==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-SEP-11 4A10 . COMPND 2 MOLECULE: OCTENOYL-COA REDUCTASE/CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR N.QUADE,L.HUO,S.RACHID,D.W.HEINZ,R.MULLER . 1686 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1171 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 100 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.6 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 7 4 4 11 6 11 0 4 8 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 13 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 PARALLEL BRIDGES PER LADDER . 5 4 13 5 4 5 3 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 4 0 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 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 S > 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 170.3 -22.9 -23.4 39.2 2 2 A S H > + 0 0 48 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.824 360.0 53.9 -63.6 -31.5 -25.1 -20.9 37.4 3 3 A L H > S+ 0 0 0 17,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.950 109.8 44.5 -66.9 -49.7 -22.0 -18.8 36.8 4 4 A S H > S+ 0 0 17 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.915 114.3 50.7 -62.7 -40.2 -20.0 -21.6 35.2 5 5 A R H X S+ 0 0 165 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.906 110.2 50.2 -61.5 -42.3 -23.0 -22.6 33.1 6 6 A A H X>S+ 0 0 15 -4,-2.1 5,-2.2 2,-0.2 4,-0.6 0.909 113.7 45.4 -61.0 -42.9 -23.4 -19.0 32.0 7 7 A V H ><5S+ 0 0 11 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.958 114.5 46.9 -66.7 -47.1 -19.7 -18.9 31.0 8 8 A L H 3<5S+ 0 0 72 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 109.6 55.5 -68.4 -26.8 -19.8 -22.2 29.3 9 9 A D H 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.562 112.3-116.4 -79.3 -10.1 -23.0 -21.2 27.4 10 10 A G T <<5 + 0 0 68 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.868 51.9 178.5 73.0 38.6 -21.5 -18.0 25.9 11 11 A A < - 0 0 20 -5,-2.2 -1,-0.1 1,-0.1 2,-0.0 -0.080 30.5 -90.3 -69.2 168.5 -23.9 -15.8 27.8 12 12 A S > - 0 0 52 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.315 35.5-105.8 -78.6 163.5 -24.0 -12.0 27.8 13 13 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.885 123.5 55.9 -51.2 -43.6 -22.0 -9.7 30.1 14 14 A A H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.972 106.3 48.3 -52.0 -60.7 -25.4 -9.0 31.8 15 15 A E H > S+ 0 0 114 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.839 111.1 52.6 -50.2 -37.6 -26.1 -12.7 32.4 16 16 A I H >< S+ 0 0 3 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.906 110.0 44.7 -71.9 -43.2 -22.6 -13.2 33.9 17 17 A E H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.641 110.4 57.2 -77.0 -11.4 -22.8 -10.4 36.4 18 18 A A H 3< S+ 0 0 81 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.677 91.3 85.6 -83.3 -18.4 -26.3 -11.6 37.4 19 19 A A S << S- 0 0 9 -4,-0.8 -4,-0.0 -3,-0.5 0, 0.0 -0.720 87.3-115.4 -89.7 126.3 -24.9 -15.1 38.2 20 20 A P - 0 0 87 0, 0.0 -17,-0.4 0, 0.0 -1,-0.1 -0.232 20.2-119.0 -62.1 144.4 -23.6 -15.4 41.8 21 21 A V - 0 0 53 -4,-0.1 36,-0.0 -18,-0.1 2,-0.0 -0.718 35.1-122.0 -76.6 129.0 -19.9 -16.1 42.5 22 22 A P - 0 0 32 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.359 8.5-130.4 -70.4 155.9 -19.6 -19.4 44.4 23 23 A D S S+ 0 0 133 33,-0.1 34,-2.4 -2,-0.0 2,-0.3 0.569 89.9 27.1 -88.1 -7.0 -17.9 -19.4 47.8 24 24 A T E -A 56 0A 56 32,-0.3 2,-0.3 30,-0.0 30,-0.1 -0.966 68.0-170.1-140.5 162.7 -15.6 -22.3 46.9 25 25 A Y E -A 55 0A 0 30,-2.0 30,-2.4 -2,-0.3 2,-0.4 -0.974 31.9 -94.1-149.9 163.6 -14.1 -23.7 43.7 26 26 A L E +A 54 0A 49 -2,-0.3 149,-2.5 28,-0.2 150,-0.3 -0.633 51.6 165.4 -84.6 131.2 -12.2 -26.8 42.4 27 27 A A E -AB 53 174A 0 26,-2.4 26,-1.8 -2,-0.4 2,-0.6 -1.000 43.1-122.1-151.7 141.5 -8.5 -26.3 42.4 28 28 A L E +A 52 0A 3 145,-3.2 85,-1.6 -2,-0.3 2,-0.3 -0.772 58.1 153.6 -81.3 122.6 -5.2 -28.2 42.0 29 29 A H E -AC 51 112A 19 22,-3.1 22,-2.9 -2,-0.6 2,-0.3 -0.897 43.1-122.2-151.5 171.7 -3.4 -27.3 45.2 30 30 A L E - C 0 111A 0 81,-1.7 81,-2.2 -2,-0.3 2,-0.5 -0.872 23.1-133.9-119.5 153.1 -0.9 -28.0 48.0 31 31 A R E > - C 0 110A 66 -2,-0.3 3,-1.9 18,-0.3 79,-0.2 -0.926 9.0-140.4-112.3 131.0 -1.4 -28.2 51.7 32 32 A A G > S+ 0 0 38 77,-2.8 3,-1.9 -2,-0.5 4,-0.2 0.878 101.1 64.3 -53.0 -41.1 0.9 -26.4 54.2 33 33 A E G 3 S+ 0 0 136 76,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.666 99.5 55.8 -61.3 -15.1 0.8 -29.4 56.6 34 34 A D G X S+ 0 0 19 -3,-1.9 3,-2.1 1,-0.2 -1,-0.3 0.363 70.3 107.6 -96.8 1.4 2.6 -31.5 53.9 35 35 A A T < S+ 0 0 32 -3,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.658 83.1 45.5 -60.1 -18.3 5.7 -29.4 53.3 36 36 A D T > S+ 0 0 115 -3,-0.3 3,-1.9 -4,-0.2 -1,-0.3 0.323 80.6 104.9-105.0 3.1 8.0 -31.8 55.0 37 37 A M T < S+ 0 0 65 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.695 77.5 52.2 -67.3 -22.2 6.7 -35.0 53.4 38 38 A F T > S+ 0 0 10 -3,-0.2 3,-1.6 -4,-0.2 2,-0.5 0.214 73.0 135.1 -99.7 15.6 9.6 -35.5 51.1 39 39 A K T < S+ 0 0 84 -3,-1.9 3,-0.1 1,-0.3 -3,-0.1 -0.532 84.4 4.8 -61.7 112.5 12.2 -35.3 53.8 40 40 A G T 3 S+ 0 0 89 -2,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.284 101.9 127.9 96.8 -8.4 14.5 -38.2 53.0 41 41 A V < - 0 0 62 -3,-1.6 -1,-0.3 1,-0.1 3,-0.2 -0.637 43.9-162.8 -93.0 139.3 12.9 -39.2 49.8 42 42 A A S S+ 0 0 105 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.939 84.9 45.0 -81.7 -58.0 14.7 -39.7 46.4 43 43 A D S S- 0 0 87 1,-0.1 2,-2.0 2,-0.0 -1,-0.2 -0.815 73.2-161.0 -90.7 102.1 11.8 -39.6 44.0 44 44 A K - 0 0 43 -2,-1.0 2,-0.4 -3,-0.2 5,-0.1 -0.539 16.5-157.3 -81.3 73.1 9.7 -36.6 45.1 45 45 A D >> - 0 0 16 -2,-2.0 3,-2.0 1,-0.2 4,-0.6 -0.378 10.5-152.1 -62.0 111.6 6.6 -37.9 43.2 46 46 A V H 3> S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.3 3,-0.4 0.728 91.6 69.3 -57.3 -25.4 4.4 -34.9 42.6 47 47 A R H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 329,-0.1 0.747 94.1 58.6 -67.9 -20.9 1.3 -37.2 42.5 48 48 A K H <4 S+ 0 0 119 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.838 114.7 31.6 -74.6 -35.9 1.8 -37.7 46.3 49 49 A S H < S+ 0 0 0 -4,-0.6 -18,-0.3 -3,-0.4 -2,-0.2 0.793 94.6 96.6 -92.2 -34.1 1.5 -34.0 47.3 50 50 A L < - 0 0 12 -4,-2.2 2,-0.4 -20,-0.1 -20,-0.2 -0.397 53.5-168.1 -67.9 128.5 -0.9 -32.6 44.7 51 51 A R E -A 29 0A 82 -22,-2.9 -22,-3.1 -2,-0.2 2,-0.5 -0.909 14.4-156.2-115.2 144.3 -4.5 -32.4 45.9 52 52 A L E +A 28 0A 68 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.967 46.2 110.5-116.4 114.0 -7.7 -31.7 43.8 53 53 A G E -A 27 0A 21 -26,-1.8 -26,-2.4 -2,-0.5 2,-0.3 -0.905 66.7 -60.1-161.4-172.6 -10.5 -30.3 46.0 54 54 A E E -A 26 0A 110 -2,-0.3 -28,-0.2 -28,-0.2 -30,-0.0 -0.665 45.3-174.1 -89.3 137.5 -12.6 -27.3 46.9 55 55 A V E -A 25 0A 3 -30,-2.4 -30,-2.0 -2,-0.3 0, 0.0 -0.970 32.5 -93.2-131.9 145.8 -11.0 -24.1 48.2 56 56 A P E -A 24 0A 71 0, 0.0 -32,-0.3 0, 0.0 -33,-0.1 -0.279 38.3-121.3 -57.7 139.0 -12.5 -20.9 49.6 57 57 A M - 0 0 34 -34,-2.4 2,-0.1 -36,-0.0 -36,-0.0 -0.716 29.8-135.0 -80.8 125.7 -13.1 -18.0 47.1 58 58 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.395 21.2 -98.5 -80.3 161.4 -11.2 -14.9 48.1 59 59 A E - 0 0 139 -2,-0.1 2,-0.5 1,-0.1 46,-0.1 -0.524 44.0-114.3 -67.3 142.7 -12.5 -11.3 48.1 60 60 A L - 0 0 45 -2,-0.2 -1,-0.1 4,-0.1 64,-0.1 -0.707 23.5-135.1 -87.3 125.8 -11.4 -9.4 45.0 61 61 A A > - 0 0 1 -2,-0.5 3,-1.8 64,-0.1 64,-0.2 -0.324 30.8-101.2 -70.2 162.8 -9.0 -6.4 45.4 62 62 A P T 3 S+ 0 0 4 0, 0.0 65,-2.3 0, 0.0 66,-0.2 0.756 121.8 40.2 -58.4 -30.0 -9.7 -3.1 43.5 63 63 A D T 3 S+ 0 0 33 64,-0.1 118,-2.3 63,-0.1 119,-0.3 0.164 101.8 100.5-107.2 16.1 -7.2 -3.8 40.7 64 64 A E E < -D 180 0B 1 -3,-1.8 61,-2.9 116,-0.2 2,-0.4 -0.633 54.8-149.8-106.8 162.2 -7.9 -7.5 40.4 65 65 A V E -DE 179 124B 0 114,-2.9 114,-2.2 59,-0.2 2,-0.7 -0.997 12.0-139.7-133.5 128.3 -10.0 -9.7 38.0 66 66 A L E -DE 178 123B 8 57,-1.8 56,-2.8 -2,-0.4 57,-1.4 -0.800 27.4-164.3 -86.7 118.8 -11.8 -13.0 38.7 67 67 A V E -DE 177 121B 0 110,-3.2 110,-2.4 -2,-0.7 2,-0.9 -0.920 20.3-139.2-111.6 125.7 -11.2 -15.2 35.7 68 68 A A E -DE 176 120B 0 52,-2.8 52,-1.8 -2,-0.5 2,-0.4 -0.783 33.9-135.3 -78.4 105.2 -13.2 -18.3 34.9 69 69 A V E + E 0 119B 0 106,-1.4 326,-2.0 -2,-0.9 50,-0.2 -0.482 31.1 175.9 -76.4 122.7 -10.3 -20.5 33.7 70 70 A M E - 0 0 7 48,-2.4 324,-2.2 1,-0.4 326,-1.4 0.871 69.3 -6.3 -87.8 -39.8 -11.0 -22.5 30.6 71 71 A A E +FE 393 118B 0 47,-1.6 47,-2.3 322,-0.3 -1,-0.4 -0.981 59.9 176.7-156.7 152.0 -7.6 -24.0 30.2 72 72 A S E -FE 392 117B 0 320,-3.0 320,-2.4 -2,-0.3 2,-0.3 -0.579 17.8-131.2-138.7-163.8 -4.1 -23.9 31.8 73 73 A S E -F 391 0B 0 43,-0.5 2,-0.4 318,-0.3 42,-0.3 -0.975 20.3-104.1-153.9 163.2 -0.8 -25.7 31.4 74 74 A I - 0 0 5 316,-2.1 316,-0.4 -2,-0.3 2,-0.3 -0.783 37.6-178.7 -91.4 135.6 2.0 -27.4 33.4 75 75 A N >> - 0 0 2 -2,-0.4 4,-1.3 314,-0.1 3,-0.8 -0.887 41.5-108.5-124.8 162.6 5.2 -25.4 33.9 76 76 A Y H 3> S+ 0 0 76 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.802 118.4 61.2 -62.7 -27.8 8.4 -26.4 35.7 77 77 A N H 3> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.818 101.5 54.6 -68.9 -26.7 7.6 -24.0 38.6 78 78 A T H <> S+ 0 0 1 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.894 108.9 47.2 -64.8 -43.8 4.4 -26.1 39.1 79 79 A V H X S+ 0 0 7 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.942 111.6 50.3 -64.6 -47.1 6.6 -29.3 39.4 80 80 A W H <>S+ 0 0 126 -4,-2.4 5,-2.8 1,-0.2 4,-0.2 0.863 109.3 51.5 -59.6 -41.5 9.0 -27.6 41.8 81 81 A S H ><5S+ 0 0 1 -4,-1.9 3,-1.9 1,-0.2 8,-0.3 0.922 107.5 51.6 -58.5 -50.5 6.2 -26.4 44.0 82 82 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.739 110.3 50.3 -62.4 -21.8 4.7 -29.9 44.2 83 83 A M T 3<5S- 0 0 31 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.478 108.9-127.3 -88.6 -4.1 8.2 -31.1 45.2 84 84 A F T < 5 - 0 0 13 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.813 54.5-171.0 53.0 35.0 8.4 -28.4 47.9 85 85 A E < - 0 0 72 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.2 -0.823 47.5 -11.4-117.6 149.4 11.7 -27.5 46.2 86 86 A P S S- 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.928 143.0 -10.1 -76.4 -17.3 14.0 -25.8 46.7 87 87 A I S S- 0 0 76 -2,-0.1 -2,-0.1 -7,-0.0 -3,-0.1 -0.975 87.4 -94.1-131.6 141.3 11.9 -24.1 49.5 88 88 A P >> - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.289 31.7-123.3 -54.4 141.3 8.1 -24.8 50.0 89 89 A T H 3> S+ 0 0 0 -8,-0.3 4,-1.9 1,-0.3 3,-0.4 0.735 105.8 78.8 -60.9 -18.5 6.0 -22.2 48.2 90 90 A F H 3> S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.809 86.1 58.4 -62.0 -26.8 4.5 -21.4 51.6 91 91 A H H <> S+ 0 0 98 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.911 106.9 47.6 -66.7 -39.6 7.6 -19.4 52.5 92 92 A F H X S+ 0 0 34 -4,-0.6 4,-2.9 -3,-0.4 -2,-0.2 0.878 109.2 53.6 -65.5 -40.9 6.9 -17.2 49.4 93 93 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.872 109.7 47.2 -62.0 -39.7 3.2 -16.8 50.4 94 94 A K H X S+ 0 0 117 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.894 112.0 50.0 -71.6 -41.2 4.1 -15.6 53.9 95 95 A Q H >< S+ 0 0 101 -4,-2.0 3,-0.7 2,-0.2 4,-0.4 0.948 110.5 51.0 -56.9 -49.0 6.7 -13.2 52.5 96 96 A N H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.959 109.2 51.3 -47.1 -55.4 4.0 -11.9 50.1 97 97 A A H >< S+ 0 0 14 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.684 89.7 77.4 -63.5 -22.7 1.5 -11.4 53.0 98 98 A R T << S+ 0 0 195 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.721 80.5 71.4 -63.3 -18.8 4.0 -9.3 55.1 99 99 A Q T < S- 0 0 64 -3,-1.8 -1,-0.3 -4,-0.4 458,-0.2 0.753 95.4-156.0 -62.5 -26.6 3.2 -6.4 52.8 100 100 A G X + 0 0 27 -3,-2.0 3,-1.6 -4,-0.2 -1,-0.2 -0.237 54.1 69.3 76.9-168.5 -0.2 -6.3 54.5 101 101 A G G > S- 0 0 65 1,-0.3 3,-1.5 2,-0.2 4,-0.2 -0.319 121.8 -8.2 53.7-134.4 -3.4 -4.8 53.1 102 102 A W G > S+ 0 0 74 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.725 126.2 73.4 -67.0 -22.5 -4.7 -7.0 50.2 103 103 A A G X S+ 0 0 10 -3,-1.6 3,-1.2 1,-0.2 4,-0.3 0.667 78.0 76.1 -65.6 -18.6 -1.5 -9.2 50.1 104 104 A T G X S+ 0 0 76 -3,-1.5 3,-1.6 1,-0.2 -1,-0.2 0.810 79.3 72.7 -65.3 -26.3 -2.5 -11.0 53.3 105 105 A R G < S+ 0 0 29 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 86.6 66.1 -56.0 -28.2 -5.1 -13.0 51.4 106 106 A H G < S+ 0 0 5 -3,-1.2 2,-1.1 -4,-0.2 -1,-0.3 0.685 80.0 84.2 -69.3 -23.1 -2.2 -15.0 49.8 107 107 A D < + 0 0 62 -3,-1.6 -1,-0.1 -4,-0.3 4,-0.1 -0.754 61.6 140.1 -88.5 100.2 -1.1 -16.6 53.1 108 108 A Q - 0 0 61 -2,-1.1 -15,-0.1 2,-0.3 -14,-0.1 -0.861 67.3-110.3-129.6 164.8 -3.4 -19.7 53.4 109 109 A P S S+ 0 0 91 0, 0.0 -77,-2.8 0, 0.0 -76,-0.4 0.502 106.9 54.6 -71.8 -1.4 -3.0 -23.3 54.6 110 110 A Y E S-C 31 0A 21 -79,-0.2 2,-0.4 -78,-0.1 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112.5 44.2 -71.5 -30.4 3.1 -12.6 17.0 356 375 A F H ><5S+ 0 0 8 -4,-1.2 3,-0.8 -3,-0.2 -2,-0.2 0.858 109.2 59.2 -76.6 -33.8 0.6 -15.3 18.0 357 376 A E H 3<5S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.855 110.7 39.5 -64.8 -36.6 -2.2 -13.1 16.7 358 377 A S T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.455 112.7-117.9 -89.8 -3.6 -0.8 -12.9 13.2 359 378 A G T < 5S+ 0 0 20 -3,-0.8 -3,-0.2 2,-0.2 -2,-0.1 0.636 76.1 131.4 71.5 14.5 0.2 -16.6 13.3 360 379 A A S -i 393 0B 56 0, 0.0 3,-1.8 0, 0.0 24,-0.2 -0.442 35.3-107.1 -71.3 160.3 -8.5 -32.8 32.0 371 390 A L G > S+ 0 0 12 22,-1.3 3,-1.9 23,-0.3 4,-0.3 0.850 119.0 66.7 -58.1 -34.3 -8.2 -31.1 35.4 372 391 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.3 22,-0.1 3,-0.2 0.768 109.5 37.4 -53.1 -30.4 -9.2 -34.4 37.0 373 392 A E G <> S+ 0 0 102 -3,-1.8 4,-1.4 1,-0.1 3,-0.3 0.046 79.9 116.9-111.0 24.6 -5.8 -35.8 35.7 374 393 A A H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.818 71.3 59.6 -66.4 -29.6 -3.7 -32.7 36.2 375 394 A A H > S+ 0 0 25 -4,-0.3 4,-2.2 1,-0.2 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-6,-0.2 41,-0.4 0.378 49.9 87.0 -95.9 3.3 8.3 -37.6 28.9 386 405 A Q B -V 424 0E 15 -6,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.614 61.3-151.3-100.7 159.6 6.9 -34.6 27.0 387 406 A V S S- 0 0 0 36,-0.5 -156,-0.2 -2,-0.2 -21,-0.2 -0.917 72.2 -18.8-116.2 148.1 7.9 -32.6 24.0 388 407 A G S S- 0 0 2 -158,-3.6 -156,-0.4 -2,-0.3 2,-0.4 -0.250 114.3 -16.7 58.4-128.2 6.7 -28.9 23.9 389 408 A K E - i 0 365B 6 -25,-3.1 -23,-2.7 -158,-0.1 -22,-1.1 -0.935 47.4-146.3-123.3 137.4 3.8 -28.0 26.2 390 409 A V E - i 0 367B 1 -2,-0.4 -316,-2.1 -316,-0.4 2,-0.2 -0.867 22.6-156.1 -97.2 122.6 1.2 -30.0 28.1 391 410 A A E -Fi 73 368B 0 -24,-2.6 -22,-2.1 -2,-0.6 2,-0.4 -0.605 3.0-149.8 -95.2 156.5 -2.2 -28.3 28.4 392 411 A V E -Fi 72 369B 0 -320,-2.4 -320,-3.0 -2,-0.2 2,-0.5 -0.988 10.7-138.5-128.1 124.1 -4.8 -28.8 31.1 393 412 A L E +Fi 71 370B 14 -24,-2.8 -22,-1.3 -2,-0.4 -322,-0.3 -0.686 28.7 170.9 -74.8 128.6 -8.6 -28.3 30.5 394 413 A C S S- 0 0 18 -324,-2.2 -23,-0.3 -2,-0.5 -324,-0.2 0.713 73.5 -9.2-102.6 -89.7 -10.0 -26.6 33.5 395 414 A M S S+ 0 0 13 -326,-2.0 -325,-0.2 -221,-0.2 -324,-0.1 0.810 108.5 102.0 -83.7 -30.4 -13.7 -25.4 33.1 396 415 A A - 0 0 4 -326,-1.4 3,-0.1 -327,-0.2 -327,-0.0 -0.344 65.8-152.7 -47.1 118.4 -13.7 -26.2 29.3 397 416 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.642 70.0 7.7 -81.2 -11.3 -15.6 -29.6 29.2 398 417 A E S > S- 0 0 110 -28,-0.0 3,-0.7 0, 0.0 -3,-0.0 -0.981 84.2 -86.9-157.0 165.3 -13.8 -30.7 26.0 399 418 A Q T 3 S+ 0 0 121 -2,-0.3 -31,-0.0 1,-0.2 -6,-0.0 -0.281 98.8 41.3 -67.9 156.1 -11.0 -29.9 23.5 400 419 A G T 3 S+ 0 0 46 1,-0.3 3,-0.4 2,-0.0 -1,-0.2 0.484 79.8 130.1 88.9 4.3 -11.6 -27.6 20.5 401 420 A L < + 0 0 57 -3,-0.7 -208,-2.1 1,-0.2 -1,-0.3 -0.494 46.1 45.1 -86.3 160.4 -13.6 -25.0 22.2 402 421 A G + 0 0 17 1,-0.3 2,-0.7 -210,-0.2 -211,-0.2 0.438 59.3 142.8 95.2 5.1 -13.1 -21.2 22.1 403 422 A V + 0 0 40 -3,-0.4 -1,-0.3 1,-0.2 -213,-0.2 -0.684 11.8 164.8 -76.8 115.8 -12.4 -20.4 18.5 404 423 A T S S+ 0 0 86 -215,-2.4 -214,-0.2 -2,-0.7 -1,-0.2 0.402 71.8 51.5-113.3 -2.5 -14.0 -17.1 17.8 405 424 A D > + 0 0 56 -216,-1.5 4,-2.0 -217,-0.1 3,-0.3 -0.580 61.6 159.9-124.2 72.2 -12.2 -16.4 14.5 406 425 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.827 71.1 59.0 -65.5 -28.7 -12.7 -19.7 12.5 407 426 A D H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.918 109.0 43.5 -64.0 -43.8 -12.0 -18.0 9.1 408 427 A L H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.921 111.1 55.3 -65.3 -44.7 -8.5 -17.0 10.2 409 428 A R H X S+ 0 0 24 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 109.5 47.1 -52.4 -48.9 -7.9 -20.4 11.8 410 429 A A H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.5 55.1 -65.4 -35.8 -8.7 -22.1 8.5 411 430 A R H < S+ 0 0 177 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.3 42.1 -63.6 -37.8 -6.4 -19.7 6.6 412 431 A L H < S- 0 0 53 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.847 115.9-115.5 -77.9 -35.6 -3.5 -20.6 8.8 413 432 A G X - 0 0 24 -4,-2.4 4,-1.7 -5,-0.2 5,-0.1 0.443 2.5-123.8 100.2 118.9 -4.2 -24.4 8.9 414 433 A E T 4 S+ 0 0 122 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.808 116.8 53.2 -61.5 -27.5 -5.2 -26.4 12.0 415 434 A D T >4 S+ 0 0 86 2,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.888 105.9 50.7 -71.5 -41.7 -2.1 -28.5 11.2 416 435 A R T 34 S+ 0 0 54 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.811 107.3 55.6 -64.5 -30.3 0.2 -25.5 11.1 417 436 A L T 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.604 113.6 41.0 -77.9 -13.5 -1.2 -24.4 14.5 418 437 A N X + 0 0 18 -3,-1.0 3,-1.7 -4,-0.4 -1,-0.2 -0.458 59.9 153.7-135.1 59.9 -0.3 -27.8 16.1 419 438 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.808 79.0 50.7 -63.4 -26.5 3.1 -29.0 14.8 420 439 A L T > S+ 0 0 0 -57,-0.3 3,-1.8 -55,-0.3 -33,-0.1 0.228 77.2 146.9 -95.1 12.9 3.7 -31.0 18.0 421 440 A R T < S- 0 0 210 -3,-1.7 -55,-0.1 1,-0.3 -54,-0.1 -0.284 75.5 -4.1 -57.8 122.2 0.4 -32.8 17.9 422 441 A G T 3 S+ 0 0 65 -56,-0.9 -1,-0.3 1,-0.2 2,-0.2 0.380 97.6 138.1 80.6 -1.7 0.7 -36.4 19.3 423 442 A L < + 0 0 58 -3,-1.8 -36,-0.5 -57,-0.0 2,-0.3 -0.514 26.7 179.6 -86.3 143.4 4.4 -36.3 19.8 424 443 A T B -V 386 0E 76 -2,-0.2 -38,-0.2 2,-0.2 -164,-0.1 -0.815 37.1-121.2-132.0 172.5 6.2 -37.6 22.9 425 444 A A 0 0 12 -40,-2.0 -168,-0.2 -2,-0.3 -169,-0.2 0.425 360.0 360.0 -95.2 0.0 9.8 -38.0 24.2 426 445 A T 0 0 85 -41,-0.4 -2,-0.2 -170,-0.1 -172,-0.0 -0.832 360.0 360.0-129.2 360.0 9.7 -41.8 24.5 427 !* 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 0.0 428 1 B S > 0 0 68 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 179.2 -11.1 23.8 57.7 429 2 B S H > + 0 0 59 2,-0.2 4,-1.9 1,-0.2 17,-0.1 0.798 360.0 55.2 -66.5 -31.6 -10.4 21.4 60.5 430 3 B L H > S+ 0 0 0 17,-0.4 4,-2.2 2,-0.2 5,-0.2 0.933 108.4 44.4 -68.7 -48.2 -8.4 19.3 58.0 431 4 B S H > S+ 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.927 113.1 53.0 -64.0 -39.2 -6.1 22.1 56.8 432 5 B R H X S+ 0 0 148 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 110.1 48.2 -61.1 -39.3 -5.6 23.1 60.5 433 6 B A H <>S+ 0 0 10 -4,-1.9 5,-3.2 2,-0.2 4,-0.4 0.851 113.0 46.9 -67.4 -39.3 -4.6 19.5 61.3 434 7 B V H ><5S+ 0 0 9 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.931 114.5 47.3 -67.6 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10.8 59.2 445 18 B A H < S+ 0 0 81 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.798 90.3 87.7 -80.7 -32.2 -10.9 12.1 61.7 446 19 B A S < S- 0 0 11 -4,-1.6 2,-0.1 -3,-0.1 -4,-0.0 -0.542 86.2-114.9 -71.6 133.6 -11.1 15.6 60.2 447 20 B P - 0 0 91 0, 0.0 -17,-0.4 0, 0.0 -18,-0.2 -0.407 20.3-117.0 -76.8 144.0 -13.7 15.8 57.4 448 21 B V - 0 0 47 -2,-0.1 36,-0.0 -18,-0.1 2,-0.0 -0.626 38.3-118.1 -75.1 127.9 -12.8 16.5 53.8 449 22 B P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 35,-0.1 -0.303 9.2-125.4 -72.4 158.4 -14.4 19.8 52.7 450 23 B D S S+ 0 0 147 33,-0.1 34,-2.5 1,-0.0 2,-0.3 0.756 91.3 14.3 -73.4 -32.0 -17.0 20.1 49.9 451 24 B T E -W 483 0F 60 32,-0.3 2,-0.3 30,-0.0 30,-0.1 -0.891 67.8-161.8-135.5 171.0 -15.0 22.7 48.0 452 25 B Y E -W 482 0F 1 30,-2.1 30,-2.3 -2,-0.3 2,-0.4 -0.992 30.7 -92.7-156.0 158.8 -11.5 24.1 48.0 453 26 B L E +W 481 0F 51 -2,-0.3 149,-2.3 28,-0.2 2,-0.3 -0.564 50.8 168.0 -82.1 126.3 -9.6 27.1 46.8 454 27 B A E -WX 480 601F 0 26,-2.7 26,-1.8 -2,-0.4 2,-0.6 -0.996 41.4-126.0-144.7 139.4 -7.9 26.6 43.4 455 28 B L E +W 479 0F 4 145,-2.8 85,-1.3 -2,-0.3 2,-0.3 -0.782 57.2 152.5 -77.6 118.8 -6.2 28.6 40.6 456 29 B H E -WY 478 539F 18 22,-2.8 22,-2.3 -2,-0.6 2,-0.3 -0.901 43.1-123.2-149.2 168.2 -8.3 27.6 37.6 457 30 B L E - Y 0 538F 0 81,-1.9 81,-2.2 -2,-0.3 2,-0.4 -0.771 24.4-128.3-113.6 161.4 -9.6 28.5 34.2 458 31 B R E > - Y 0 537F 66 18,-0.3 3,-1.2 -2,-0.3 4,-0.2 -0.937 8.4-139.1-112.2 135.5 -13.2 28.6 33.0 459 32 B A G > S+ 0 0 38 77,-3.2 3,-1.9 -2,-0.4 4,-0.2 0.884 101.4 62.6 -55.0 -42.5 -14.4 26.8 29.9 460 33 B E G 3 S+ 0 0 152 76,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.734 98.8 56.1 -57.9 -25.9 -16.6 29.8 28.9 461 34 B D G X S+ 0 0 22 -3,-1.2 3,-2.8 1,-0.2 -1,-0.3 0.460 71.1 109.7 -85.2 -3.7 -13.4 32.0 28.5 462 35 B A T < S+ 0 0 23 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.712 82.6 43.0 -49.0 -27.4 -11.7 29.7 26.0 463 36 B D T > S+ 0 0 119 -3,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.401 80.9 105.9 -99.8 1.9 -12.2 32.2 23.1 464 37 B M T < S+ 0 0 69 -3,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.656 79.5 48.5 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57.7-115.1 -83.9-177.6 30.4 16.4 32.1 674 247 B I E -g 650 0I 57 -25,-2.5 -23,-2.5 -2,-0.1 2,-0.2 -0.911 28.1-157.3-128.5 100.1 31.4 19.9 30.8 675 248 B P E -g 651 0I 8 0, 0.0 20,-0.5 0, 0.0 2,-0.5 -0.544 8.5-168.7 -80.3 138.4 28.5 22.3 30.5 676 249 B V E -g 652 0I 0 -25,-2.4 -23,-3.0 -2,-0.2 2,-0.3 -0.969 18.1-154.6-126.0 112.8 28.7 25.3 28.2 677 250 B A E -gi 653 696I 0 18,-2.4 20,-3.5 -2,-0.5 2,-0.5 -0.626 9.6-151.6 -92.7 143.6 25.8 27.7 28.8 678 251 B V E + i 0 697I 4 -25,-2.3 -22,-1.8 -2,-0.3 -23,-0.3 -0.979 25.3 167.6-111.7 124.5 24.2 30.2 26.4 679 252 B V E - i 0 698I 6 18,-2.1 20,-3.2 -2,-0.5 21,-0.3 -0.869 32.7-147.1-128.8 164.8 22.6 33.2 28.1 680 253 B S S S+ 0 0 66 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.445 74.1 37.4-115.0 -2.1 21.3 36.5 26.8 681 254 B S S > S- 0 0 27 1,-0.1 4,-2.9 18,-0.0 5,-0.2 -0.970 76.6-111.1-146.6 163.7 22.0 38.9 29.7 682 255 B A H > S+ 0 0 74 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.920 120.1 47.9 -53.0 -49.1 24.5 39.9 32.4 683 256 B Q H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.827 111.3 49.2 -64.6 -36.2 21.9 38.7 35.0 684 257 B K H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.905 109.8 52.2 -69.5 -41.2 21.3 35.4 33.3 685 258 B E H X S+ 0 0 55 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.886 107.9 52.7 -56.3 -39.9 25.1 34.9 33.0 686 259 B A H X S+ 0 0 49 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.881 106.4 53.4 -66.0 -38.4 25.2 35.5 36.8 687 260 B A H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.924 108.9 47.0 -62.0 -46.8 22.6 32.9 37.4 688 261 B V H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 3,-0.3 0.847 110.1 53.5 -69.1 -31.3 24.4 30.1 35.5 689 262 B R H ><5S+ 0 0 112 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.888 102.4 58.7 -67.2 -40.1 27.7 31.0 37.3 690 263 B A H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.748 105.0 50.6 -55.8 -27.9 25.9 30.6 40.6 691 264 B L T 3<5S- 0 0 21 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.436 128.0-102.9 -91.5 -1.2 25.1 27.0 39.5 692 265 B G T < 5S+ 0 0 29 -3,-1.6 2,-0.9 1,-0.3 -3,-0.2 0.714 74.7 140.6 91.0 21.5 28.8 26.5 38.7 693 266 B C < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.873 16.1 167.8 -93.5 106.2 28.8 26.8 35.0 694 267 B D + 0 0 103 -2,-0.9 2,-0.9 -19,-0.2 -1,-0.2 0.642 56.8 81.8 -94.0 -18.8 31.9 28.8 34.2 695 268 B L + 0 0 36 -20,-0.5 -18,-2.4 -3,-0.1 2,-0.4 -0.810 66.5 169.9 -86.5 107.1 31.9 28.2 30.5 696 269 B V E -i 677 0I 6 -2,-0.9 2,-0.5 -20,-0.2 -18,-0.2 -0.981 23.2-167.2-130.4 126.1 29.4 30.9 29.3 697 270 B I E -i 678 0I 7 -20,-3.5 -18,-2.1 -2,-0.4 2,-0.5 -0.953 18.8-138.2-111.2 127.3 28.5 32.1 25.8 698 271 B N E > -i 679 0I 38 -2,-0.5 3,-1.7 -20,-0.2 -18,-0.2 -0.737 9.8-139.0 -85.0 127.1 26.5 35.3 25.4 699 272 B R T 3> S+ 0 0 88 -20,-3.2 4,-0.7 -2,-0.5 -19,-0.2 0.735 89.0 88.4 -53.2 -25.6 23.8 35.1 22.7 700 273 B A T 34 + 0 0 89 -21,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.664 62.3 87.2 -57.4 -21.2 24.7 38.6 21.5 701 274 B E T <4 S- 0 0 118 -3,-1.7 2,-0.6 1,-0.1 -1,-0.2 -0.622 123.4 -40.7 -75.9 79.8 27.4 37.3 19.1 702 275 B L T 4 0 0 60 -2,-1.9 -2,-0.1 1,-0.1 -3,-0.1 -0.627 360.0 360.0 112.6 -68.2 24.8 36.8 16.3 703 276 B G < 0 0 68 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