B -G 53 0B 34 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.256 48.5-107.2 -47.3 128.0 -18.2 -39.5 44.4 60 62 A V - 0 0 4 -8,-1.9 -8,-0.2 1,-0.2 -22,-0.0 -0.471 35.5-161.4 -58.8 124.5 -21.0 -38.2 46.7 61 63 A H + 0 0 32 -2,-0.2 -1,-0.2 -3,-0.1 -17,-0.1 0.941 56.7 82.2 -80.1 -51.0 -24.1 -39.9 45.3 62 64 A S - 0 0 1 -16,-0.2 -18,-0.1 -19,-0.2 102,-0.1 -0.316 44.5-174.6 -68.2 136.3 -27.1 -38.0 46.6 63 65 A S + 0 0 11 100,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.229 49.6 123.2-104.8 8.5 -28.2 -34.8 44.8 64 66 A M - 0 0 19 -20,-0.4 -16,-0.4 -18,-0.1 2,-0.3 -0.496 43.5-161.9 -85.7 146.0 -30.8 -34.2 47.5 65 67 A Y > - 0 0 11 -2,-0.2 3,-1.3 1,-0.1 124,-0.2 -0.755 29.0 -80.2-124.1 159.2 -30.9 -31.0 49.5 66 68 A R T 3 S+ 0 0 43 122,-2.6 124,-0.2 -2,-0.3 -1,-0.1 -0.204 112.7 25.8 -51.7 149.8 -32.3 -29.6 52.8 67 69 A Y T 3 S+ 0 0 8 1,-0.2 -1,-0.2 122,-0.1 2,-0.2 0.533 83.0 156.3 71.0 9.3 -36.0 -28.6 52.7 68 70 A L < - 0 0 16 -3,-1.3 30,-3.0 29,-0.1 2,-0.3 -0.492 19.9-171.4 -67.8 131.0 -36.7 -31.0 49.8 69 71 A W B -H 97 0C 7 28,-0.3 26,-0.0 -2,-0.2 367,-0.0 -0.851 43.7 -64.4-118.6 158.8 -40.4 -32.0 49.6 70 72 A S - 0 0 2 26,-2.4 4,-0.1 -2,-0.3 -1,-0.1 -0.157 44.4-139.8 -44.3 120.8 -42.1 -34.7 47.4 71 73 A N S S+ 0 0 77 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.855 82.4 4.6 -54.3 -44.6 -41.6 -33.5 43.8 72 74 A G S S- 0 0 9 1,-0.1 2,-0.1 22,-0.1 323,-0.1 -0.523 112.6 -46.9-122.2-165.4 -45.1 -34.6 42.8 73 75 A P > - 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.457 42.0-133.9 -68.9 139.4 -48.1 -36.1 44.8 74 76 A K G >> S+ 0 0 10 20,-3.5 3,-1.9 1,-0.3 4,-1.8 0.836 106.4 69.2 -58.2 -31.7 -47.2 -38.9 47.2 75 77 A E G 34 S+ 0 0 4 1,-0.3 342,-0.4 19,-0.2 -1,-0.3 0.686 94.5 56.0 -60.0 -21.4 -50.3 -40.7 45.7 76 78 A C G <4 S+ 0 0 5 -3,-1.8 243,-0.4 1,-0.1 -1,-0.3 0.493 114.9 35.5 -90.1 -7.9 -48.3 -41.0 42.5 77 79 A L T <4 S+ 0 0 16 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.1 0.518 84.2 134.2-116.7 -12.5 -45.4 -42.9 44.1 78 80 A E < - 0 0 1 -4,-1.8 5,-0.1 1,-0.1 2,-0.1 -0.036 61.3-110.8 -44.0 131.0 -47.4 -44.9 46.7 79 81 A F > - 0 0 5 3,-0.4 3,-0.6 1,-0.1 -1,-0.1 -0.378 11.5-139.5 -67.4 145.1 -46.3 -48.5 46.8 80 82 A A T 3 S+ 0 0 22 1,-0.2 -1,-0.1 304,-0.1 3,-0.1 0.650 103.7 37.7 -78.1 -18.0 -48.7 -51.2 45.5 81 83 A D T 3 S+ 0 0 40 1,-0.3 2,-0.3 303,-0.0 -1,-0.2 0.135 123.3 38.7-119.3 15.9 -47.9 -53.6 48.3 82 84 A Y S < S- 0 0 19 -3,-0.6 -3,-0.4 4,-0.0 -1,-0.3 -0.857 74.3-155.0-171.3 123.8 -47.6 -51.1 51.1 83 85 A T > - 0 0 29 -2,-0.3 4,-2.2 -5,-0.1 5,-0.1 -0.560 29.6-120.1-111.3 168.3 -49.7 -48.0 51.7 84 86 A F H >>S+ 0 0 8 2,-0.2 4,-2.1 -2,-0.2 5,-0.6 0.857 118.5 53.2 -70.2 -36.5 -49.5 -44.6 53.3 85 87 A D H >5S+ 0 0 50 3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 110.5 48.2 -61.8 -42.7 -52.5 -45.6 55.5 86 88 A E H 45S+ 0 0 91 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.970 115.7 41.4 -59.6 -56.6 -50.6 -48.8 56.5 87 89 A H H <5S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.840 129.8 24.0 -65.7 -38.7 -47.3 -47.1 57.4 88 90 A F H <5S- 0 0 37 -4,-2.1 -3,-0.2 -5,-0.1 -1,-0.2 0.847 79.6-145.5 -99.2 -42.6 -48.6 -44.0 59.2 89 91 A G S <> -H 69 0C 0 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.200 39.0 -93.9 -69.4 163.6 -40.8 -33.7 52.9 98 100 A R H 3> S+ 0 0 20 -30,-3.0 4,-2.9 1,-0.3 5,-0.2 0.823 124.3 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1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.867 109.7 44.0 -56.2 -42.4 1.1 -11.1 32.4 887 442 B A H 4 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.846 113.4 52.3 -69.9 -35.4 0.9 -8.9 35.5 888 443 B Y H < S+ 0 0 12 -4,-1.4 -14,-0.2 1,-0.2 -2,-0.2 0.786 112.0 44.1 -72.0 -29.9 3.8 -10.9 37.2 889 444 B L H < S+ 0 0 40 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.592 102.5 77.1 -95.1 -12.0 6.2 -10.5 34.3 890 445 B S < 0 0 60 -4,-0.8 -16,-0.2 -5,-0.2 -3,-0.1 0.043 360.0 360.0 -84.7-165.6 5.6 -6.8 33.5 891 446 B D 0 0 177 -17,-0.0 -1,-0.1 260,-0.0 -2,-0.0 -0.363 360.0 360.0-130.2 360.0 6.9 -3.7 35.3 892 !* 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 0.0 893 2 C A 0 0 125 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.8 18.9 -56.5 -12.7 894 3 C T - 0 0 55 28,-0.1 30,-3.2 152,-0.1 2,-0.4 -0.684 360.0-168.6 -83.5 130.2 19.2 -53.9 -9.9 895 4 C R E -n 924 0Q 43 -2,-0.4 152,-2.3 28,-0.2 153,-1.4 -0.974 2.7-161.3-123.1 138.5 16.9 -50.9 -10.1 896 5 C I E -no 9251048Q 0 28,-2.6 30,-2.6 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1253 362 C L < + 0 0 39 -3,-1.5 3,-0.1 -4,-0.2 -3,-0.0 -0.521 27.2 149.6 -81.1 136.2 28.8 -28.1 20.0 1254 363 C V + 0 0 115 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.668 49.2 58.1-127.2 -56.6 28.3 -24.5 20.9 1255 364 C T S > S- 0 0 61 1,-0.1 4,-1.7 4,-0.0 3,-0.3 -0.505 78.4-115.6 -92.3 154.1 29.9 -21.9 18.5 1256 365 C A H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.886 118.4 53.1 -47.9 -46.6 29.4 -21.4 14.7 1257 366 C E H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 108.2 50.2 -59.1 -41.8 33.0 -22.4 14.1 1258 367 C E H > S+ 0 0 80 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.783 107.2 58.4 -65.1 -29.8 32.4 -25.6 16.1 1259 368 C M H X S+ 0 0 61 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.979 112.0 34.0 -65.7 -61.4 29.3 -26.3 13.9 1260 369 C Y H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.755 113.5 60.2 -71.6 -24.1 30.9 -26.4 10.5 1261 370 C T H X S+ 0 0 49 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.956 108.1 46.5 -63.2 -49.0 34.1 -27.9 11.7 1262 371 C Y H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.931 114.7 46.2 -53.7 -50.4 32.0 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109.1 51.3 -62.9 -32.9 40.4 -27.4 6.6 1283 392 C A H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.806 109.0 50.4 -71.0 -30.9 40.7 -24.6 4.0 1284 393 C T H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.949 108.0 52.1 -69.6 -50.2 37.0 -24.6 3.5 1285 394 C N H X S+ 0 0 23 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.889 110.7 49.0 -48.7 -44.2 36.4 -24.3 7.3 1286 395 C K H X S+ 0 0 49 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.838 108.0 53.9 -65.4 -34.5 38.8 -21.3 7.2 1287 396 C T H X S+ 0 0 7 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.863 107.4 50.9 -68.1 -35.8 36.9 -19.9 4.3 1288 397 C F H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.854 105.5 57.7 -63.7 -38.5 33.7 -20.2 6.4 1289 398 C L H X S+ 0 0 49 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.904 105.2 48.6 -59.8 -44.1 35.6 -18.3 9.2 1290 399 C E H X S+ 0 0 84 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.930 110.1 52.8 -61.2 -46.9 36.2 -15.3 6.9 1291 400 C W H X S+ 0 0 22 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.904 108.3 50.2 -52.7 -48.3 32.5 -15.4 6.0 1292 401 C K H X S+ 0 0 39 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.918 112.1 47.5 -57.3 -46.9 31.6 -15.3 9.7 1293 402 C H H X S+ 0 0 115 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 110.6 51.7 -61.4 -43.9 33.9 -12.3 10.3 1294 403 C H H X S+ 0 0 40 -4,-2.9 4,-1.6 1,-0.2 7,-0.2 0.823 109.1 51.1 -64.9 -33.3 32.6 -10.5 7.2 1295 404 C K H < S+ 0 0 11 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.941 112.7 44.1 -65.9 -49.8 29.0 -10.9 8.5 1296 405 C K H < S+ 0 0 59 -4,-2.0 -169,-0.3 1,-0.2 3,-0.3 0.809 110.6 55.1 -69.4 -32.7 29.7 -9.6 12.0 1297 406 C E H < S- 0 0 81 -4,-2.2 2,-0.2 1,-0.2 -1,-0.2 0.950 136.4 -10.6 -64.3 -51.4 31.7 -6.6 10.7 1298 407 C N >X - 0 0 62 -4,-1.6 3,-1.2 -5,-0.2 4,-1.0 -0.751 58.1-163.3-154.7 105.5 28.9 -5.4 8.4 1299 408 C I T 34 S+ 0 0 3 -3,-0.3 4,-0.1 1,-0.3 -3,-0.1 0.676 92.8 52.5 -62.4 -19.5 25.8 -7.6 7.8 1300 409 C M T 34 S+ 0 0 18 -173,-0.2 -1,-0.3 1,-0.1 3,-0.2 0.711 113.9 38.6 -88.8 -21.1 24.9 -5.5 4.8 1301 410 C T T X4 S+ 0 0 51 -3,-1.2 3,-2.6 -7,-0.2 -2,-0.2 0.428 79.4 101.7-111.4 -1.9 28.2 -5.7 2.9 1302 411 C F G >< S+ 0 0 10 -4,-1.0 3,-0.9 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- 0 0 75 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.329 36.6-113.1 -58.7 147.3 27.9 -3.5 -4.7 1323 432 C W T 34 S+ 0 0 3 1,-0.3 -22,-0.1 2,-0.2 -21,-0.0 0.857 115.3 52.0 -55.1 -44.4 25.2 -5.8 -3.4 1324 433 C I T 34 S+ 0 0 77 1,-0.2 -1,-0.3 -24,-0.1 -23,-0.0 0.804 116.0 41.7 -62.7 -29.4 22.8 -3.1 -2.2 1325 434 C D T <4 S+ 0 0 56 -3,-1.0 2,-1.7 1,-0.1 3,-0.2 0.743 90.2 91.1 -91.3 -26.9 23.0 -1.4 -5.7 1326 435 C A < + 0 0 10 -4,-2.2 -1,-0.1 1,-0.2 -5,-0.0 -0.542 43.9 156.7 -74.2 87.0 22.8 -4.6 -7.8 1327 436 C L + 0 0 95 -2,-1.7 2,-0.6 2,-0.0 -1,-0.2 0.848 47.8 87.3 -81.7 -38.0 19.0 -4.8 -8.2 1328 437 C D - 0 0 99 -3,-0.2 -3,-0.0 1,-0.2 -1,-0.0 -0.545 56.3-174.5 -67.9 111.1 19.1 -6.9 -11.3 1329 438 C D + 0 0 33 -2,-0.6 -337,-0.4 4,-0.1 -1,-0.2 0.511 42.5 116.6 -84.6 -7.4 19.1 -10.5 -10.0 1330 439 C S S > S- 0 0 20 -338,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.138 71.8-122.1 -72.7 159.3 19.5 -12.1 -13.5 1331 440 C L H > S+ 0 0 32 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.924 109.6 53.8 -61.1 -51.0 22.4 -14.2 -14.8 1332 441 C E H > S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.898 110.7 45.8 -53.5 -46.5 23.1 -11.9 -17.8 1333 442 C A H 4 S+ 0 0 30 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 116.3 45.8 -68.0 -34.7 23.4 -8.8 -15.7 1334 443 C Y H < S+ 0 0 10 -4,-1.6 -14,-0.2 1,-0.2 -2,-0.2 0.902 117.7 41.7 -73.7 -45.0 25.7 -10.6 -13.2 1335 444 C L H < S+ 0 0 41 -4,-3.3 -2,-0.2 -5,-0.1 -1,-0.2 0.608 109.0 76.3 -79.5 -13.0 27.9 -12.3 -15.8 1336 445 C S S < S- 0 0 65 -4,-1.3 2,-0.4 -5,-0.3 -16,-0.2 -0.031 89.4-103.5 -77.2-171.0 27.9 -9.0 -17.8 1337 446 C D 0 0 124 -18,-0.1 -2,-0.1 -17,-0.0 -3,-0.1 -0.987 360.0 360.0-123.1 137.6 29.9 -5.9 -17.0 1338 447 C K 0 0 227 -2,-0.4 -5,-0.0 -4,-0.1 -4,-0.0 0.124 360.0 360.0 45.0 360.0 28.6 -2.7 -15.3