==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-DEC-05 2FG8 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.M.WANG,C.LI,M.P.ELLENBURG,J.R.RUBLE,J.X.HO,D.C.CARTER . 1392 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1071 76.9 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 . 6 0.4 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 . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 902 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 47 3.4 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 0 0 0 8 8 0 0 0 0 0 0 0 1 7 0 0 0 0 0 0 10 14 0 0 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 . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5 A S 0 0 126 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0-114.2 47.0 29.4 116.1 2 6 A S - 0 0 21 71,-0.5 3,-0.2 1,-0.1 493,-0.0 -0.073 360.0-100.7 -69.5 174.0 43.3 28.7 116.1 3 7 A Q S S+ 0 0 67 1,-0.2 -1,-0.1 492,-0.1 70,-0.0 0.613 121.3 46.2 -71.9 -12.9 41.4 26.9 118.8 4 8 A I S S+ 0 0 6 69,-0.1 -1,-0.2 488,-0.0 488,-0.1 0.685 76.9 119.7-105.0 -21.8 41.5 23.7 116.8 5 9 A R + 0 0 38 68,-0.2 2,-0.3 -3,-0.2 68,-0.1 -0.215 32.4 160.2 -52.1 125.3 45.1 23.5 115.5 6 10 A Q - 0 0 27 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.928 65.3 -14.2-154.1 123.1 46.7 20.3 116.8 7 11 A N S S+ 0 0 59 -2,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.764 90.4 136.5 53.6 31.6 49.8 18.5 115.4 8 12 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 2,-0.1 -0.926 51.1-132.8-110.7 111.4 49.6 20.5 112.3 9 13 A S > - 0 0 21 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.301 7.6-135.0 -66.8 141.2 53.1 21.7 111.3 10 14 A T H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.893 109.0 51.7 -59.8 -38.1 53.8 25.3 110.3 11 15 A D H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.965 108.2 48.0 -63.6 -54.4 55.8 23.9 107.4 12 16 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 108.4 56.6 -56.5 -36.8 53.1 21.6 106.1 13 17 A E H X S+ 0 0 28 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.949 111.7 41.2 -59.3 -49.1 50.6 24.5 106.3 14 18 A A H X S+ 0 0 60 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.892 112.6 58.5 -63.9 -37.8 52.9 26.6 104.0 15 19 A A H X S+ 0 0 27 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.870 105.7 46.6 -60.1 -41.1 53.4 23.4 102.0 16 20 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.923 107.7 55.1 -70.6 -42.7 49.7 22.9 101.2 17 21 A N H X S+ 0 0 17 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.883 110.2 50.1 -55.0 -36.2 49.1 26.6 100.3 18 22 A S H X S+ 0 0 82 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.936 109.2 49.4 -67.3 -46.4 52.0 26.0 97.8 19 23 A L H X S+ 0 0 7 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.867 107.5 54.6 -63.0 -35.0 50.3 22.9 96.5 20 24 A V H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.856 107.3 50.3 -69.5 -30.3 47.0 24.6 96.0 21 25 A N H X S+ 0 0 31 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.837 109.9 51.8 -72.4 -29.7 48.7 27.3 94.0 22 26 A L H X S+ 0 0 33 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.916 112.7 44.1 -70.0 -44.8 50.2 24.4 91.9 23 27 A Y H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.890 111.6 53.1 -67.8 -39.7 46.8 22.8 91.4 24 28 A L H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.974 113.1 45.5 -56.7 -51.8 45.3 26.2 90.6 25 29 A Q H X S+ 0 0 44 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.927 111.4 51.3 -56.1 -49.0 48.0 26.6 88.0 26 30 A A H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.935 109.3 51.3 -54.2 -49.0 47.5 23.1 86.7 27 31 A S H X S+ 0 0 16 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.900 106.3 55.7 -54.0 -44.9 43.8 23.7 86.3 28 32 A Y H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 106.5 49.1 -58.5 -42.1 44.6 26.9 84.4 29 33 A T H X S+ 0 0 18 -4,-1.9 4,-3.4 1,-0.2 -1,-0.2 0.905 109.8 50.9 -69.6 -36.1 46.7 25.1 81.8 30 34 A Y H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.880 107.5 54.3 -67.5 -34.6 44.1 22.4 81.3 31 35 A L H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.952 112.4 43.9 -61.0 -46.9 41.5 25.2 80.7 32 36 A S H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.954 112.0 52.7 -60.6 -50.7 43.9 26.6 78.1 33 37 A L H X S+ 0 0 1 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.910 108.9 52.7 -50.0 -47.6 44.5 23.1 76.7 34 38 A G H < S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.902 110.5 42.1 -58.8 -48.6 40.7 22.6 76.4 35 39 A F H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.709 105.6 65.9 -75.5 -16.6 39.8 25.8 74.4 36 40 A Y H >< S+ 0 0 26 -4,-1.7 3,-1.3 1,-0.2 7,-0.2 0.939 103.8 44.9 -66.6 -44.6 42.8 25.3 72.2 37 41 A F T 3< S+ 0 0 0 -4,-1.4 7,-2.3 1,-0.3 11,-0.3 0.560 105.8 62.9 -76.1 -7.3 41.3 22.1 70.8 38 42 A D T 3 S+ 0 0 25 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.393 78.3 115.0 -95.0 -0.3 37.9 23.9 70.5 39 43 A R S X> S- 0 0 23 -3,-1.3 4,-3.0 -4,-0.2 3,-2.1 -0.476 78.9-119.4 -71.3 141.3 39.4 26.3 68.0 40 44 A D T 34 S+ 0 0 0 555,-0.4 809,-0.3 1,-0.3 -1,-0.1 0.773 113.3 50.5 -51.8 -29.9 37.9 26.1 64.5 41 45 A D T 34 S+ 0 0 47 1,-0.1 -1,-0.3 808,-0.1 486,-0.1 0.050 119.2 34.0-100.6 26.5 41.3 25.3 63.1 42 46 A V T <4 S+ 0 0 7 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.1 0.382 79.3 172.3-134.7 -53.1 42.1 22.4 65.5 43 47 A A < + 0 0 6 -4,-3.0 2,-0.2 -7,-0.2 -5,-0.2 0.856 15.7 145.5 37.0 69.0 38.6 21.1 66.0 44 48 A L >> + 0 0 0 -7,-2.3 4,-2.6 1,-0.2 3,-0.7 -0.587 19.5 178.6-130.2 70.8 39.1 17.9 68.0 45 49 A E H 3> S+ 0 0 83 1,-0.3 4,-2.5 -2,-0.2 5,-0.3 0.823 77.6 56.6 -36.9 -52.0 36.0 17.8 70.2 46 50 A G H 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.926 111.8 39.2 -52.6 -52.4 37.1 14.5 71.8 47 51 A V H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.906 110.7 61.2 -69.1 -35.6 40.5 15.8 73.1 48 52 A S H X S+ 0 0 2 -4,-2.6 4,-2.1 -11,-0.3 -2,-0.2 0.947 107.5 43.5 -53.1 -52.6 39.0 19.2 74.0 49 53 A H H X S+ 0 0 49 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.920 106.0 63.1 -59.9 -44.0 36.6 17.5 76.5 50 54 A F H X S+ 0 0 17 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.923 109.7 40.1 -45.2 -50.8 39.4 15.3 77.8 51 55 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.862 111.8 54.3 -71.8 -35.4 41.2 18.4 79.0 52 56 A R H X S+ 0 0 57 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.928 107.4 52.6 -65.4 -38.1 38.2 20.2 80.2 53 57 A E H X S+ 0 0 88 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.928 109.9 49.2 -60.6 -40.9 37.4 17.2 82.4 54 58 A L H X S+ 0 0 3 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.2 0.857 104.7 57.5 -66.8 -35.8 40.9 17.4 83.7 55 59 A A H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.901 108.4 47.1 -63.2 -38.5 40.6 21.1 84.5 56 60 A E H X S+ 0 0 92 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.882 108.6 55.4 -70.1 -36.2 37.6 20.3 86.6 57 61 A E H X S+ 0 0 60 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.965 108.3 47.7 -59.9 -48.5 39.5 17.5 88.3 58 62 A K H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.884 109.1 54.2 -59.8 -37.6 42.3 19.9 89.2 59 63 A R H X S+ 0 0 33 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.943 106.1 52.0 -60.7 -46.1 39.7 22.4 90.5 60 64 A E H X S+ 0 0 88 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.841 108.0 55.8 -58.7 -33.3 38.3 19.6 92.8 61 65 A G H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.968 108.9 40.6 -66.1 -55.8 41.8 19.0 94.1 62 66 A Y H X S+ 0 0 26 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.846 116.0 52.3 -65.2 -29.3 42.7 22.5 95.2 63 67 A E H X S+ 0 0 58 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.867 109.7 50.0 -70.8 -34.4 39.2 22.9 96.6 64 68 A R H X S+ 0 0 50 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.948 112.7 46.6 -65.4 -48.7 39.7 19.6 98.5 65 69 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.884 110.6 51.8 -60.4 -43.7 43.1 20.9 99.8 66 70 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.876 109.3 50.6 -62.8 -37.7 41.6 24.3 100.9 67 71 A K H X S+ 0 0 81 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.940 112.2 47.2 -64.7 -46.1 38.9 22.5 102.8 68 72 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.910 106.1 58.4 -61.4 -44.4 41.5 20.4 104.5 69 73 A Q H X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.3 4,-0.5 0.935 107.9 46.6 -51.6 -49.9 43.6 23.4 105.3 70 74 A N H <5S+ 0 0 1 -4,-2.0 495,-0.4 1,-0.2 3,-0.3 0.774 108.6 56.4 -65.0 -27.1 40.6 25.0 107.2 71 75 A Q H <5S+ 0 0 43 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.820 106.7 47.9 -75.3 -30.3 40.0 21.7 109.0 72 76 A R H <5S- 0 0 15 -4,-1.9 -66,-0.5 -3,-0.4 -1,-0.2 0.517 120.7-106.9 -87.2 -5.0 43.5 21.5 110.4 73 77 A G T <5S+ 0 0 0 -4,-0.5 -71,-0.5 -3,-0.3 -3,-0.2 0.524 72.9 142.3 92.0 7.2 43.4 25.1 111.5 74 78 A G < - 0 0 0 -5,-2.1 2,-0.6 -6,-0.3 -1,-0.3 -0.393 49.1-123.8 -79.6 159.5 45.7 26.3 108.8 75 79 A R - 0 0 36 -2,-0.1 -58,-0.1 489,-0.1 2,-0.1 -0.910 18.6-130.3-112.3 118.9 45.3 29.7 107.0 76 80 A A - 0 0 21 -2,-0.6 2,-0.4 484,-0.1 -62,-0.1 -0.362 23.0-171.8 -63.6 137.1 45.0 29.8 103.3 77 81 A L - 0 0 86 -63,-0.1 2,-0.2 -2,-0.1 535,-0.1 -0.989 10.6-149.5-133.5 120.3 47.3 32.3 101.6 78 82 A F - 0 0 9 -2,-0.4 2,-0.3 531,-0.1 530,-0.1 -0.582 12.8-173.9 -96.3 157.5 46.8 33.0 97.9 79 83 A Q - 0 0 103 -2,-0.2 527,-0.0 1,-0.2 -2,-0.0 -0.825 40.7 -69.6-135.9 172.5 49.4 34.0 95.2 80 84 A D - 0 0 50 -2,-0.3 2,-0.6 528,-0.1 527,-0.2 -0.169 47.9-127.2 -57.7 163.3 49.4 35.0 91.6 81 85 A I B -A 606 0A 7 525,-1.6 525,-1.8 -57,-0.1 -1,-0.1 -0.938 23.0-129.7-119.0 105.5 48.5 32.1 89.2 82 86 A K - 0 0 107 -2,-0.6 3,-0.1 523,-0.2 -54,-0.1 -0.204 24.7-113.7 -54.2 141.2 51.1 31.7 86.5 83 87 A K - 0 0 81 1,-0.1 522,-0.1 520,-0.1 -1,-0.1 -0.365 48.1 -76.7 -72.0 158.7 49.7 31.6 83.0 84 88 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.169 40.2-114.0 -57.1 149.8 50.1 28.3 81.1 85 89 A A S S+ 0 0 95 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.781 96.2 23.6 -55.0 -34.6 53.5 27.4 79.7 86 90 A E - 0 0 114 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.809 55.2-154.4-130.2 169.7 52.3 27.6 76.1 87 91 A D S S+ 0 0 49 1,-0.4 2,-0.4 -2,-0.3 514,-0.1 0.575 89.9 39.2-116.8 -22.1 49.5 29.3 74.2 88 92 A E - 0 0 115 1,-0.0 -1,-0.4 -52,-0.0 -55,-0.1 -0.998 65.6-163.3-130.5 125.2 49.2 26.9 71.3 89 93 A W - 0 0 22 -2,-0.4 6,-0.3 1,-0.3 9,-0.1 0.049 21.3-146.2-102.6 29.2 49.6 23.2 71.9 90 94 A G - 0 0 36 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.109 57.3 -11.2 46.9-137.5 50.3 21.8 68.4 91 95 A K S > S- 0 0 123 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.410 78.5 -91.4 -92.3 169.6 48.8 18.4 67.9 92 96 A T H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.825 121.4 52.8 -46.0 -47.8 47.4 15.8 70.3 93 97 A P H > S+ 0 0 38 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.948 111.4 48.8 -58.0 -43.6 50.6 13.9 71.1 94 98 A D H > S+ 0 0 77 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.902 111.7 49.0 -59.7 -44.6 52.2 17.2 72.0 95 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -6,-0.3 -1,-0.2 0.948 113.0 47.7 -62.7 -47.4 49.3 18.1 74.2 96 100 A M H X S+ 0 0 0 -4,-3.2 4,-3.3 2,-0.2 5,-0.3 0.935 109.0 52.5 -57.7 -51.3 49.4 14.7 75.9 97 101 A K H X S+ 0 0 127 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.899 112.6 45.9 -52.4 -43.9 53.1 14.8 76.5 98 102 A A H X S+ 0 0 34 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.935 111.6 51.7 -65.1 -47.1 52.7 18.2 78.1 99 103 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.910 113.2 44.6 -57.2 -44.0 49.8 17.0 80.1 100 104 A M H X S+ 0 0 40 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.948 110.6 53.4 -65.7 -47.5 51.8 14.0 81.4 101 105 A A H X S+ 0 0 61 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.929 111.3 48.3 -50.9 -46.4 54.8 16.2 82.1 102 106 A L H X S+ 0 0 21 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.922 110.9 49.6 -60.8 -45.9 52.5 18.4 84.1 103 107 A E H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.871 107.7 52.4 -64.6 -37.8 51.0 15.5 86.0 104 108 A K H X S+ 0 0 127 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.918 110.1 50.1 -64.0 -39.4 54.3 13.9 86.9 105 109 A K H X S+ 0 0 96 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.916 112.4 47.3 -62.0 -43.2 55.3 17.3 88.3 106 110 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 110.6 51.6 -64.6 -42.7 52.1 17.4 90.3 107 111 A N H X S+ 0 0 33 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.910 108.5 51.8 -61.8 -43.0 52.6 13.8 91.5 108 112 A Q H X S+ 0 0 98 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.906 106.1 53.0 -61.4 -43.3 56.1 14.7 92.7 109 113 A A H X S+ 0 0 22 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.903 110.5 50.0 -58.7 -39.3 54.9 17.7 94.7 110 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.915 110.1 48.0 -65.0 -44.8 52.4 15.2 96.3 111 115 A L H X S+ 0 0 74 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 112.2 51.1 -63.8 -39.6 55.1 12.8 97.1 112 116 A D H X S+ 0 0 91 -4,-3.1 4,-2.3 2,-0.2 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3.1 59.1 99.8 262 91 B D S S+ 0 0 67 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.623 94.8 29.6-101.8 -20.6 6.1 58.4 97.6 263 92 B E - 0 0 112 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.985 65.6-161.5-136.0 141.5 8.0 56.8 100.4 264 93 B W - 0 0 27 -2,-0.3 6,-0.3 1,-0.3 9,-0.1 0.153 26.2-139.1-116.5 22.9 6.4 54.9 103.3 265 94 B G - 0 0 34 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.282 55.7 -17.2 60.0-140.8 9.1 54.8 106.0 266 95 B K S > S- 0 0 125 1,-0.0 4,-2.3 4,-0.0 3,-0.2 -0.290 77.1 -86.3 -93.6 178.9 9.5 51.5 107.8 267 96 B T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 124.8 50.1 -53.0 -51.0 7.2 48.5 108.3 268 97 B P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.896 111.8 51.7 -57.7 -35.9 5.2 49.8 111.3 269 98 B D H > S+ 0 0 87 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.957 112.3 42.5 -63.7 -52.7 4.6 53.0 109.3 270 99 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 -6,-0.3 -1,-0.2 0.893 112.9 54.5 -62.2 -41.9 3.3 51.3 106.2 271 100 B M H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 -1,-0.2 0.934 107.9 48.4 -57.6 -48.1 1.2 48.9 108.2 272 101 B K H X 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111 B N H X S+ 0 0 29 -4,-3.7 4,-2.5 1,-0.2 -1,-0.2 0.883 109.5 49.3 -63.8 -39.4 -14.6 49.3 105.4 283 112 B Q H X S+ 0 0 99 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.843 106.1 56.4 -69.0 -34.8 -16.5 52.5 106.3 284 113 B A H X S+ 0 0 20 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.844 111.3 44.8 -64.4 -33.9 -17.2 53.2 102.6 285 114 B L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.884 109.3 53.8 -76.6 -42.0 -18.8 49.7 102.5 286 115 B L H X S+ 0 0 72 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.877 111.0 49.0 -60.8 -34.0 -20.7 50.2 105.8 287 116 B D H X S+ 0 0 89 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.949 109.0 49.0 -70.0 -51.0 -22.1 53.4 104.2 288 117 B L H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.802 110.7 54.5 -59.6 -28.0 -23.2 51.8 100.9 289 118 B H H X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.907 108.4 46.6 -72.2 -41.4 -24.8 49.1 103.0 290 119 B A H X S+ 0 0 57 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.914 112.5 51.3 -65.9 -43.0 -26.8 51.6 105.0 291 120 B L H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.956 114.0 42.0 -59.0 -53.3 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0.917 113.2 48.6 -57.4 -43.8 -12.9 42.5 109.3 314 143 B K H X S+ 0 0 124 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.903 114.4 44.5 -63.7 -43.0 -10.6 39.6 108.8 315 144 B L H X S+ 0 0 15 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.957 113.0 50.9 -67.8 -47.6 -8.0 41.7 107.1 316 145 B I H X S+ 0 0 31 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.907 109.8 50.9 -54.4 -44.4 -8.2 44.5 109.6 317 146 B K H X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.910 109.4 51.8 -59.7 -43.2 -7.8 41.9 112.4 318 147 B K H X S+ 0 0 102 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 110.4 46.5 -60.3 -49.3 -4.7 40.6 110.7 319 148 B M H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.922 111.4 52.4 -61.0 -42.2 -3.1 44.0 110.3 320 149 B G H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.898 108.3 51.0 -59.8 -39.5 -3.9 44.8 114.0 321 150 B D H X S+ 0 0 32 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.887 111.5 49.5 -64.1 -37.1 -2.2 41.5 114.9 322 151 B H H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.926 107.8 50.8 -67.8 -47.8 0.8 42.6 112.9 323 152 B L H X S+ 0 0 38 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.952 108.0 53.8 -55.4 -51.3 1.1 46.1 114.4 324 153 B T H X S+ 0 0 30 -4,-2.1 4,-2.1 766,-0.4 -1,-0.2 0.895 110.8 46.0 -50.6 -46.1 1.0 44.6 117.9 325 154 B N H X S+ 0 0 12 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.901 111.5 51.3 -66.7 -40.1 3.9 42.3 117.0 326 155 B L H >< S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.920 111.5 48.2 -63.1 -41.5 5.9 45.0 115.4 327 156 B H H >< S+ 0 0 155 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.877 105.0 58.5 -65.5 -36.4 5.5 47.1 118.4 328 157 B R H 3< S+ 0 0 32 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.785 97.2 63.1 -63.5 -24.2 6.5 44.2 120.6 329 158 B L T << S+ 0 0 5 -4,-1.1 8,-0.3 -3,-0.5 -1,-0.3 -0.156 81.9 158.9 -91.4 40.1 9.7 44.3 118.6 330 159 B G < + 0 0 44 -3,-1.0 -1,-0.2 -2,-0.2 7,-0.1 0.815 17.2 132.3 -26.0-104.6 10.4 47.8 120.0 331 160 B G S S- 0 0 37 2,-0.2 -1,-0.1 1,-0.2 880,-0.1 -0.986 87.3-130.0 171.7-166.8 13.9 49.0 120.0 332 161 B P S S+ 0 0 136 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 -0.934 128.6 56.4 -72.7 17.0 16.4 50.6 119.7 333 162 B E S >> S+ 0 0 23 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.065 72.4 125.2 -92.2 29.5 16.9 47.2 118.2 334 163 B A H 3> + 0 0 40 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.817 66.2 58.8 -58.3 -34.5 13.9 48.0 116.1 335 164 B G H 3> S+ 0 0 16 -3,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.865 105.9 48.9 -64.3 -35.6 15.9 47.4 113.0 336 165 B L H <> S+ 0 0 5 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.890 111.9 48.4 -69.6 -41.5 16.5 43.8 114.2 337 166 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 -8,-0.3 -2,-0.2 0.862 106.7 55.5 -67.7 -37.3 12.9 43.3 115.0 338 167 B E H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 111.4 44.9 -61.6 -44.0 11.7 44.6 111.6 339 168 B Y H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.900 113.5 49.4 -66.4 -42.3 14.0 42.0 109.9 340 169 B L H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.809 110.8 50.7 -67.7 -29.8 12.9 39.2 112.2 341 170 B F H X>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 4,-1.8 0.887 111.0 47.3 -74.3 -39.3 9.3 40.0 111.6 342 171 B E H <>S+ 0 0 2 -4,-1.9 5,-0.7 3,-0.2 -2,-0.2 0.752 119.6 42.9 -71.3 -24.9 9.8 40.0 107.8 343 172 B R H <5S+ 0 0 30 -4,-1.5 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