==== 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 07-AUG-01 1JQI . COMPND 2 MOLECULE: SHORT CHAIN ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.P.BATTAILE,J.MOLIN-CASE,R.PASCHKE,M.WANG,D.BENNETT,J.VOCKL . 768 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 35 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.0 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 0 0 6 1 0 3 0 2 0 2 0 2 2 0 0 0 0 0 0 0 0 2 0 0 2 2 RESIDUES PER ALPHA HELIX . 2 0 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 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 2 0 0 2 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 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 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 4 A V 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.9 -65.0 88.9 28.4 2 5 A Y - 0 0 35 293,-0.0 2,-0.5 2,-0.0 289,-0.0 -0.987 360.0-132.4-134.9 144.5 -63.6 90.9 31.4 3 6 A Q - 0 0 191 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.866 20.8-171.7-105.4 126.4 -65.4 93.4 33.6 4 7 A S - 0 0 33 -2,-0.5 3,-0.2 1,-0.2 -2,-0.0 -0.757 27.3-116.4-109.9 158.2 -63.9 96.8 34.4 5 8 A V S S- 0 0 132 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.925 82.8 -26.9 -57.5 -99.9 -65.1 99.4 37.0 6 9 A E - 0 0 165 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.800 67.5-174.4-127.6 90.9 -66.2 102.6 35.2 7 10 A L - 0 0 17 -2,-0.5 5,-0.1 -3,-0.2 -3,-0.0 -0.642 36.2-100.4 -84.3 136.3 -64.4 103.1 31.9 8 11 A P >> - 0 0 62 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.238 25.9-122.2 -56.2 143.9 -65.0 106.4 30.1 9 12 A E H 3> S+ 0 0 136 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.808 112.7 62.2 -57.4 -30.0 -67.5 106.2 27.2 10 13 A T H 3> S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.867 108.0 41.7 -63.5 -37.2 -64.8 107.5 24.9 11 14 A H H <> S+ 0 0 19 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.800 111.5 54.4 -81.4 -31.2 -62.6 104.4 25.7 12 15 A Q H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.905 111.6 45.6 -68.3 -40.6 -65.5 102.0 25.5 13 16 A M H X S+ 0 0 88 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 111.3 53.2 -65.9 -44.6 -66.4 103.3 22.0 14 17 A L H X S+ 0 0 26 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.882 108.3 50.6 -57.3 -41.6 -62.7 103.1 21.0 15 18 A R H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.948 110.3 48.5 -63.1 -50.2 -62.5 99.5 22.1 16 19 A Q H X S+ 0 0 105 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 111.5 50.8 -56.3 -45.5 -65.6 98.5 20.1 17 20 A T H X S+ 0 0 58 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.900 112.5 44.6 -61.9 -44.5 -64.2 100.3 17.0 18 21 A C H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.863 111.1 54.0 -70.5 -35.1 -60.8 98.6 17.1 19 22 A R H X S+ 0 0 82 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 110.1 47.4 -64.5 -41.8 -62.4 95.2 17.8 20 23 A D H X S+ 0 0 90 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.918 112.5 49.7 -64.3 -43.9 -64.6 95.5 14.8 21 24 A F H X>S+ 0 0 21 -4,-2.0 4,-4.1 2,-0.2 5,-0.8 0.948 113.2 45.2 -59.7 -51.1 -61.6 96.6 12.7 22 25 A A H X>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 4,-1.0 0.902 115.1 48.7 -60.0 -41.1 -59.5 93.7 13.8 23 26 A E H <5S+ 0 0 102 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.844 122.2 34.1 -68.4 -33.3 -62.4 91.4 13.3 24 27 A K H <5S+ 0 0 148 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.879 133.1 22.2 -90.0 -42.4 -63.0 92.7 9.8 25 28 A E H <5S+ 0 0 33 -4,-4.1 -3,-0.2 -5,-0.2 -2,-0.1 0.767 129.5 29.7 -99.5 -29.7 -59.6 93.6 8.5 26 29 A L T >X S+ 0 0 30 -3,-1.2 4,-2.4 -4,-0.1 5,-0.2 0.549 87.8 95.0-114.6 -9.8 -55.7 87.7 6.8 30 33 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 -3,-0.3 5,-0.2 0.857 85.9 52.4 -49.1 -42.8 -53.4 87.1 9.8 31 34 A A H > S+ 0 0 59 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.942 111.0 45.0 -62.8 -47.7 -52.6 83.6 8.7 32 35 A Q H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 6,-0.3 0.844 111.0 54.3 -66.9 -32.9 -51.5 84.6 5.2 33 36 A L H X>S+ 0 0 5 -4,-2.4 5,-1.5 2,-0.2 4,-1.1 0.920 111.5 45.4 -65.1 -42.9 -49.5 87.5 6.6 34 37 A D H <5S+ 0 0 12 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 114.9 47.3 -66.0 -42.9 -47.6 85.1 8.9 35 38 A K H <5S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 121.1 35.1 -68.0 -41.2 -47.0 82.5 6.2 36 39 A E H <5S- 0 0 110 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.483 99.1-127.5 -94.2 -2.2 -45.8 85.0 3.5 37 40 A H T <5 + 0 0 65 -4,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.922 51.9 168.5 55.2 44.6 -44.0 87.4 5.8 38 41 A L < - 0 0 72 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.798 37.8-128.4 -97.9 125.4 -46.0 90.1 4.2 39 42 A F - 0 0 30 -2,-0.5 2,-2.4 -3,-0.1 3,-0.2 -0.546 24.4-124.8 -70.5 128.7 -46.2 93.6 5.5 40 43 A P > + 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.344 44.0 165.2 -74.2 62.8 -49.9 94.7 5.9 41 44 A T H > S+ 0 0 83 -2,-2.4 4,-1.9 1,-0.2 5,-0.1 0.900 71.7 42.3 -44.0 -61.9 -49.5 97.8 3.8 42 45 A S H > S+ 0 0 76 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 114.7 51.3 -57.8 -40.5 -53.3 98.5 3.2 43 46 A Q H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 107.4 51.7 -65.2 -44.9 -54.2 97.7 6.8 44 47 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 109.5 51.7 -59.3 -40.4 -51.6 100.0 8.3 45 48 A K H X S+ 0 0 97 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.936 109.5 47.6 -62.6 -47.9 -52.9 102.8 6.1 46 49 A K H X S+ 0 0 97 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.900 110.8 53.8 -59.5 -39.8 -56.5 102.3 7.2 47 50 A M H X>S+ 0 0 2 -4,-2.5 5,-2.4 1,-0.2 4,-0.6 0.912 105.6 52.9 -60.1 -43.9 -55.2 102.3 10.8 48 51 A G H ><5S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 71,-0.2 0.889 105.3 54.0 -59.5 -40.8 -53.5 105.6 10.2 49 52 A E H 3<5S+ 0 0 157 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.838 105.6 53.0 -63.6 -32.7 -56.7 107.1 9.0 50 53 A L H 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.617 119.0-117.4 -76.3 -10.6 -58.4 106.0 12.2 51 54 A G T X<5S+ 0 0 15 -3,-1.1 3,-0.9 -4,-0.6 13,-0.3 0.654 75.7 132.7 83.5 16.8 -55.6 107.8 14.0 52 55 A L T 3 < + 0 0 4 -5,-2.4 3,-0.5 1,-0.2 -4,-0.2 0.646 64.0 61.0 -74.2 -15.5 -54.3 104.6 15.6 53 56 A L T 3 S+ 0 0 1 -6,-0.3 -1,-0.2 64,-0.3 65,-0.1 0.483 114.8 29.8 -91.2 -2.4 -50.7 105.4 14.6 54 57 A A S < S+ 0 0 0 -3,-0.9 10,-2.5 63,-0.2 11,-0.5 -0.244 71.7 147.8-149.7 49.5 -50.4 108.6 16.6 55 58 A M S S+ 0 0 1 -3,-0.5 11,-2.3 1,-0.2 -2,-0.1 0.822 76.1 40.7 -58.5 -38.7 -52.8 108.1 19.5 56 59 A D S S+ 0 0 41 9,-0.2 -1,-0.2 8,-0.1 12,-0.1 0.681 91.7 103.3 -85.8 -20.5 -50.8 110.1 22.1 57 60 A V S S- 0 0 2 -3,-0.3 8,-2.7 1,-0.1 9,-0.3 -0.450 77.5-113.4 -67.7 129.9 -49.9 113.0 19.7 58 61 A P > > - 0 0 40 0, 0.0 5,-2.3 0, 0.0 3,-1.1 -0.157 22.9-109.3 -62.4 156.5 -52.1 116.1 20.1 59 62 A E G > 5S+ 0 0 127 1,-0.3 3,-2.7 3,-0.2 -2,-0.1 0.866 114.7 66.5 -52.1 -43.1 -54.5 117.4 17.5 60 63 A E G 3 5S+ 0 0 159 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.843 103.9 44.4 -49.4 -39.9 -52.3 120.3 16.6 61 64 A L G < 5S- 0 0 27 -3,-1.1 -1,-0.3 52,-0.0 -2,-0.2 0.233 128.2 -97.5 -91.5 14.0 -49.6 117.9 15.3 62 65 A S T < 5S+ 0 0 71 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.727 81.7 139.7 76.9 24.4 -52.3 115.9 13.4 63 66 A G < - 0 0 8 -5,-2.3 -1,-0.2 -7,-0.1 -8,-0.2 -0.323 68.3-105.6 -91.1 178.7 -52.4 113.3 16.1 64 67 A A - 0 0 21 -10,-2.5 -9,-0.2 -13,-0.3 -5,-0.1 0.660 40.7-137.3 -79.1 -17.9 -55.5 111.5 17.6 65 68 A G + 0 0 38 -8,-2.7 -9,-0.2 -11,-0.5 -10,-0.1 0.801 61.0 120.9 66.2 29.2 -55.4 113.6 20.8 66 69 A L - 0 0 62 -11,-2.3 2,-0.2 -9,-0.3 -1,-0.1 -0.054 55.3-115.1-102.0-152.6 -56.0 110.6 23.1 67 70 A D > - 0 0 47 -2,-0.1 4,-2.0 -3,-0.1 3,-0.2 -0.815 31.1 -90.1-140.6 179.5 -54.0 109.2 25.9 68 71 A Y H > S+ 0 0 3 237,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.728 120.2 59.3 -70.1 -22.0 -52.1 106.0 26.9 69 72 A L H > S+ 0 0 13 236,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.903 110.4 44.3 -70.0 -39.2 -55.1 104.3 28.5 70 73 A A H > S+ 0 0 1 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 111.7 54.2 -67.4 -42.4 -56.8 104.6 25.1 71 74 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.891 107.9 49.0 -58.9 -44.5 -53.6 103.5 23.4 72 75 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.924 112.2 47.4 -64.0 -46.2 -53.3 100.3 25.5 73 76 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.901 114.5 46.6 -62.8 -41.6 -57.0 99.3 24.9 74 77 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.870 111.2 51.8 -69.5 -36.7 -56.7 99.9 21.2 75 78 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.836 106.8 53.6 -69.9 -33.9 -53.4 98.0 20.9 76 79 A E H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.957 109.7 46.9 -64.8 -50.0 -54.8 95.0 22.7 77 80 A E H X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.880 115.4 46.3 -59.1 -41.3 -57.7 94.7 20.3 78 81 A I H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.0 0.919 111.8 49.7 -67.8 -45.8 -55.4 95.1 17.3 79 82 A S H 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 102.8 62.5 -64.9 -26.7 -52.8 92.6 18.6 80 83 A R H 3< S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.805 109.9 41.2 -67.3 -28.1 -55.7 90.1 19.2 81 84 A G H << S- 0 0 3 -3,-1.0 2,-0.2 -4,-0.7 -2,-0.2 0.866 140.2 -6.9 -85.6 -40.8 -56.3 90.2 15.4 82 85 A C X - 0 0 5 -4,-2.3 4,-1.9 1,-0.1 -1,-0.3 -0.790 53.9-155.9-160.5 111.7 -52.6 90.2 14.4 83 86 A A H > S+ 0 0 2 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.808 96.5 54.7 -59.3 -32.4 -49.6 90.4 16.7 84 87 A S H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.954 107.5 47.3 -67.7 -49.7 -47.4 91.8 13.9 85 88 A T H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 109.5 58.8 -58.4 -35.3 -49.7 94.7 13.0 86 89 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -8,-0.2 -1,-0.2 0.907 108.1 41.4 -61.5 -44.7 -49.8 95.3 16.7 87 90 A V H X S+ 0 0 2 -4,-1.7 4,-2.9 -3,-0.2 5,-0.2 0.856 109.6 58.1 -73.6 -33.9 -46.1 95.9 17.1 88 91 A I H X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.896 112.5 42.9 -59.8 -37.5 -45.8 97.9 13.9 89 92 A M H X S+ 0 0 1 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.873 112.4 52.2 -74.1 -41.8 -48.3 100.2 15.5 90 93 A S H X>S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.8 0.884 107.7 52.6 -63.5 -40.9 -46.6 100.1 18.9 91 94 A V H X>S+ 0 0 5 -4,-2.9 5,-2.0 1,-0.2 4,-0.9 0.948 110.2 45.9 -62.5 -49.5 -43.3 101.1 17.4 92 95 A N H <>S+ 0 0 0 -4,-1.4 5,-2.2 -5,-0.2 6,-0.3 0.896 120.2 41.7 -61.5 -40.1 -44.5 104.1 15.5 93 96 A N H <>S+ 0 0 10 -4,-2.0 5,-1.0 3,-0.2 -2,-0.2 0.993 129.1 19.4 -70.0 -66.4 -46.5 105.3 18.6 94 97 A S H <5S+ 0 0 0 -4,-2.3 150,-0.2 -5,-0.2 -3,-0.2 0.894 131.6 34.8 -76.4 -44.3 -44.2 104.7 21.6 95 98 A L T <>S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.6 0.851 116.5 53.1 -67.0 -34.2 -39.3 110.6 22.1 100 103 A I H X5S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.907 109.9 49.4 -66.2 -40.3 -39.6 113.3 19.4 101 104 A L H <5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.1 0.820 118.9 38.5 -66.8 -32.9 -42.7 114.5 21.1 102 105 A K H <5S+ 0 0 113 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.826 133.5 18.3 -89.9 -34.2 -41.1 114.6 24.5 103 106 A F H <5S+ 0 0 37 -4,-3.0 125,-0.4 -5,-0.1 -3,-0.2 0.624 99.2 102.2-112.5 -18.7 -37.6 115.9 23.7 104 107 A G << - 0 0 11 -4,-1.7 2,-0.1 -5,-0.6 123,-0.1 -0.179 69.2-114.1 -69.0 160.4 -37.8 117.4 20.3 105 108 A S > - 0 0 60 1,-0.1 4,-2.6 123,-0.1 5,-0.2 -0.439 37.1 -97.3 -86.4 165.9 -38.0 121.1 19.5 106 109 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.905 127.0 48.6 -49.2 -45.2 -41.1 122.8 18.0 107 110 A Q H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.3 49.9 -63.6 -46.7 -39.4 122.5 14.6 108 111 A Q H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.884 108.2 55.0 -60.8 -38.1 -38.4 118.9 14.9 109 112 A K H X>S+ 0 0 61 -4,-2.6 4,-1.5 1,-0.2 5,-1.3 0.907 108.2 49.8 -61.2 -41.4 -42.0 118.0 16.0 110 113 A Q H <5S+ 0 0 114 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.862 119.5 33.3 -68.2 -38.1 -43.3 119.7 12.8 111 114 A Q H <5S+ 0 0 95 -4,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.715 128.4 32.9 -94.4 -19.3 -41.0 117.9 10.3 112 115 A W H <5S+ 0 0 18 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.604 125.0 36.6-109.5 -15.0 -40.6 114.5 12.0 113 116 A I T ><5S+ 0 0 0 -4,-1.5 3,-2.7 -5,-0.5 -3,-0.2 0.871 108.9 54.3 -98.8 -61.7 -44.0 113.9 13.7 114 117 A T G > -H 132 0B 8 3,-3.0 3,-0.8 27,-0.3 27,-0.2 -0.872 39.2 -99.1-135.6 166.5 -26.4 96.4 18.1 130 133 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 26,-0.1 0.905 123.2 42.6 -55.3 -43.6 -24.9 93.0 17.3 131 134 A G T 3 S+ 0 0 52 1,-0.2 2,-0.3 7,-0.1 525,-0.1 0.591 124.0 27.5 -81.3 -10.8 -22.6 93.0 20.3 132 135 A N B < +H 129 0B 11 -3,-0.8 -3,-3.0 1,-0.1 25,-0.2 -0.953 45.3 141.8-158.1 136.0 -25.1 94.4 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H X S+ 0 0 121 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.916 111.0 48.7 -62.8 -43.0 -54.9 95.6 35.4 300 303 A L H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 21,-0.3 0.921 113.1 48.5 -61.3 -44.3 -51.2 96.1 35.8 301 304 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.924 111.4 48.6 -62.4 -47.4 -51.0 97.4 32.3 302 305 A W H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.866 108.4 54.5 -62.9 -36.7 -53.8 99.8 32.8 303 306 A R H X S+ 0 0 94 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.931 110.6 46.1 -62.5 -44.1 -52.3 101.1 36.0 304 307 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 13,-0.3 -2,-0.2 0.917 111.9 50.6 -63.7 -45.4 -49.0 101.9 34.2 305 308 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -237,-0.3 0.899 112.5 47.6 -60.1 -41.7 -50.9 103.6 31.3 306 309 A M H X S+ 0 0 79 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.840 107.8 53.8 -70.8 -34.7 -52.8 105.7 33.7 307 310 A L H <>S+ 0 0 43 -4,-2.0 5,-2.7 2,-0.2 4,-0.2 0.897 108.6 51.0 -66.5 -37.2 -49.8 106.8 35.7 308 311 A K H ><5S+ 0 0 23 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.917 110.5 48.9 -64.8 -41.4 -48.2 107.9 32.5 309 312 A D H 3<5S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.887 110.5 50.4 -65.2 -38.6 -51.3 109.9 31.7 310 313 A N T 3<5S- 0 0 114 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.375 115.3-116.3 -81.5 5.2 -51.3 111.5 35.2 311 314 A K T < 5 + 0 0 147 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.883 69.0 136.7 62.7 41.4 -47.7 112.5 34.8 312 315 A K < - 0 0 123 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.805 66.4 -82.7-114.6 157.0 -46.5 110.2 37.7 313 316 A P + 0 0 111 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.351 52.0 163.9 -59.3 137.9 -43.4 108.0 37.8 314 317 A F > + 0 0 25 2,-0.1 4,-2.6 3,-0.1 5,-0.2 0.241 34.2 111.8-143.1 15.4 -44.2 104.7 36.1 315 318 A T H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.926 87.9 40.9 -59.1 -48.3 -40.9 102.9 35.3 316 319 A K H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 116.6 49.1 -65.6 -46.4 -41.5 100.1 37.8 317 320 A E H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -13,-0.3 0.854 110.7 51.5 -61.4 -37.2 -45.2 99.8 36.9 318 321 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.933 110.3 47.9 -66.4 -46.0 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108.6 48.8 -58.9 -49.2 -52.8 71.8 24.8 339 342 A I H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.7 52.1 -61.9 -32.0 -56.6 72.1 25.0 340 343 A L H >< S- 0 0 5 -4,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.673 91.9-168.3 -78.1 -16.8 -56.8 71.8 21.2 341 344 A G G X< - 0 0 16 -4,-1.0 3,-1.9 -3,-0.8 4,-0.5 -0.404 67.4 -2.1 65.5-136.9 -54.7 68.6 21.3 342 345 A G G >> S+ 0 0 25 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.880 133.6 60.9 -53.8 -40.3 -53.6 67.5 17.8 343 346 A M G <4 S+ 0 0 58 -3,-1.2 3,-0.4 1,-0.3 6,-0.3 0.717 95.5 63.3 -59.9 -21.9 -55.5 70.4 16.3 344 347 A G G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 -7,-0.4 -2,-0.2 0.655 98.8 54.3 -78.6 -13.9 -53.3 72.8 18.3 345 348 A Y T <4 S+ 0 0 7 -3,-1.9 244,-2.5 -4,-0.5 2,-0.3 0.565 95.3 79.7 -96.1 -10.5 -50.1 71.6 16.5 346 349 A V B >< S-K 588 0E 2 -4,-0.5 3,-1.5 -3,-0.4 6,-0.4 -0.680 80.4-122.2-104.3 155.7 -51.2 72.2 12.9 347 350 A T T 3 S+ 0 0 51 240,-2.4 241,-0.1 -2,-0.3 -1,-0.1 0.559 99.4 82.9 -69.2 -6.6 -51.4 75.4 10.8 348 351 A E T 3 S+ 0 0 103 239,-0.3 -1,-0.3 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A H H X S+ 0 0 55 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.838 113.6 55.9 -74.8 -35.2 -37.1 100.7 42.3 379 382 A L H X S+ 0 0 64 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.943 111.9 43.1 -61.8 -48.0 -38.6 98.4 44.9 380 383 A L H >X S+ 0 0 82 -4,-2.8 4,-1.4 1,-0.2 3,-0.7 0.876 108.9 58.3 -66.2 -37.7 -35.5 98.8 47.0 381 384 A R H 3< S+ 0 0 156 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.874 103.5 52.8 -59.8 -37.6 -35.3 102.5 46.4 382 385 A S H 3< S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.735 109.8 49.5 -70.8 -21.8 -38.7 103.0 47.9 383 386 A Y H << 0 0 181 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.695 360.0 360.0 -88.5 -22.4 -37.5 101.1 51.0 384 387 A R < 0 0 226 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.1 0.972 360.0 360.0 -70.5 360.0 -34.4 103.2 51.4 385 !* 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 0.0 386 404 B V 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.1 -22.5 65.2 30.0 387 405 B Y - 0 0 21 293,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.886 360.0-119.3-122.9 154.6 -24.0 63.4 32.9 388 406 B Q - 0 0 194 -2,-0.3 2,-0.2 3,-0.0 3,-0.1 -0.846 29.4-161.7 -98.9 120.8 -22.5 60.7 35.2 389 407 B S - 0 0 26 -2,-0.6 3,-0.0 1,-0.1 0, 0.0 -0.625 25.4-114.8 -98.7 159.1 -24.3 57.4 35.2 390 408 B V S S- 0 0 133 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.975 79.7 -47.8 -53.8 -82.1 -24.0 54.6 37.8 391 409 B E - 0 0 169 -3,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.486 60.6-164.5-162.9 83.7 -22.3 51.8 35.9 392 410 B L - 0 0 14 1,-0.1 -3,-0.0 -2,-0.1 2,-0.0 -0.348 31.6-102.8 -71.0 148.3 -23.6 50.9 32.4 393 411 B P >> - 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.367 35.5-110.1 -66.5 153.9 -22.6 47.6 30.7 394 412 B E H 3> S+ 0 0 139 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.869 116.6 60.2 -53.9 -38.8 -19.9 48.1 28.0 395 413 B T H 3> S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.9 39.5 -56.2 -44.8 -22.4 47.3 25.3 396 414 B H H <> S+ 0 0 14 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.876 115.4 50.4 -74.7 -39.1 -24.7 50.2 26.2 397 415 B Q H X S+ 0 0 68 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.916 114.8 45.6 -63.4 -41.4 -21.8 52.6 27.0 398 416 B M H X S+ 0 0 116 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.877 109.9 54.0 -68.0 -39.6 -20.3 51.7 23.6 399 417 B L H X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.865 103.1 57.4 -63.6 -36.7 -23.7 52.1 21.9 400 418 B R H X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.932 107.4 47.7 -60.0 -45.7 -24.1 55.6 23.3 401 419 B Q H X S+ 0 0 128 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.912 110.7 51.3 -61.3 -45.9 -20.9 56.6 21.6 402 420 B T H X S+ 0 0 54 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.925 113.3 44.1 -57.6 -48.1 -21.8 55.0 18.2 403 421 B C H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.856 113.0 50.8 -67.9 -36.8 -25.2 56.8 18.2 404 422 B R H X S+ 0 0 52 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.905 111.7 47.2 -68.4 -41.7 -23.8 60.2 19.3 405 423 B D H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.889 113.2 50.5 -65.2 -38.9 -21.1 60.0 16.6 406 424 B F H X>S+ 0 0 23 -4,-2.1 4,-3.5 -5,-0.2 5,-0.7 0.963 112.6 44.7 -62.2 -52.7 -23.8 59.1 14.1 407 425 B A H X>S+ 0 0 1 -4,-2.8 5,-2.8 1,-0.2 4,-1.3 0.910 113.5 51.5 -57.7 -44.6 -26.0 61.9 15.1 408 426 B E H <5S+ 0 0 98 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.868 121.5 31.2 -61.6 -39.9 -23.1 64.4 15.1 409 427 B K H <5S+ 0 0 141 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.867 131.6 27.0 -89.0 -40.9 -22.0 63.4 11.6 410 428 B E H <5S+ 0 0 45 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.772 128.9 26.7 -96.5 -29.3 -25.2 62.4 9.8 411 429 B L T >X S+ 0 0 36 -3,-1.5 4,-2.3 2,-0.1 3,-0.2 0.476 87.9 96.9-115.7 -3.7 -28.8 68.5 7.9 415 433 B A H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.4 5,-0.2 0.871 84.5 52.6 -53.6 -41.9 -31.4 68.9 10.6 416 434 B A H > S+ 0 0 61 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.912 110.8 46.5 -62.1 -44.3 -32.1 72.6 9.7 417 435 B Q H > S+ 0 0 92 -3,-0.2 4,-2.9 2,-0.2 6,-0.3 0.890 109.8 53.8 -65.6 -41.0 -32.7 71.7 6.0 418 436 B L H X>S+ 0 0 5 -4,-2.3 5,-1.6 2,-0.2 4,-1.3 0.928 112.5 44.2 -59.6 -46.4 -35.0 68.7 6.9 419 437 B D H <5S+ 0 0 11 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.942 115.8 46.9 -63.0 -48.7 -37.2 70.9 9.1 420 438 B K H <5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 122.2 34.2 -63.5 -40.2 -37.3 73.8 6.5 421 439 B E H <5S- 0 0 115 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.512 100.1-127.2 -94.6 -4.6 -38.1 71.5 3.5 422 440 B H T <5 + 0 0 74 -4,-1.3 2,-0.5 -3,-0.3 -3,-0.2 0.918 51.4 171.4 57.5 41.3 -40.2 69.0 5.4 423 441 B L < - 0 0 70 -5,-1.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.755 36.0-133.2 -92.2 123.3 -37.9 66.4 3.9 424 442 B F - 0 0 27 -2,-0.5 2,-2.1 -3,-0.1 3,-0.2 -0.601 24.6-126.4 -72.4 126.0 -38.0 62.8 5.0 425 443 B P > + 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.420 42.1 165.8 -76.3 70.1 -34.4 61.7 5.6 426 444 B T H > S+ 0 0 96 -2,-2.1 4,-1.9 1,-0.2 5,-0.2 0.893 71.1 47.4 -52.1 -52.9 -34.4 58.6 3.4 427 445 B S H > S+ 0 0 73 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.905 114.4 47.5 -59.1 -43.2 -30.6 58.1 3.2 428 446 B Q H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 107.8 53.7 -68.5 -39.9 -30.2 58.4 7.0 429 447 B V H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.905 109.0 50.6 -62.1 -39.2 -33.1 56.1 7.9 430 448 B K H X S+ 0 0 54 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.927 109.8 50.0 -62.8 -44.6 -31.6 53.4 5.7 431 449 B K H X S+ 0 0 86 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.917 110.6 49.1 -58.7 -46.1 -28.2 53.9 7.4 432 450 B M H X>S+ 0 0 1 -4,-2.5 5,-2.7 1,-0.2 4,-0.6 0.843 108.9 54.6 -61.7 -35.3 -29.8 53.6 10.8 433 451 B G H ><5S+ 0 0 4 -4,-1.9 3,-1.2 -5,-0.2 71,-0.2 0.938 106.9 49.8 -63.4 -45.7 -31.5 50.5 9.6 434 452 B E H 3<5S+ 0 0 137 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.829 107.7 53.9 -61.3 -33.4 -28.1 49.1 8.6 435 453 B L H 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.612 118.1-115.6 -76.3 -12.0 -26.8 49.9 12.1 436 454 B G T X<5S+ 0 0 15 -3,-1.2 3,-0.7 -4,-0.6 13,-0.3 0.662 78.5 127.9 85.7 18.4 -29.8 48.0 13.5 437 455 B L T 3 < + 0 0 6 -5,-2.7 3,-0.4 1,-0.2 -4,-0.2 0.569 62.5 63.6 -83.6 -9.5 -31.4 51.0 15.2 438 456 B L T 3 S+ 0 0 1 -6,-0.5 -1,-0.2 64,-0.3 -5,-0.1 0.433 116.4 26.1 -93.6 0.9 -34.8 50.5 13.6 439 457 B A S X S+ 0 0 1 -3,-0.7 10,-2.2 63,-0.2 3,-0.6 -0.279 73.0 148.6-157.9 57.5 -35.4 47.1 15.3 440 458 B M T 3 S+ 0 0 1 -3,-0.4 11,-3.1 1,-0.2 -2,-0.1 0.853 74.6 43.9 -66.7 -40.3 -33.4 47.2 18.5 441 459 B D T 3 S+ 0 0 39 9,-0.2 -1,-0.2 8,-0.1 12,-0.1 0.441 91.2 105.6 -86.8 -1.5 -35.6 45.0 20.8 442 460 B V S < S- 0 0 4 -3,-0.6 8,-2.6 10,-0.1 9,-0.2 -0.664 77.6-112.5 -83.9 130.9 -36.1 42.4 18.0 443 461 B P > > - 0 0 43 0, 0.0 5,-2.2 0, 0.0 3,-1.3 -0.194 22.4-116.6 -59.8 151.7 -34.2 39.2 18.4 444 462 B E G > 5S+ 0 0 154 1,-0.3 3,-2.7 3,-0.2 -2,-0.0 0.818 110.3 70.1 -58.4 -34.7 -31.4 38.4 15.9 445 463 B E G 3 5S+ 0 0 181 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.820 103.8 43.5 -53.6 -32.6 -33.3 35.3 14.6 446 464 B L G < 5S- 0 0 22 -3,-1.3 -1,-0.3 52,-0.0 -2,-0.2 0.172 130.6 -96.0 -99.6 16.4 -35.8 37.7 13.1 447 465 B S T < 5S+ 0 0 68 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.641 82.0 137.3 79.3 17.7 -33.0 40.0 11.8 448 466 B G < - 0 0 10 -5,-2.2 -1,-0.2 1,-0.1 -8,-0.2 -0.364 68.9-110.5 -88.7 172.2 -33.2 42.4 14.8 449 467 B A - 0 0 31 -10,-2.2 -9,-0.2 -13,-0.3 -5,-0.1 0.644 42.7-135.3 -76.6 -14.8 -30.3 43.9 16.7 450 468 B G + 0 0 38 -8,-2.6 -9,-0.2 -11,-0.5 -10,-0.1 0.798 59.6 123.0 66.6 31.1 -31.1 41.8 19.7 451 469 B L - 0 0 70 -11,-3.1 2,-0.2 -9,-0.2 -1,-0.1 0.103 53.2-112.8 -98.6-146.1 -30.7 44.5 22.3 452 470 B D > - 0 0 45 -3,-0.0 4,-2.0 -2,-0.0 5,-0.1 -0.841 31.6 -88.9-144.3-179.4 -33.2 45.8 24.9 453 471 B Y H > S+ 0 0 3 237,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.743 120.3 59.6 -69.8 -23.0 -35.2 48.8 25.9 454 472 B L H > S+ 0 0 15 236,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.936 110.9 42.2 -67.9 -45.0 -32.4 50.4 28.0 455 473 B A H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.879 113.0 54.5 -65.8 -39.1 -30.3 50.4 24.8 456 474 B Y H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.927 109.6 47.0 -59.5 -47.8 -33.3 51.6 22.8 457 475 B S H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 114.2 46.4 -61.1 -50.1 -33.8 54.5 25.2 458 476 B I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.936 115.6 45.6 -59.6 -47.8 -30.1 55.5 25.2 459 477 B A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.911 111.7 51.9 -63.6 -42.4 -29.8 55.2 21.4 460 478 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.830 106.6 53.9 -65.1 -33.5 -33.1 57.1 20.8 461 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111.2 51.1 -64.8 -44.4 -29.8 70.3 34.3 677 695 B L H X S+ 0 0 118 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.937 110.1 48.4 -59.8 -49.0 -31.8 69.0 37.2 678 696 B A H X S+ 0 0 34 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.860 114.8 46.6 -61.0 -37.0 -35.0 68.6 35.2 679 697 B L H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.932 114.6 41.8 -73.2 -49.7 -33.2 66.8 32.4 680 698 B E H X S+ 0 0 89 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.869 115.4 54.2 -66.1 -33.9 -31.1 64.3 34.4 681 699 B S H X S+ 0 0 62 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.924 109.6 45.3 -64.6 -47.0 -34.1 63.7 36.7 682 700 B A H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.779 108.5 58.4 -68.8 -27.1 -36.3 62.8 33.7 683 701 B R H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.901 103.3 51.8 -69.6 -39.4 -33.6 60.6 32.3 684 702 B L H X S+ 0 0 119 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.877 109.3 49.9 -63.9 -37.7 -33.5 58.5 35.4 685 703 B L H X S+ 0 0 41 -4,-1.3 4,-2.1 2,-0.2 21,-0.3 0.910 112.5 48.6 -65.3 -41.9 -37.3 58.0 35.2 686 704 B T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.927 111.4 47.6 -63.7 -48.7 -37.0 57.0 31.6 687 705 B W H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.863 109.5 55.6 -62.1 -35.7 -34.2 54.5 32.2 688 706 B R H X S+ 0 0 91 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.952 107.9 47.0 -61.2 -50.4 -36.2 53.0 35.1 689 707 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 13,-0.3 -1,-0.2 0.898 112.5 51.5 -58.0 -41.5 -39.2 52.4 32.9 690 708 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -237,-0.3 0.924 110.7 47.0 -62.1 -47.3 -36.9 50.8 30.3 691 709 B M H X S+ 0 0 87 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.849 110.5 51.7 -65.5 -35.4 -35.3 48.5 32.8 692 710 B L H <>S+ 0 0 38 -4,-2.3 5,-2.6 2,-0.2 4,-0.4 0.934 109.9 50.5 -66.0 -43.2 -38.6 47.4 34.3 693 711 B K H ><5S+ 0 0 19 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.936 111.0 48.9 -58.1 -46.5 -39.8 46.6 30.8 694 712 B D H 3<5S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 110.7 49.8 -64.3 -31.7 -36.6 44.6 30.2 695 713 B N T 3<5S- 0 0 111 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.383 115.6-116.4 -87.3 4.2 -37.0 42.7 33.5 696 714 B K T < 5 + 0 0 153 -3,-1.4 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4,-2.1 2,-0.2 -2,-0.2 0.937 117.6 42.7 -66.4 -46.7 -39.2 74.3 29.8 717 735 B I H X S+ 0 0 2 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.916 115.3 47.5 -67.2 -44.8 -35.6 73.8 28.9 718 736 B S H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 22,-0.2 0.842 110.8 54.5 -67.0 -30.5 -35.9 74.6 25.2 719 737 B H H X S+ 0 0 24 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.941 110.5 44.9 -65.7 -46.3 -37.9 77.7 26.2 720 738 B Q H X S+ 0 0 42 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.781 105.9 60.8 -67.7 -30.0 -35.1 78.8 28.5 721 739 B A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.918 105.6 48.3 -64.0 -42.0 -32.5 78.1 25.9 722 740 B I H X S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.2 7,-0.4 0.936 111.1 51.1 -61.3 -46.3 -34.2 80.7 23.6 723 741 B Q H < S+ 0 0 8 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.912 107.9 51.8 -57.8 -45.5 -34.2 83.2 26.5 724 742 B I H < S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.7 47.8 -64.3 -31.1 -30.5 82.7 27.2 725 743 B L H >< S- 0 0 5 -4,-1.6 3,-1.3 -3,-0.3 -1,-0.3 0.678 93.7-169.4 -81.5 -17.8 -29.7 83.4 23.5 726 744 B G G >< + 0 0 13 -4,-1.2 3,-1.9 -3,-0.5 4,-0.3 -0.427 66.9 2.1 66.5-133.4 -31.9 86.4 23.6 727 745 B G G > S+ 0 0 25 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.867 130.8 61.2 -53.8 -39.5 -32.5 87.9 20.2 728 746 B M G X S+ 0 0 42 -3,-1.3 3,-0.5 1,-0.3 6,-0.4 0.686 95.3 63.5 -63.2 -17.8 -30.5 85.1 18.5 729 747 B G G < S+ 0 0 0 -3,-1.9 -1,-0.3 -7,-0.4 -2,-0.2 0.564 96.0 57.3 -84.1 -7.0 -32.9 82.5 19.9 730 748 B Y G < S+ 0 0 6 -3,-1.8 -526,-2.8 -4,-0.3 2,-0.3 0.483 95.8 77.6 -99.9 -4.8 -35.8 83.9 17.9 731 749 B V B X S-I 203 0C 3 -3,-0.5 3,-1.5 -4,-0.3 6,-0.4 -0.794 81.3-123.5-111.1 152.2 -34.2 83.5 14.5 732 750 B T T 3 S+ 0 0 49 -530,-2.3 -529,-0.1 -2,-0.3 -1,-0.1 0.586 99.0 83.4 -65.3 -12.5 -33.7 80.5 12.3 733 751 B E T 3 S+ 0 0 107 -531,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.832 95.4 47.8 -61.7 -31.4 -29.9 81.1 12.2 734 752 B M S < S- 0 0 35 -3,-1.5 3,-0.4 -6,-0.4 4,-0.3 -0.745 84.3-131.3-106.4 157.6 -29.7 79.3 15.5 735 753 B P S >> S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.607 85.1 92.4 -84.1 -11.3 -31.4 75.9 16.3 736 754 B A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -14,-0.2 0.854 82.6 53.1 -51.3 -44.1 -33.0 76.9 19.5 737 755 B E H 3> S+ 0 0 13 -6,-0.4 4,-1.8 -3,-0.4 -1,-0.2 0.866 109.2 49.9 -64.3 -33.5 -36.3 78.0 17.9 738 756 B R H <> S+ 0 0 24 -3,-0.7 4,-3.0 -4,-0.3 5,-0.3 0.883 106.9 54.4 -71.4 -37.2 -36.7 74.6 16.2 739 757 B Y H X S+ 0 0 31 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.927 107.8 51.0 -60.1 -42.8 -36.0 72.8 19.5 740 758 B Y H X S+ 0 0 2 -4,-2.0 4,-1.4 -22,-0.2 -1,-0.2 0.913 112.7 45.7 -59.6 -45.4 -38.9 74.8 21.1 741 759 B R H X S+ 0 0 8 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.915 115.0 45.6 -65.3 -46.7 -41.2 73.8 18.2 742 760 B D H >X S+ 0 0 4 -4,-3.0 3,-0.8 1,-0.2 4,-0.6 0.880 108.8 56.9 -65.9 -38.4 -40.2 70.1 18.2 743 761 B A H >< S+ 0 0 0 -4,-2.8 3,-1.1 -5,-0.3 4,-0.5 0.865 94.2 68.7 -61.3 -36.8 -40.5 69.9 22.0 744 762 B R H >< S+ 0 0 0 -4,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.804 93.1 56.4 -54.2 -36.0 -44.1 71.1 22.0 745 763 B I H XX S+ 0 0 11 -3,-0.8 3,-2.1 -4,-0.6 4,-2.0 0.808 91.2 71.2 -70.2 -27.1 -45.4 67.9 20.3 746 764 B T T << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-0.6 -35,-0.2 0.722 94.5 55.5 -63.0 -19.5 -44.0 65.6 23.0 747 765 B E T <4 S+ 0 0 10 -3,-0.9 6,-1.5 -4,-0.5 -1,-0.3 0.484 116.3 37.6 -88.5 -4.2 -46.6 66.9 25.5 748 766 B I T X4 S+ 0 0 13 -3,-2.1 3,-0.6 4,-0.2 -2,-0.2 0.806 97.6 69.5-113.4 -54.9 -49.4 65.9 23.1 749 767 B Y T 3< S+ 0 0 36 -4,-2.0 -408,-0.0 1,-0.2 -116,-0.0 -0.308 95.1 25.8 -78.9 158.5 -48.8 62.7 21.1 750 768 B E T 3 S- 0 0 26 -2,-0.0 -1,-0.2 -3,-0.0 -117,-0.1 0.770 143.7 -22.3 65.2 29.6 -48.9 59.1 22.4 751 769 B G S < S- 0 0 19 -3,-0.6 -2,-0.1 4,-0.0 5,-0.1 0.535 81.7-107.6 104.5 111.7 -51.1 60.4 25.1 752 770 B T > - 0 0 15 1,-0.1 4,-2.4 3,-0.1 3,-0.3 -0.077 35.9-102.0 -60.8 164.3 -51.4 64.0 26.3 753 771 B S H > S+ 0 0 0 -6,-1.5 4,-2.4 1,-0.2 5,-0.1 0.852 123.8 55.5 -56.3 -38.0 -49.9 65.2 29.7 754 772 B E H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 108.3 47.8 -64.1 -40.4 -53.4 65.1 31.2 755 773 B I H > S+ 0 0 30 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.919 109.7 52.8 -65.9 -43.0 -53.9 61.5 30.1 756 774 B Q H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 108.4 51.0 -57.5 -46.2 -50.5 60.6 31.6 757 775 B R H X S+ 0 0 114 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.883 109.4 50.5 -59.9 -38.4 -51.5 62.1 34.9 758 776 B L H X S+ 0 0 121 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.934 111.1 48.1 -63.9 -47.0 -54.8 60.1 34.8 759 777 B V H X S+ 0 0 34 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.878 112.9 49.2 -60.8 -40.1 -52.9 56.9 34.2 760 778 B I H X S+ 0 0 24 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.3 48.1 -65.8 -46.3 -50.4 57.7 37.0 761 779 B A H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.879 109.6 54.6 -62.9 -38.6 -53.2 58.5 39.5 762 780 B G H X S+ 0 0 31 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.917 113.1 39.7 -63.3 -45.0 -55.0 55.3 38.6 763 781 B H H X S+ 0 0 52 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.853 112.9 56.1 -73.9 -33.5 -52.0 53.1 39.3 764 782 B L H >X S+ 0 0 75 -4,-2.4 3,-1.0 1,-0.2 4,-0.9 0.966 109.4 45.8 -60.7 -53.2 -50.9 55.1 42.4 765 783 B L H >X S+ 0 0 90 -4,-2.4 4,-1.3 1,-0.3 3,-0.8 0.872 107.6 58.5 -57.7 -38.7 -54.4 54.6 44.0 766 784 B R H 3< S+ 0 0 166 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.766 100.8 57.4 -62.9 -26.7 -54.3 50.9 43.1 767 785 B S H << S+ 0 0 94 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.766 108.2 45.6 -75.6 -26.5 -51.1 50.5 45.1 768 786 B Y H << 0 0 186 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.683 360.0 360.0 -89.7 -20.9 -52.7 51.8 48.2 769 787 B R < 0 0 227 -4,-1.3 -3,-0.2 0, 0.0 -2,-0.2 0.896 360.0 360.0 -96.9 360.0 -55.9 49.7 47.9