==== 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 24-AUG-98 2R2F . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SMA . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.EKLUND,M.ERIKSSON . 571 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 4 2 0 1 0 0 1 2 4 0 2 0 0 2 0 0 0 0 2 0 0 0 0 2 2 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 S 0 0 157 0, 0.0 3,-0.1 0, 0.0 411,-0.0 0.000 360.0 360.0 360.0 116.0 7.5 21.6 93.9 2 5 A R - 0 0 100 1,-0.2 2,-0.4 416,-0.1 420,-0.0 0.703 360.0 -31.1 -74.0-123.9 6.3 23.5 90.9 3 6 A I - 0 0 41 348,-0.0 2,-0.3 418,-0.0 -1,-0.2 -0.823 56.4-143.3-104.4 141.2 8.0 26.5 89.3 4 7 A S - 0 0 55 -2,-0.4 2,-0.1 -3,-0.1 3,-0.0 -0.752 30.1 -96.8-103.2 152.5 10.2 28.9 91.2 5 8 A A - 0 0 10 -2,-0.3 2,-0.3 403,-0.1 346,-0.2 -0.456 47.9-111.2 -65.4 137.3 10.3 32.7 90.6 6 9 A I - 0 0 10 344,-0.5 2,-0.6 -2,-0.1 386,-0.1 -0.545 26.6-157.0 -76.2 134.8 13.4 33.4 88.4 7 10 A N > - 0 0 14 -2,-0.3 3,-1.2 3,-0.1 76,-0.1 -0.932 11.1-173.9-115.1 107.4 16.2 35.3 90.1 8 11 A W T 3 S+ 0 0 5 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.363 86.2 62.3 -81.6 6.3 18.5 37.1 87.7 9 12 A N T 3 S+ 0 0 72 1,-0.2 -1,-0.3 392,-0.0 -2,-0.0 0.184 97.6 60.5-110.0 10.8 20.9 38.0 90.5 10 13 A K S < S+ 0 0 98 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.1 -0.165 76.3 175.6-127.2 35.0 21.5 34.3 91.0 11 14 A I - 0 0 40 -3,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.113 16.6-168.2 -45.1 135.5 22.9 33.5 87.6 12 15 A Q S S+ 0 0 126 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.617 79.2 25.5-103.0 -20.5 24.1 29.9 87.4 13 16 A D >> - 0 0 32 1,-0.1 3,-2.1 0, 0.0 4,-0.7 -0.873 67.4-149.6-147.9 109.5 25.9 30.2 84.2 14 17 A D H 3> S+ 0 0 116 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.732 96.2 70.8 -48.9 -25.5 27.3 33.6 83.1 15 18 A K H 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.894 92.3 57.4 -60.9 -39.7 26.8 32.5 79.5 16 19 A D H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.910 108.5 43.3 -57.5 -48.0 23.0 32.8 80.0 17 20 A L H X S+ 0 0 48 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.870 112.9 53.9 -68.7 -36.2 23.1 36.4 81.0 18 21 A E H X S+ 0 0 88 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.938 112.9 41.2 -62.4 -49.9 25.6 37.3 78.2 19 22 A V H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.3 0.934 114.0 53.3 -65.8 -44.7 23.5 35.7 75.4 20 23 A W H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.916 112.2 45.6 -56.7 -43.3 20.3 37.2 76.9 21 24 A N H X S+ 0 0 55 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.921 115.6 46.0 -67.2 -41.5 21.9 40.6 76.9 22 25 A R H X S+ 0 0 96 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.964 115.8 44.6 -65.7 -51.2 23.3 40.2 73.4 23 26 A L H < S+ 0 0 1 -4,-3.6 -2,-0.2 2,-0.2 -3,-0.2 0.929 117.1 43.0 -59.7 -49.6 20.0 38.9 71.9 24 27 A T H >< S+ 0 0 2 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.937 113.2 53.2 -63.8 -43.4 17.7 41.4 73.6 25 28 A S H 3< S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.790 105.2 55.7 -60.6 -31.6 20.0 44.3 72.8 26 29 A N T 3< S+ 0 0 33 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.196 78.9 146.6 -88.8 17.4 20.1 43.3 69.2 27 30 A F < + 0 0 46 -3,-1.8 2,-0.3 -5,-0.1 -3,-0.1 -0.201 17.5 156.7 -53.8 141.2 16.3 43.5 68.8 28 31 A W - 0 0 11 156,-0.0 -2,-0.0 5,-0.0 69,-0.0 -0.972 29.1-149.1-159.8 165.8 15.0 44.7 65.4 29 32 A L > - 0 0 6 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.967 32.1-115.1-139.0 151.0 12.0 44.6 63.1 30 33 A P G > S+ 0 0 2 0, 0.0 3,-2.3 0, 0.0 5,-0.3 0.833 112.4 69.0 -57.8 -31.9 11.8 44.6 59.3 31 34 A E G 3 S+ 0 0 99 1,-0.3 4,-0.0 3,-0.1 70,-0.0 0.700 90.7 64.3 -59.8 -17.8 10.0 48.0 59.4 32 35 A K G < S+ 0 0 148 -3,-2.1 -1,-0.3 2,-0.1 0, 0.0 0.588 89.5 79.4 -81.8 -10.7 13.4 49.4 60.7 33 36 A V S < S- 0 0 17 -3,-2.3 2,-2.7 -4,-0.2 3,-0.3 -0.866 84.3-126.9-103.7 130.1 15.1 48.6 57.4 34 37 A P > + 0 0 65 0, 0.0 3,-1.7 0, 0.0 143,-0.1 -0.326 46.4 156.9 -69.6 60.2 14.7 50.8 54.3 35 38 A L G > + 0 0 8 -2,-2.7 3,-2.2 -5,-0.3 4,-0.2 0.823 61.8 71.0 -57.3 -34.6 13.6 48.0 52.0 36 39 A S G > S+ 0 0 68 1,-0.3 3,-1.0 -3,-0.3 -1,-0.3 0.694 84.5 69.8 -57.8 -20.2 11.9 50.4 49.7 37 40 A N G < S+ 0 0 109 -3,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.450 91.0 61.6 -78.3 1.9 15.3 51.7 48.6 38 41 A D G <> S+ 0 0 1 -3,-2.2 4,-3.3 1,-0.1 -1,-0.2 0.460 73.9 95.1-101.7 -7.5 15.9 48.3 46.8 39 42 A I H <> S+ 0 0 72 -3,-1.0 4,-1.6 -4,-0.2 -2,-0.1 0.892 86.9 46.0 -51.1 -46.2 13.0 48.7 44.4 40 43 A P H > S+ 0 0 85 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.941 113.1 49.8 -64.2 -45.7 15.2 50.2 41.7 41 44 A A H >4 S+ 0 0 18 -4,-0.3 3,-1.6 1,-0.2 4,-0.4 0.937 107.5 55.3 -56.1 -46.5 17.8 47.4 42.2 42 45 A W H >< S+ 0 0 12 -4,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.860 101.6 58.4 -54.4 -38.4 15.1 44.8 42.0 43 46 A Q H 3< S+ 0 0 130 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.732 99.3 58.6 -65.6 -23.5 14.1 46.2 38.6 44 47 A T T << S+ 0 0 81 -3,-1.6 -1,-0.3 -4,-0.8 2,-0.2 0.498 86.0 96.9 -87.0 -2.8 17.6 45.5 37.3 45 48 A L S < S- 0 0 10 -3,-1.4 5,-0.0 -4,-0.4 -3,-0.0 -0.619 79.9-112.8 -85.1 146.0 17.4 41.8 38.0 46 49 A S > - 0 0 56 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.227 29.4-106.9 -70.1 165.2 16.4 39.3 35.2 47 50 A A H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 123.6 51.9 -60.1 -38.6 13.1 37.5 35.5 48 51 A A H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 109.1 49.3 -65.1 -40.0 15.1 34.3 36.2 49 52 A E H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 109.3 52.2 -68.8 -33.6 17.0 36.1 39.0 50 53 A Q H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 110.6 46.7 -68.6 -45.1 13.8 37.4 40.6 51 54 A Q H X S+ 0 0 101 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.934 111.1 52.8 -61.1 -46.6 12.2 34.0 40.7 52 55 A L H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.920 110.2 48.1 -53.6 -47.8 15.4 32.5 42.2 53 56 A T H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.927 111.6 48.8 -61.1 -48.0 15.4 35.1 44.9 54 57 A I H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.919 113.0 47.1 -60.9 -44.8 11.8 34.7 45.8 55 58 A R H X S+ 0 0 71 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.937 111.2 51.5 -62.9 -45.2 12.1 30.9 46.0 56 59 A V H X S+ 0 0 3 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.947 112.9 45.3 -56.2 -48.8 15.2 31.0 48.1 57 60 A F H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.826 109.2 54.1 -66.6 -32.8 13.6 33.4 50.6 58 61 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 107.3 53.8 -67.7 -35.9 10.4 31.4 50.8 59 62 A G H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 108.8 46.8 -62.1 -43.9 12.6 28.4 51.6 60 63 A L H X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.888 108.2 57.6 -65.9 -36.2 14.2 30.4 54.5 61 64 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 234,-0.4 0.911 104.9 50.3 -60.0 -44.3 10.7 31.4 55.6 62 65 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.951 110.4 50.5 -58.5 -50.0 9.7 27.8 56.0 63 66 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.907 113.3 43.4 -56.1 -48.1 12.8 27.0 58.0 64 67 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.823 109.1 57.6 -69.6 -30.6 12.3 29.9 60.5 65 68 A T H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.931 110.5 44.9 -62.7 -43.0 8.6 29.2 60.8 66 69 A I H X>S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-2.4 0.928 112.6 50.1 -64.9 -44.3 9.6 25.7 61.9 67 70 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.3 3,-0.2 -1,-0.2 0.854 113.9 46.7 -63.3 -34.4 12.2 27.1 64.3 68 71 A N H <5S+ 0 0 14 -4,-2.4 -2,-0.2 27,-0.2 -1,-0.2 0.923 124.0 31.8 -70.6 -47.3 9.7 29.5 65.7 69 72 A I H <5S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.926 140.3 2.2 -77.0 -54.7 7.0 26.8 66.1 70 73 A A T X5S+ 0 0 17 -4,-3.1 4,-1.5 -5,-0.2 -3,-0.2 0.774 121.4 57.8-108.9 -40.1 8.8 23.5 66.8 71 74 A G H >>>< S+ 0 0 21 -4,-0.9 3,-0.8 -3,-0.4 -2,-0.2 0.789 91.2 56.0 -62.5 -27.8 12.7 24.9 76.3 77 80 A A G 3 S+ 0 0 87 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.653 108.1 49.7 -78.3 -13.9 11.7 21.7 78.0 78 81 A D G < S+ 0 0 39 -3,-1.6 -1,-0.2 66,-0.1 -2,-0.2 0.277 79.2 129.3-106.1 7.9 15.4 20.6 78.0 79 82 A A < - 0 0 20 -3,-0.8 -3,-0.0 -4,-0.2 6,-0.0 -0.407 46.1-156.3 -66.2 138.7 16.8 23.8 79.5 80 83 A I S S+ 0 0 86 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.442 76.1 37.5 -95.9 -1.4 19.1 23.3 82.5 81 84 A T S >> S- 0 0 12 1,-0.1 4,-1.4 -68,-0.0 3,-0.6 -0.993 79.3-123.1-145.0 146.4 18.7 26.7 84.1 82 85 A P H 3> S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.836 112.9 57.8 -60.2 -28.9 15.7 29.0 84.4 83 86 A H H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 99.8 57.6 -69.6 -33.1 17.6 31.8 82.6 84 87 A E H <> S+ 0 0 4 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 0.933 102.5 55.5 -60.5 -45.1 18.2 29.5 79.6 85 88 A E H X S+ 0 0 43 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.881 107.0 49.3 -54.3 -43.7 14.4 29.1 79.3 86 89 A A H X S+ 0 0 2 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.903 111.5 49.0 -63.8 -43.7 13.9 32.9 79.1 87 90 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.908 109.2 52.5 -62.9 -42.9 16.6 33.1 76.4 88 91 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.3 -1,-0.2 0.835 105.7 54.6 -63.8 -30.6 15.0 30.3 74.5 89 92 A S H X S+ 0 0 1 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.3 0.838 108.7 49.3 -72.8 -28.7 11.7 32.2 74.6 90 93 A N H X S+ 0 0 2 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.911 110.1 50.4 -72.7 -41.0 13.5 35.2 73.1 91 94 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.957 109.1 51.3 -59.4 -48.5 15.0 33.0 70.4 92 95 A S H X S+ 0 0 5 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.917 111.1 48.7 -54.3 -45.6 11.6 31.6 69.5 93 96 A F H >X S+ 0 0 0 -4,-1.7 4,-1.7 285,-0.3 3,-0.8 0.947 110.0 49.6 -60.7 -51.4 10.2 35.1 69.2 94 97 A M H 3X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.3 -1,-0.2 0.819 103.2 60.9 -60.4 -31.2 13.0 36.4 67.0 95 98 A E H 3X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.3 0.871 104.5 50.7 -62.9 -32.8 12.6 33.3 64.7 96 99 A A H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.883 112.7 51.7 -63.0 -36.9 10.1 34.6 59.2 100 103 A R H 3X S+ 0 0 20 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.836 98.5 67.4 -68.4 -32.3 8.0 37.8 59.1 101 104 A S H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.811 93.5 57.5 -57.6 -35.8 10.9 39.7 57.5 102 105 A Y H S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.6 0.873 113.1 50.2 -62.8 -38.6 10.6 42.0 51.5 106 109 A F H X5S+ 0 0 4 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.898 110.9 48.9 -68.3 -39.9 7.9 40.3 49.3 107 110 A S H <5S+ 0 0 76 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.4 42.8 -64.6 -43.8 5.4 43.1 50.0 108 111 A T H <5S+ 0 0 51 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.932 130.5 17.0 -70.0 -48.3 8.0 45.8 49.2 109 112 A L H <5S+ 0 0 12 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.830 110.5 62.6 -98.7 -35.7 9.6 44.4 46.1 110 113 A C S < - 0 0 138 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.803 28.8-120.9-101.7 143.7 4.2 41.0 42.9 112 115 A T H > S+ 0 0 96 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.875 111.2 49.0 -49.4 -50.8 1.5 38.9 44.6 113 116 A K H > S+ 0 0 180 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 111.5 51.5 -57.0 -46.9 1.1 36.3 41.8 114 117 A E H > S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.909 113.9 43.3 -55.7 -47.2 4.9 35.9 41.7 115 118 A V H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.4 53.0 -69.4 -42.6 5.1 35.3 45.5 116 119 A D H X S+ 0 0 60 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.899 107.5 52.4 -60.8 -39.8 2.1 33.0 45.7 117 120 A A H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.902 108.0 52.3 -63.2 -38.1 3.6 30.8 43.0 118 121 A A H X S+ 0 0 4 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.902 107.4 50.7 -64.1 -42.7 6.8 30.7 45.1 119 122 A Y H X S+ 0 0 21 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.833 110.2 50.7 -63.8 -31.4 4.9 29.5 48.1 120 123 A A H X S+ 0 0 59 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.868 108.7 52.8 -72.9 -35.8 3.3 26.8 46.0 121 124 A W H >X S+ 0 0 35 -4,-2.1 4,-1.7 1,-0.2 3,-0.9 0.919 106.1 52.2 -62.5 -45.4 6.8 25.8 44.8 122 125 A S H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 167,-0.2 0.801 103.2 59.4 -64.7 -28.3 8.1 25.4 48.3 123 126 A E H 3< S+ 0 0 44 -4,-1.1 166,-1.2 1,-0.2 -1,-0.3 0.780 118.0 29.3 -70.7 -26.1 5.1 23.2 49.2 124 127 A E H << S+ 0 0 145 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.491 84.8 119.1-112.0 -7.7 6.2 20.7 46.5 125 128 A N X - 0 0 17 -4,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.464 54.7-147.8 -64.6 120.5 9.9 21.0 46.2 126 129 A P H > S+ 0 0 94 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.947 91.1 43.2 -54.5 -61.3 11.5 17.6 47.1 127 130 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 114.8 51.6 -55.9 -38.2 14.8 18.7 48.8 128 131 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.888 111.5 46.5 -66.9 -38.2 13.1 21.4 50.8 129 132 A Q H X S+ 0 0 19 -4,-2.0 4,-2.7 -3,-0.3 -1,-0.2 0.923 112.3 51.2 -68.9 -44.4 10.4 19.1 52.1 130 133 A R H X S+ 0 0 99 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.933 110.2 47.2 -60.5 -47.0 13.0 16.5 53.0 131 134 A K H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.923 114.9 46.7 -63.3 -40.7 15.2 18.9 55.0 132 135 A A H X S+ 0 0 4 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.896 113.8 49.8 -64.7 -39.1 12.1 20.3 56.8 133 136 A Q H X S+ 0 0 61 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.925 109.6 50.2 -63.5 -50.3 10.9 16.7 57.5 134 137 A I H X S+ 0 0 10 -4,-3.0 4,-1.1 2,-0.2 3,-0.3 0.966 115.5 40.4 -55.2 -59.4 14.3 15.5 58.8 135 138 A I H >X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 3,-1.0 0.932 114.2 52.9 -57.6 -48.8 14.8 18.4 61.3 136 139 A L H 3X S+ 0 0 15 -4,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.825 102.9 59.5 -58.7 -32.1 11.1 18.4 62.4 137 140 A A H 3X S+ 0 0 53 -4,-2.0 4,-0.6 -3,-0.3 -1,-0.3 0.828 107.2 46.2 -66.7 -31.1 11.3 14.6 63.1 138 141 A H H << S+ 0 0 34 -4,-1.1 3,-0.2 -3,-1.0 -2,-0.2 0.843 107.2 58.8 -78.8 -32.2 14.1 15.3 65.6 139 142 A Y H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.776 110.8 40.1 -66.6 -29.2 12.1 18.2 67.2 140 143 A V H < S+ 0 0 109 -4,-1.3 -1,-0.2 7,-0.0 -2,-0.2 0.569 100.9 100.0 -95.2 -11.1 9.1 16.0 68.1 141 144 A S S < S- 0 0 35 -4,-0.6 -3,-0.1 -3,-0.2 6,-0.0 0.153 81.1-114.7 -65.1-172.8 11.3 13.1 69.2 142 145 A D S S+ 0 0 153 1,-0.1 -1,-0.1 4,-0.0 -4,-0.1 0.517 85.5 92.3-103.9 -10.7 12.3 12.0 72.7 143 146 A E >> - 0 0 97 -5,-0.2 4,-1.3 1,-0.2 3,-0.7 -0.766 52.9-167.9 -96.8 102.9 16.1 12.7 72.5 144 147 A P H 3> S+ 0 0 47 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.833 85.7 52.2 -53.6 -43.0 17.1 16.2 73.7 145 148 A L H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.785 107.8 52.5 -70.5 -25.8 20.7 16.1 72.4 146 149 A K H <> S+ 0 0 43 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.787 105.4 55.3 -77.6 -27.3 19.5 15.2 69.0 147 150 A K H X S+ 0 0 21 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.923 109.8 46.8 -68.3 -42.2 17.1 18.1 69.0 148 151 A K H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.868 110.7 51.0 -67.2 -37.4 20.1 20.4 69.7 149 152 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.934 113.2 46.1 -65.0 -43.4 22.2 18.8 67.0 150 153 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 110.8 53.3 -63.7 -44.3 19.4 19.3 64.5 151 154 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.925 108.7 48.4 -58.0 -46.8 18.8 22.8 65.7 152 155 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.5 0.886 112.0 49.5 -63.9 -37.4 22.5 23.8 65.2 153 156 A F H X>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-1.1 0.868 111.0 50.7 -67.7 -36.5 22.5 22.3 61.7 154 157 A L H <>S+ 0 0 1 -4,-2.3 5,-2.2 3,-0.2 -2,-0.2 0.942 121.7 32.2 -66.9 -44.4 19.3 24.2 60.9 155 158 A E H <>S+ 0 0 0 -4,-2.6 5,-1.1 3,-0.2 -2,-0.2 0.952 127.5 34.0 -79.5 -51.2 20.8 27.5 62.0 156 159 A S H <5S+ 0 0 0 -4,-3.2 102,-0.3 -5,-0.2 -3,-0.2 0.638 135.0 19.0 -82.5 -13.5 24.5 27.3 61.3 157 160 A F T X5S+ 0 0 0 -4,-1.1 4,-1.6 -5,-0.5 -3,-0.2 0.738 124.5 39.1-119.3 -63.6 24.2 25.2 58.1 158 161 A L H >>4< S+ 0 0 4 -4,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.834 95.2 55.3 -51.5 -36.8 23.6 28.7 53.1 162 165 A G H << S+ 0 0 9 -3,-2.7 3,-0.4 -4,-0.7 -1,-0.3 0.595 93.0 72.7 -74.3 -9.1 20.6 30.7 51.8 163 166 A F T S+ 0 0 5 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.2 0.924 86.4 53.4 -56.6 -47.6 24.8 33.6 49.7 165 168 A L H > S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.2 5,-0.2 0.934 109.3 43.2 -57.9 -55.7 22.4 35.1 47.1 166 169 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.873 116.1 51.9 -61.2 -31.7 21.6 38.4 48.9 167 170 A M H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.867 108.9 49.4 -71.6 -35.0 25.2 38.8 49.7 168 171 A Y H >X S+ 0 0 41 -4,-2.4 4,-0.7 2,-0.2 3,-0.7 0.971 112.2 47.1 -66.1 -52.8 26.3 38.2 46.1 169 172 A F H ><>S+ 0 0 3 -4,-2.5 5,-2.9 1,-0.3 3,-1.5 0.896 108.8 55.7 -54.1 -43.4 23.8 40.8 44.8 170 173 A S H ><5S+ 0 0 21 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.828 100.6 58.1 -60.7 -32.6 25.0 43.2 47.4 171 174 A S H <<5S+ 0 0 51 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.697 107.7 48.1 -71.0 -17.9 28.5 42.9 46.2 172 175 A R T <<5S- 0 0 162 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.342 126.8-104.1 -98.7 0.7 27.2 44.0 42.8 173 176 A G T < 5S+ 0 0 51 -3,-1.3 2,-0.4 1,-0.3 3,-0.3 0.676 81.7 126.9 85.4 18.0 25.4 46.9 44.5 174 177 A K S S+ 0 0 2 -2,-0.4 4,-2.2 -137,-0.2 -5,-0.2 0.872 74.9 159.6 54.2 42.2 19.4 44.7 47.1 176 179 A T H > + 0 0 52 -3,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.833 69.4 48.9 -64.1 -34.7 21.8 46.3 49.6 177 180 A N H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 109.9 50.7 -75.6 -33.5 19.1 47.0 52.2 178 181 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 109.6 53.1 -66.5 -39.4 17.7 43.5 51.9 179 182 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.870 106.1 52.8 -61.4 -38.1 21.3 42.4 52.5 180 183 A D H X S+ 0 0 64 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.903 108.3 49.8 -64.0 -40.6 21.4 44.6 55.6 181 184 A L H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-0.6 0.911 108.2 53.3 -64.5 -41.5 18.3 42.9 56.9 182 185 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.841 104.5 55.4 -62.9 -33.7 19.9 39.5 56.3 183 186 A R H 3X S+ 0 0 61 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.778 104.4 54.1 -70.8 -23.0 22.9 40.6 58.3 184 187 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 3,-0.5 0.927 112.0 50.3 -64.6 -44.7 19.2 37.8 60.8 186 189 A I H 3X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.856 102.4 60.0 -61.9 -37.1 22.8 36.5 60.8 187 190 A R H 3X S+ 0 0 98 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.852 114.1 37.7 -60.8 -32.8 23.7 38.4 63.9 188 191 A D H X S+ 0 0 37 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.935 107.6 52.4 -62.0 -45.1 27.7 20.8 78.5 203 206 A A H >< S+ 0 0 25 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.855 104.8 58.8 -59.2 -34.3 25.1 17.9 78.2 204 207 A L H >< S+ 0 0 18 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.817 96.3 59.5 -63.5 -34.2 27.9 15.8 76.6 205 208 A Q H << S+ 0 0 138 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.750 99.1 59.7 -67.5 -22.8 30.2 16.1 79.6 206 209 A K T << S+ 0 0 138 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.3 0.242 98.0 80.5 -88.6 12.4 27.5 14.5 81.7 207 210 A L S < S- 0 0 48 -3,-1.5 -3,-0.0 1,-0.1 5,-0.0 -0.787 85.8 -97.8-119.7 162.8 27.6 11.4 79.5 208 211 A S > - 0 0 52 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.243 36.1-112.1 -70.4 164.6 29.7 8.2 79.2 209 212 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.858 120.5 56.6 -66.3 -33.9 32.5 8.1 76.6 210 213 A I H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 109.6 46.1 -64.0 -36.3 30.4 5.4 74.8 211 214 A E H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.851 109.0 52.0 -76.4 -37.0 27.5 7.8 74.6 212 215 A R H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 110.4 51.9 -64.7 -38.8 29.5 10.8 73.4 213 216 A E H X S+ 0 0 118 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.886 106.7 51.7 -63.7 -42.2 30.9 8.6 70.7 214 217 A E H X S+ 0 0 126 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.885 112.2 47.0 -63.3 -38.4 27.4 7.5 69.6 215 218 A L H X S+ 0 0 22 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.885 108.4 54.6 -71.6 -37.6 26.3 11.2 69.4 216 219 A K H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 111.6 44.5 -60.4 -46.2 29.4 12.2 67.4 217 220 A L H X S+ 0 0 103 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.877 112.6 52.1 -65.1 -39.2 28.7 9.5 64.8 218 221 A F H X S+ 0 0 37 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.941 108.1 52.7 -60.7 -46.3 25.1 10.5 64.8 219 222 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.924 110.7 45.9 -55.4 -50.3 26.1 14.1 64.2 220 223 A L H X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.884 112.9 49.1 -64.1 -40.1 28.3 13.3 61.2 221 224 A D H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.913 112.2 48.0 -66.5 -41.7 25.7 11.0 59.6 222 225 A L H X S+ 0 0 4 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.927 111.1 52.4 -63.3 -43.1 22.9 13.6 60.0 223 226 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 -5,-0.3 5,-0.2 0.925 109.3 47.8 -58.6 -47.9 25.2 16.2 58.5 224 227 A M H X S+ 0 0 81 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.889 112.6 50.2 -62.5 -37.0 26.1 14.1 55.4 225 228 A E H X S+ 0 0 77 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.965 116.8 39.6 -64.3 -50.9 22.4 13.4 54.9 226 229 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.870 116.0 53.6 -65.7 -36.8 21.5 17.2 55.2 227 230 A Y H X S+ 0 0 33 -4,-3.3 4,-2.1 -5,-0.3 -2,-0.2 0.951 110.3 43.4 -64.4 -53.3 24.5 18.2 53.2 228 231 A D H X S+ 0 0 69 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.882 114.1 51.1 -64.2 -35.1 23.9 16.0 50.2 229 232 A N H X S+ 0 0 6 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.829 109.1 52.5 -68.6 -28.9 20.3 16.9 50.2 230 233 A E H X S+ 0 0 6 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.849 104.9 55.0 -74.9 -32.9 21.4 20.6 50.3 231 234 A I H X S+ 0 0 16 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.940 110.0 46.1 -62.3 -45.0 23.6 20.0 47.3 232 235 A R H X S+ 0 0 117 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.891 112.3 50.6 -64.4 -40.6 20.6 18.6 45.3 233 236 A Y H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.947 113.3 46.9 -60.3 -48.3 18.5 21.6 46.5 234 237 A T H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.901 108.5 52.9 -61.8 -46.0 21.3 23.9 45.4 235 238 A E H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.5 44.6 -62.4 -32.8 21.8 22.3 42.0 236 239 A A H >< S+ 0 0 63 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.912 115.8 44.9 -78.0 -44.2 18.1 22.6 41.2 237 240 A L H 3< S+ 0 0 22 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.955 122.5 35.0 -64.3 -50.7 17.7 26.2 42.4 238 241 A Y T 3X S+ 0 0 6 -4,-2.5 4,-0.9 1,-0.2 6,-0.5 0.068 76.2 129.9 -93.0 24.2 20.8 27.7 40.8 239 242 A A T <4 S+ 0 0 59 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.1 0.880 83.1 29.3 -44.2 -45.9 20.6 25.5 37.7 240 243 A E T 4 S+ 0 0 150 -3,-0.4 2,-1.2 -4,-0.2 4,-0.2 0.868 99.3 75.7 -77.4 -96.4 21.0 28.6 35.6 241 244 A T T 4 S- 0 0 42 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.191 87.6-127.7 21.4 -59.0 23.0 31.3 37.4 242 245 A G S < S+ 0 0 61 -2,-1.2 -1,-0.2 -4,-0.9 4,-0.1 0.580 87.0 103.3 93.9 14.2 26.5 29.8 37.0 243 246 A W >> + 0 0 32 -5,-0.4 4,-2.3 1,-0.1 3,-0.6 0.393 38.9 104.9-108.9 1.3 26.8 30.2 40.7 244 247 A V H 3> S+ 0 0 27 -6,-0.5 4,-2.4 1,-0.3 5,-0.2 0.899 81.6 48.6 -50.0 -49.5 26.2 26.5 41.8 245 248 A N H 3> S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.832 109.9 52.3 -65.9 -29.0 29.9 25.8 42.5 246 249 A D H <> S+ 0 0 64 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.921 110.3 48.2 -70.6 -41.3 30.2 29.0 44.6 247 250 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 108.0 54.9 -64.9 -40.4 27.2 28.1 46.7 248 251 A K H X S+ 0 0 48 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.939 107.7 49.0 -57.2 -47.5 28.5 24.5 47.2 249 252 A A H X S+ 0 0 17 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.847 109.8 52.6 -59.8 -34.7 31.8 25.9 48.6 250 253 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.878 105.0 56.2 -68.9 -37.6 29.7 28.2 50.9 251 254 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 108.6 45.9 -58.6 -48.3 27.8 25.1 52.1 252 255 A C H X S+ 0 0 2 -4,-2.0 4,-2.3 20,-0.4 16,-0.3 0.911 110.2 55.0 -62.0 -42.4 31.0 23.4 53.2 253 256 A Y H X S+ 0 0 58 -4,-2.0 4,-1.3 19,-0.2 -1,-0.2 0.918 113.8 39.9 -57.1 -47.8 32.2 26.6 54.9 254 257 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.790 108.8 60.3 -74.3 -29.3 29.1 26.8 57.0 255 258 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.919 104.4 51.8 -63.9 -40.1 28.9 23.1 57.6 256 259 A N H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.918 109.8 48.7 -62.4 -39.7 32.3 23.5 59.3 257 260 A K H X S+ 0 0 39 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.900 109.2 52.2 -66.9 -37.8 31.0 26.3 61.4 258 261 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 -102,-0.3 -2,-0.2 0.952 110.3 49.6 -61.6 -46.8 28.0 24.2 62.4 259 262 A L H ><>S+ 0 0 1 -4,-2.6 5,-2.4 1,-0.2 3,-0.7 0.903 111.0 47.5 -58.9 -43.3 30.3 21.4 63.4 260 263 A M H ><5S+ 0 0 100 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.819 103.4 61.2 -71.6 -28.3 32.5 23.6 65.6 261 264 A N H 3<5S+ 0 0 26 -4,-2.0 -1,-0.3 1,-0.3 -60,-0.2 0.761 105.3 50.9 -65.6 -21.2 29.5 25.2 67.3 262 265 A L T <<5S- 0 0 1 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.503 127.0-104.0 -91.5 -5.4 28.9 21.6 68.4 263 266 A G T < 5S+ 0 0 41 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.517 82.0 124.2 94.9 7.6 32.4 21.2 69.7 264 267 A Y < - 0 0 32 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.566 64.2 -99.4 -98.7 164.4 33.7 19.1 66.8 265 268 A E - 0 0 156 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.499 48.7 -86.3 -81.8 150.5 36.6 19.7 64.4 266 269 A A - 0 0 55 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.204 38.5-168.4 -52.2 144.4 36.1 21.1 60.9 267 270 A L + 0 0 72 -15,-0.2 -1,-0.1 1,-0.1 -15,-0.0 0.693 61.2 72.4-110.7 -31.5 35.3 18.3 58.4 268 271 A F S S- 0 0 18 -16,-0.3 -1,-0.1 -15,-0.1 5,-0.1 -0.794 79.1-126.8 -95.2 128.4 35.6 20.0 55.0 269 272 A P >> - 0 0 47 0, 0.0 3,-2.5 0, 0.0 4,-1.1 -0.231 28.8-104.0 -66.1 156.3 39.1 20.8 53.7 270 273 A P T 34 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.780 118.4 65.2 -52.3 -30.2 39.9 24.4 52.5 271 274 A E T 34 S+ 0 0 152 1,-0.2 3,-0.1 2,-0.2 -22,-0.0 0.660 108.7 39.4 -70.8 -13.9 39.8 23.3 48.9 272 275 A M T <4 S+ 0 0 83 -3,-2.5 -20,-0.4 1,-0.1 -19,-0.2 0.625 118.3 46.3-105.9 -17.5 36.0 22.6 49.3 273 276 A A S < S+ 0 0 14 -4,-1.1 2,-0.9 -21,-0.2 -2,-0.2 -0.081 70.5 137.8-116.8 33.6 35.2 25.5 51.5 274 277 A D - 0 0 117 -3,-0.1 2,-0.4 -4,-0.1 -25,-0.1 -0.706 35.7-164.4 -83.3 104.8 36.9 28.4 49.7 275 278 A V - 0 0 12 -2,-0.9 5,-0.1 -26,-0.1 -2,-0.1 -0.770 29.1-103.6 -94.6 132.6 34.5 31.3 49.7 276 279 A N >> - 0 0 70 -2,-0.4 4,-2.0 1,-0.2 3,-1.3 -0.272 27.4-129.3 -52.2 128.3 35.0 34.2 47.4 277 280 A P H 3> S+ 0 0 95 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.749 108.3 62.8 -53.2 -24.8 36.4 37.1 49.5 278 281 A A H 3> S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.897 105.7 44.1 -68.2 -40.2 33.7 39.3 48.0 279 282 A I H <4 S+ 0 0 4 -3,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.923 116.5 46.3 -69.1 -45.4 31.0 37.1 49.6 280 283 A L H >X S+ 0 0 63 -4,-2.0 4,-0.9 2,-0.2 3,-0.7 0.916 113.4 50.2 -63.1 -42.9 32.9 37.0 52.9 281 284 A A H 3< S+ 0 0 81 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.990 114.7 41.3 -57.2 -64.1 33.5 40.7 52.8 282 285 A A T 3< S+ 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.477 112.7 67.8 -64.1 -0.7 29.9 41.6 52.1 283 286 A L T <4 - 0 0 0 -3,-0.7 -2,-0.2 -4,-0.4 -3,-0.1 0.946 56.2-175.2 -86.2 -84.9 28.9 39.0 54.6 284 287 A S < + 0 0 84 -4,-0.9 -3,-0.1 -98,-0.0 -4,-0.1 0.964 37.0 151.3 76.1 64.7 29.6 39.4 58.3 285 288 A P 0 0 29 0, 0.0 -95,-0.0 0, 0.0 -5,-0.0 0.289 360.0 360.0 -96.6-140.9 28.3 35.9 59.4 286 289 A N 0 0 65 -130,-0.1 -96,-0.0 -96,-0.0 -32,-0.0 0.976 360.0 360.0 -58.5 360.0 29.3 33.5 62.2 287 !* 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 0.0 288 2 B K > 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-108.4 7.0 20.8 53.4 289 3 B L T 3 - 0 0 83 -166,-1.2 -165,-0.1 1,-0.3 -164,-0.0 -0.243 360.0 -22.1 59.1-147.1 3.9 19.1 52.2 290 4 B S T 3 S+ 0 0 127 3,-0.0 -1,-0.3 -167,-0.0 3,-0.1 0.445 122.4 88.2 -74.2 1.6 1.0 19.0 54.7 291 5 B R S < S- 0 0 128 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.735 101.3 -24.7 -67.0-121.7 3.4 19.5 57.6 292 6 B I - 0 0 31 -4,-0.2 2,-0.3 3,-0.0 -1,-0.3 -0.810 67.7-151.8 -96.0 136.8 4.3 23.0 58.6 293 7 B S - 0 0 54 -2,-0.4 2,-0.1 -3,-0.1 3,-0.1 -0.809 28.4 -92.8-108.7 152.4 3.9 25.7 55.9 294 8 B A - 0 0 9 -2,-0.3 -232,-0.2 -175,-0.2 2,-0.1 -0.393 47.4-114.6 -61.9 131.0 5.9 28.9 55.5 295 9 B I - 0 0 11 -234,-0.4 2,-0.5 -2,-0.1 -1,-0.1 -0.423 26.0-155.8 -69.3 143.3 4.0 31.7 57.2 296 10 B N > - 0 0 22 3,-0.2 3,-1.1 -2,-0.1 76,-0.1 -0.932 13.3-173.8-124.4 106.8 2.7 34.5 54.9 297 11 B W T 3 S+ 0 0 7 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.433 84.0 66.1 -80.5 3.4 2.1 37.9 56.4 298 12 B N T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -186,-0.0 -186,-0.0 0.108 98.2 55.8-106.5 17.1 0.5 39.2 53.2 299 13 B K S < S- 0 0 91 -3,-1.1 -1,-0.2 0, 0.0 -3,-0.2 -0.411 76.6-179.2-142.9 55.5 -2.4 36.8 53.7 300 14 B I - 0 0 39 -3,-0.3 3,-0.2 1,-0.1 -3,-0.1 -0.355 16.0-162.8 -60.0 138.2 -3.7 37.7 57.1 301 15 B Q S S+ 0 0 126 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.603 82.4 22.4 -99.9 -16.3 -6.6 35.5 58.1 302 16 B D S >> S- 0 0 41 1,-0.1 3,-2.7 0, 0.0 4,-0.8 -0.836 71.1-145.9-152.3 109.3 -7.8 37.8 60.9 303 17 B D H >> S+ 0 0 120 -2,-0.3 4,-2.1 1,-0.3 3,-0.6 0.798 97.0 66.0 -44.3 -38.2 -6.8 41.5 60.9 304 18 B K H 3> S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.752 92.3 61.6 -61.4 -23.3 -6.6 41.6 64.7 305 19 B D H <> S+ 0 0 0 -3,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.923 108.8 42.6 -66.3 -42.7 -3.6 39.2 64.6 306 20 B L H < S+ 0 0 3 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.892 111.9 54.0 -72.0 -37.9 6.4 44.6 68.8 314 28 B S H 3< S+ 0 0 85 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.846 107.4 53.1 -61.3 -33.7 6.2 48.4 68.5 315 29 B N T 3< S+ 0 0 29 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.152 79.5 145.1 -88.2 17.4 6.0 48.5 72.3 316 30 B F < + 0 0 41 -3,-1.6 2,-0.3 -5,-0.0 -3,-0.1 -0.230 19.3 154.1 -55.5 146.9 9.2 46.5 72.9 317 31 B W - 0 0 12 156,-0.0 -2,-0.0 66,-0.0 69,-0.0 -0.981 31.4-145.0-167.7 163.7 11.3 47.5 75.8 318 32 B L > - 0 0 4 -2,-0.3 3,-1.8 1,-0.0 4,-0.1 -0.956 32.0-114.9-135.3 153.1 13.8 46.3 78.4 319 33 B P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 5,-0.3 0.779 112.0 70.1 -59.1 -24.0 14.3 47.3 82.1 320 34 B E G 3 S+ 0 0 101 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.754 86.8 66.4 -64.4 -25.5 17.7 48.8 81.2 321 35 B K G < S+ 0 0 134 -3,-1.8 -1,-0.3 2,-0.1 0, 0.0 0.440 89.2 81.3 -76.9 0.1 15.8 51.5 79.3 322 36 B V S < S- 0 0 15 -3,-1.8 2,-3.4 -4,-0.1 3,-0.3 -0.938 79.9-136.0-113.9 119.9 14.5 52.7 82.7 323 37 B P > + 0 0 64 0, 0.0 3,-1.3 0, 0.0 143,-0.1 -0.330 40.3 162.0 -68.5 64.6 16.7 55.0 84.9 324 38 B L G > + 0 0 7 -2,-3.4 3,-2.3 -5,-0.3 4,-0.2 0.871 61.8 71.4 -54.3 -40.3 15.7 52.9 88.0 325 39 B S G > S+ 0 0 62 1,-0.3 3,-2.5 -3,-0.3 -1,-0.3 0.796 80.5 72.7 -47.8 -35.5 18.6 54.3 89.9 326 40 B N G < S+ 0 0 104 -3,-1.3 4,-0.3 1,-0.3 -1,-0.3 0.499 92.4 59.9 -61.1 -1.1 16.9 57.7 90.2 327 41 B D G <> S+ 0 0 2 -3,-2.3 4,-2.0 2,-0.1 -1,-0.3 0.508 76.4 92.4-102.2 -10.6 14.6 56.0 92.7 328 42 B I H <> S+ 0 0 69 -3,-2.5 4,-1.1 -4,-0.2 -2,-0.1 0.909 85.3 49.3 -51.6 -49.6 17.3 55.1 95.1 329 43 B P H >4 S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.960 112.6 45.7 -57.0 -53.1 17.0 58.3 97.2 330 44 B A H >4 S+ 0 0 26 -4,-0.3 3,-1.4 1,-0.2 -2,-0.2 0.794 102.5 68.6 -61.2 -29.1 13.2 58.0 97.6 331 45 B W H >< S+ 0 0 9 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.870 93.0 55.4 -60.6 -38.9 13.5 54.4 98.4 332 46 B Q T << S+ 0 0 118 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.546 89.1 77.8 -72.8 -4.8 15.1 55.0 101.8 333 47 B T T < S+ 0 0 77 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.380 82.5 90.5 -82.8 5.2 12.2 57.2 102.8 334 48 B L S < S- 0 0 11 -3,-1.3 -3,-0.0 1,-0.1 0, 0.0 -0.804 79.9-117.1-105.8 145.4 10.3 54.0 103.4 335 49 B S > - 0 0 58 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.163 33.7-103.8 -69.3 169.2 10.0 52.0 106.7 336 50 B A H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.769 121.0 54.3 -66.4 -27.2 11.3 48.5 107.0 337 51 B A H > S+ 0 0 28 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.915 108.0 46.8 -73.1 -45.3 7.8 47.1 106.8 338 52 B E H > S+ 0 0 44 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 112.4 50.4 -61.8 -50.3 6.9 48.9 103.5 339 53 B Q H X S+ 0 0 27 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.924 112.0 47.0 -54.5 -49.2 10.1 47.9 101.8 340 54 B Q H X S+ 0 0 81 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.915 112.1 50.7 -60.1 -44.7 9.6 44.2 102.8 341 55 B L H >X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.975 111.0 48.7 -56.0 -57.3 5.9 44.3 101.6 342 56 B T H 3X S+ 0 0 4 -4,-3.0 4,-2.3 1,-0.3 -2,-0.2 0.894 110.5 50.5 -49.5 -49.7 7.0 45.8 98.3 343 57 B I H 3X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -1,-0.3 0.830 111.0 48.8 -62.3 -33.5 9.7 43.2 97.8 344 58 B R H S+ 0 0 2 -4,-1.6 4,-3.8 2,-0.2 5,-2.2 0.946 112.8 48.9 -66.9 -49.9 4.8 30.7 84.8 356 70 B Q H <>S+ 0 0 2 -4,-2.8 5,-1.5 3,-0.2 -2,-0.2 0.851 113.5 49.1 -59.1 -36.3 3.3 32.7 82.0 357 71 B N H <5S+ 0 0 6 -4,-3.1 -1,-0.2 27,-0.2 -2,-0.2 0.909 125.7 23.9 -70.2 -45.2 6.6 32.7 80.2 358 72 B I H <5S+ 0 0 36 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.752 140.9 13.9 -95.4 -28.5 7.3 29.0 80.5 359 73 B A T X5S+ 0 0 19 -4,-3.8 4,-1.2 -5,-0.3 -3,-0.2 0.757 121.5 47.8-116.9 -44.9 3.9 27.4 80.9 360 74 B G H >>> S+ 0 0 38 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.803 105.1 51.6 -62.8 -32.3 3.4 28.4 75.5 363 77 B S H << S+ 0 0 20 -3,-2.5 4,-0.2 -4,-1.2 -2,-0.2 0.728 103.6 58.3 -78.5 -21.0 0.4 26.2 76.3 364 78 B L H X< S+ 0 0 1 -4,-1.3 3,-0.9 -3,-0.5 -1,-0.2 0.666 89.9 79.2 -78.9 -16.1 -1.9 28.6 74.4 365 79 B M H >< S+ 0 0 33 -4,-0.6 3,-2.3 -3,-0.3 -1,-0.2 0.937 85.8 53.5 -54.6 -56.2 0.3 27.9 71.4 366 80 B A T 3< S+ 0 0 87 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.666 107.8 55.2 -56.7 -16.9 -1.2 24.6 70.4 367 81 B D T < S+ 0 0 36 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.378 75.7 125.2-100.3 3.0 -4.6 26.3 70.4 368 82 B A < - 0 0 24 -3,-2.3 -3,-0.0 -4,-0.2 4,-0.0 -0.268 46.1-158.9 -60.5 150.3 -3.8 29.0 68.0 369 83 B I S S+ 0 0 82 1,-0.1 -1,-0.1 0, 0.0 3,-0.0 0.365 74.3 37.8-113.2 2.6 -6.2 29.2 65.0 370 84 B T S > S- 0 0 12 1,-0.1 4,-1.3 -68,-0.0 3,-0.4 -0.978 79.7-121.5-147.4 150.7 -4.0 31.1 62.6 371 85 B P H > S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.855 113.8 56.7 -62.3 -33.2 -0.2 31.0 62.0 372 86 B H H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.840 100.8 56.4 -68.2 -33.0 0.0 34.7 62.9 373 87 B E H > S+ 0 0 2 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.865 104.2 54.6 -64.9 -38.6 -1.5 34.1 66.3 374 88 B E H X S+ 0 0 48 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.911 108.9 46.5 -62.4 -42.9 1.2 31.5 67.0 375 89 B A H X S+ 0 0 1 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.863 112.1 52.4 -66.9 -35.8 3.9 34.1 66.2 376 90 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.903 107.1 51.2 -65.7 -43.1 2.0 36.6 68.4 377 91 B L H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.840 105.4 56.4 -64.8 -31.8 1.9 34.2 71.3 378 92 B S H X S+ 0 0 3 -4,-1.5 4,-1.7 2,-0.2 -285,-0.3 0.844 107.9 48.6 -70.4 -30.4 5.7 33.7 71.0 379 93 B N H X S+ 0 0 2 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.935 111.0 50.1 -71.2 -43.9 6.2 37.5 71.4 380 94 B I H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.945 109.3 51.2 -57.9 -48.1 3.9 37.5 74.4 381 95 B S H X S+ 0 0 5 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.884 111.0 49.2 -57.0 -40.7 5.8 34.6 75.9 382 96 B F H >X S+ 0 0 0 -4,-1.7 4,-1.5 -293,-0.2 3,-1.0 0.943 108.4 51.3 -64.1 -49.8 9.1 36.5 75.4 383 97 B M H 3X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.787 101.3 63.0 -60.1 -26.2 7.8 39.7 76.9 384 98 B E H 3X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.3 0.877 102.6 50.3 -65.7 -34.3 6.7 37.7 80.0 385 99 B A H X S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 4,-0.9 0.912 112.5 52.4 -55.9 -47.0 9.9 38.9 85.2 389 103 B R H >X S+ 0 0 23 -4,-2.8 4,-1.4 1,-0.3 3,-0.5 0.861 98.9 67.3 -60.0 -34.0 13.5 39.9 84.6 390 104 B S H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.839 94.1 56.8 -56.1 -35.2 12.4 43.5 85.3 391 105 B Y H > - 0 0 126 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.925 27.8-126.5-112.2 128.7 20.0 44.2 99.7 401 115 B T H 3> S+ 0 0 88 -2,-0.5 4,-2.9 1,-0.3 3,-0.4 0.816 111.0 46.6 -32.6 -61.4 20.8 40.6 98.8 402 116 B K H 3> S+ 0 0 180 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.904 114.1 50.6 -51.8 -44.7 19.9 39.1 102.2 403 117 B E H <> S+ 0 0 63 -3,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.809 112.4 46.0 -64.0 -34.8 16.7 41.1 102.1 404 118 B V H >X S+ 0 0 7 -4,-2.0 4,-1.5 -3,-0.4 3,-0.8 0.901 107.9 53.6 -77.4 -44.0 15.8 39.9 98.6 405 119 B D H 3X S+ 0 0 53 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.684 101.7 65.8 -64.0 -15.9 16.6 36.2 99.2 406 120 B A H 3X S+ 0 0 50 -4,-0.7 4,-1.4 -5,-0.3 -1,-0.2 0.881 100.3 46.7 -71.9 -41.2 14.1 36.7 102.2 407 121 B A H X S+ 0 0 35 -4,-1.4 4,-2.0 1,-0.2 3,-1.3 0.898 106.9 48.1 -62.9 -45.6 8.7 33.5 101.6 411 125 B S H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 100.8 66.6 -67.3 -31.0 7.1 32.8 98.2 412 126 B E T 3< S+ 0 0 68 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.465 121.2 17.5 -69.9 -0.9 8.3 29.2 98.2 413 127 B E T <4 S+ 0 0 158 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.2 0.461 82.6 126.4-146.0 -11.3 5.9 28.6 101.2 414 128 B N X - 0 0 16 -4,-2.0 4,-2.4 1,-0.1 5,-0.3 -0.400 55.3-142.0 -58.2 111.1 3.3 31.4 101.3 415 129 B P H > S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.878 93.5 44.2 -43.3 -56.1 0.0 29.4 101.3 416 130 B P H >> S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.982 114.6 47.7 -56.8 -60.7 -2.0 31.8 99.2 417 131 B L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.880 112.3 48.2 -45.6 -53.1 0.6 32.4 96.5 418 132 B Q H 3X S+ 0 0 46 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.783 112.5 51.6 -62.1 -27.1 1.5 28.7 96.1 419 133 B R H X S+ 0 0 10 -4,-2.7 4,-1.0 2,-0.2 3,-0.7 0.983 115.6 39.2 -59.6 -64.2 -4.6 26.4 90.4 424 138 B I H >X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 3,-0.8 0.896 114.5 54.7 -54.3 -45.2 -3.7 28.2 87.2 425 139 B L H 3X S+ 0 0 12 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.797 99.8 61.5 -62.2 -30.0 -0.8 25.9 86.4 426 140 B A H - 0 0 98 -5,-0.4 4,-2.2 1,-0.2 3,-0.3 -0.782 44.2-175.1-103.9 83.8 -9.0 22.1 78.0 433 147 B P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.870 79.7 44.6 -47.8 -49.5 -8.1 24.9 75.5 434 148 B L H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.845 110.8 53.2 -71.0 -31.8 -10.8 27.3 76.5 435 149 B K H > S+ 0 0 52 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.891 105.9 55.5 -69.0 -35.3 -10.3 26.9 80.2 436 150 B K H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.909 108.3 48.5 -61.5 -40.2 -6.6 27.6 79.7 437 151 B K H X S+ 0 0 11 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.891 110.9 49.3 -68.3 -37.9 -7.6 30.9 78.0 438 152 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.955 112.8 48.9 -63.4 -47.6 -10.0 31.8 80.9 439 153 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.923 111.2 48.2 -58.4 -47.1 -7.3 31.0 83.4 440 154 B S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.849 110.0 52.0 -65.9 -32.5 -4.7 33.1 81.6 441 155 B V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.893 111.6 47.4 -69.4 -36.1 -7.0 36.1 81.3 442 156 B F H X>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 4,-1.2 0.886 111.1 52.1 -68.1 -39.8 -7.7 35.8 85.0 443 157 B L H <>S+ 0 0 2 -4,-2.5 5,-1.1 3,-0.2 -2,-0.2 0.841 121.5 31.1 -65.6 -34.1 -3.9 35.6 85.6 444 158 B E H <>S+ 0 0 2 -4,-1.8 5,-0.7 3,-0.2 -2,-0.2 0.883 126.2 35.6 -94.0 -45.9 -3.2 38.7 83.6 445 159 B S H <5S+ 0 0 6 -4,-2.9 -3,-0.2 -5,-0.2 102,-0.2 0.621 135.2 16.5 -86.2 -12.2 -6.2 41.0 83.9 446 160 B F T X5S+ 0 0 0 -4,-1.2 4,-1.7 -5,-0.4 -3,-0.2 0.679 124.4 42.2-120.0 -70.6 -7.0 40.2 87.5 447 161 B L T 4>> S+ 0 0 1 -3,-0.5 4,-1.8 1,-0.2 3,-1.2 0.906 109.7 47.3 -45.6 -59.5 1.2 49.8 95.5 455 169 B P H 3> S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.847 111.2 53.1 -54.9 -36.1 3.6 51.1 92.8 456 170 B M H 3X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.719 104.3 55.8 -74.0 -21.8 0.9 53.3 91.3 457 171 B Y H S+ 0 0 8 -4,-1.8 4,-3.8 1,-0.2 5,-1.1 0.851 106.3 58.6 -55.5 -34.9 3.8 56.0 95.2 459 173 B S H <5S+ 0 0 30 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.949 107.7 43.3 -60.6 -51.2 3.5 57.5 91.7 460 174 B S H <5S+ 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N H X S+ 0 0 13 -4,-1.1 4,-1.0 -5,-0.3 -1,-0.2 0.826 111.6 49.0 -72.4 -29.8 -7.5 32.9 97.7 519 233 B E H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.865 106.9 54.8 -75.1 -37.5 -6.5 36.4 96.6 520 234 B I H X S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.911 107.9 49.4 -60.4 -43.3 -8.4 37.9 99.6 521 235 B R H X S+ 0 0 164 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.800 110.8 51.2 -65.6 -30.3 -6.4 35.7 102.0 522 236 B Y H X S+ 0 0 16 -4,-1.0 4,-1.7 2,-0.2 5,-0.3 0.887 112.9 45.1 -73.8 -40.2 -3.2 36.8 100.2 523 237 B T H X S+ 0 0 2 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.917 107.1 55.8 -70.6 -46.2 -4.2 40.5 100.6 524 238 B E H < S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.779 112.9 46.2 -58.3 -26.8 -5.2 40.3 104.3 525 239 B A H >< S+ 0 0 55 -4,-0.8 3,-1.3 -5,-0.2 4,-0.4 0.978 116.5 34.5 -80.3 -68.2 -1.8 38.9 105.0 526 240 B L H 3< S+ 0 0 18 -4,-1.7 3,-0.4 1,-0.3 4,-0.3 0.937 124.4 40.6 -54.6 -56.3 0.8 41.0 103.2 527 241 B Y T 3X>S+ 0 0 7 -4,-1.4 4,-1.6 -5,-0.3 5,-0.9 0.343 86.9 110.3 -78.1 9.6 -0.9 44.4 103.5 528 242 B A T <45S+ 0 0 56 -3,-1.3 5,-0.2 2,-0.2 -1,-0.2 0.948 79.2 38.4 -46.2 -69.1 -1.9 43.5 107.1 529 243 B E T 45S+ 0 0 137 -3,-0.4 -2,-0.1 -4,-0.4 -1,-0.1 0.950 109.6 56.8 -45.0 -85.0 0.3 46.0 108.8 530 244 B T T 45S- 0 0 46 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.666 99.5-127.7 -15.4 -63.5 0.1 49.0 106.6 531 245 B G T <5S+ 0 0 50 -4,-1.6 -1,-0.2 -3,-0.1 -3,-0.1 0.721 79.2 107.8 106.0 33.2 -3.6 49.3 106.8 532 246 B W >>< + 0 0 56 -5,-0.9 4,-2.0 2,-0.1 3,-0.9 0.328 35.0 112.0-118.2 0.5 -4.4 49.4 103.1 533 247 B V H 3> S+ 0 0 19 -6,-0.7 4,-2.9 1,-0.3 5,-0.2 0.830 79.8 53.9 -43.9 -38.1 -6.0 45.9 102.8 534 248 B N H 3> S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.914 104.5 52.8 -65.1 -43.5 -9.3 47.6 102.2 535 249 B D H <> S+ 0 0 64 -3,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.910 114.5 43.7 -56.7 -43.7 -7.8 49.7 99.3 536 250 B V H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 3,-0.3 0.898 107.7 56.0 -70.0 -45.0 -6.6 46.4 97.8 537 251 B K H X S+ 0 0 61 -4,-2.9 4,-1.2 1,-0.3 -1,-0.2 0.841 110.5 48.3 -56.8 -32.4 -9.8 44.4 98.4 538 252 B A H X S+ 0 0 23 -4,-1.8 4,-1.3 2,-0.2 -1,-0.3 0.778 110.9 50.3 -77.1 -28.8 -11.5 47.1 96.4 539 253 B F H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.3 5,-0.3 0.893 102.9 60.2 -75.9 -40.6 -8.9 46.9 93.7 540 254 B L H X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.917 107.2 46.1 -51.6 -47.9 -9.2 43.1 93.4 541 255 B C H X S+ 0 0 1 -4,-1.2 4,-1.4 20,-0.3 3,-0.3 0.886 106.6 58.6 -64.2 -41.0 -12.9 43.5 92.5 542 256 B Y H X S+ 0 0 78 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.899 111.3 40.5 -55.2 -46.4 -12.2 46.3 90.0 543 257 B N H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.666 106.4 64.0 -79.3 -17.9 -9.9 44.1 87.9 544 258 B A H X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.3 -1,-0.2 0.820 104.7 47.5 -74.0 -30.1 -12.1 41.0 88.3 545 259 B N H X S+ 0 0 21 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.832 111.4 49.6 -76.5 -35.3 -14.8 42.8 86.3 546 260 B K H X S+ 0 0 97 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.793 108.3 53.8 -74.8 -28.9 -12.4 44.0 83.6 547 261 B A H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.833 108.1 50.3 -73.0 -33.6 -11.1 40.4 83.3 548 262 B L H <>S+ 0 0 0 -4,-1.1 5,-3.1 1,-0.2 3,-0.4 0.873 106.8 54.9 -70.9 -36.6 -14.7 39.2 82.8 549 263 B M H ><5S+ 0 0 125 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.821 101.7 57.3 -66.2 -31.8 -15.2 41.8 80.1 550 264 B N H 3<5S+ 0 0 31 -4,-1.2 -1,-0.2 1,-0.3 -60,-0.2 0.805 108.3 47.5 -67.7 -28.4 -12.2 40.6 78.2 551 265 B L T 3<5S- 0 0 1 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.467 126.1-106.6 -88.8 -4.0 -13.9 37.2 78.1 552 266 B G T < 5S+ 0 0 39 -3,-0.8 -3,-0.2 -4,-0.3 -2,-0.1 0.547 77.5 128.7 90.7 10.4 -17.1 39.0 77.0 553 267 B Y < - 0 0 29 -5,-3.1 -1,-0.3 -6,-0.1 2,-0.2 -0.404 59.1-100.6 -95.1 170.7 -19.0 38.6 80.3 554 268 B E - 0 0 168 1,-0.1 -1,-0.1 -2,-0.1 -8,-0.0 -0.554 50.6 -79.1 -89.8 156.6 -20.8 41.1 82.5 555 269 B A - 0 0 67 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.206 34.0-165.8 -54.8 136.8 -19.5 42.7 85.6 556 270 B L S S+ 0 0 65 -15,-0.2 -1,-0.1 1,-0.2 -11,-0.0 0.764 74.1 54.9 -95.2 -32.0 -19.6 40.5 88.7 557 271 B F S S- 0 0 15 -16,-0.3 -1,-0.2 -15,-0.1 5,-0.1 -0.916 84.9-127.5-109.7 121.4 -19.0 43.2 91.4 558 272 B P >> - 0 0 53 0, 0.0 3,-2.9 0, 0.0 4,-1.6 -0.262 35.0-101.9 -60.1 150.5 -21.2 46.3 91.5 559 273 B P T 34 S+ 0 0 116 0, 0.0 -17,-0.1 0, 0.0 -2,-0.0 0.686 119.0 71.7 -47.9 -20.1 -19.3 49.6 91.4 560 274 B E T 34 S+ 0 0 164 1,-0.2 3,-0.2 2,-0.1 -3,-0.0 0.760 109.1 30.0 -69.5 -26.2 -19.9 49.8 95.2 561 275 B M T <4 S+ 0 0 90 -3,-2.9 2,-0.6 1,-0.2 -20,-0.3 0.734 117.3 55.3-102.9 -31.7 -17.4 47.0 95.8 562 276 B A S < S+ 0 0 10 -4,-1.6 2,-0.3 -21,-0.2 -1,-0.2 -0.391 77.7 134.7-100.5 54.4 -15.0 47.5 92.9 563 277 B D - 0 0 108 -2,-0.6 2,-0.3 -3,-0.2 -21,-0.1 -0.800 30.4-174.8-103.0 145.0 -14.2 51.2 93.7 564 278 B V - 0 0 11 -2,-0.3 -28,-0.1 -25,-0.1 -2,-0.0 -0.997 36.6 -86.4-142.4 145.9 -10.7 52.6 93.6 565 279 B N > - 0 0 82 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.205 34.0-133.9 -49.7 129.8 -9.0 55.9 94.5 566 280 B P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.769 105.6 56.9 -58.5 -28.8 -9.1 58.2 91.4 567 281 B A H > S+ 0 0 40 2,-0.2 4,-1.0 1,-0.1 -2,-0.1 0.946 107.1 47.3 -68.5 -48.6 -5.4 59.1 91.9 568 282 B I H >> S+ 0 0 1 1,-0.2 3,-1.5 2,-0.2 4,-1.2 0.969 115.1 45.5 -54.5 -57.2 -4.4 55.4 91.8 569 283 B L H 3< S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 105.9 61.8 -56.6 -34.7 -6.5 54.9 88.6 570 284 B A H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.739 103.2 50.6 -66.1 -23.0 -5.1 58.2 87.2 571 285 B A H << 0 0 17 -3,-1.5 -1,-0.2 -4,-1.0 -2,-0.2 0.803 360.0 360.0 -83.7 -32.0 -1.6 56.7 87.3 572 286 B L < 0 0 67 -4,-1.2 -1,-0.2 -3,-0.1 -3,-0.1 -0.301 360.0 360.0 -66.9 360.0 -2.6 53.5 85.5