==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 15-JUL-11 3B1W . COMPND 2 MOLECULE: FERROUS IRON UPTAKE TRANSPORTER PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR M.R.ASH,M.J.MAHER,J.M.GUSS,M.JORMAKKA . 1034 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 73 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 400 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.1 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 0 5 2 4 12 2 2 0 4 4 0 0 1 4 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 1 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 2 0 0 0 0 0 0 1 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 0 A S 0 0 90 0, 0.0 48,-0.1 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0-110.3 21.3 -11.6 8.3 2 1 A M + 0 0 137 47,-1.0 2,-0.3 1,-0.3 48,-0.2 0.871 360.0 23.7 -83.8 -92.2 19.1 -14.5 9.5 3 2 A T E -a 50 0A 34 46,-1.2 48,-2.7 78,-0.0 2,-0.5 -0.612 69.3-154.2 -84.1 132.8 16.1 -15.1 7.2 4 3 A E E -a 51 0A 29 -2,-0.3 77,-2.8 46,-0.2 78,-1.2 -0.939 9.8-165.5-111.4 120.1 16.4 -13.9 3.6 5 4 A I E -ab 52 82A 1 46,-3.0 48,-2.9 -2,-0.5 2,-0.6 -0.940 11.6-144.0-115.2 122.1 13.1 -13.1 1.8 6 5 A A E -ab 53 83A 0 76,-2.8 78,-3.4 -2,-0.5 2,-0.6 -0.745 12.8-155.7 -85.8 119.5 12.8 -12.6 -2.0 7 6 A L E +ab 54 84A 2 46,-2.8 48,-2.1 -2,-0.6 2,-0.3 -0.871 30.0 147.4-100.1 120.4 10.2 -9.9 -2.9 8 7 A I E + b 0 85A 0 76,-1.8 78,-2.4 -2,-0.6 2,-0.3 -0.996 4.7 130.9-154.7 144.9 8.8 -10.4 -6.4 9 8 A G E - b 0 86A 0 -2,-0.3 49,-1.2 46,-0.3 78,-0.2 -0.934 57.7 -57.1-171.4 179.8 5.6 -9.8 -8.5 10 9 A N > - 0 0 4 76,-0.5 3,-0.8 -2,-0.3 5,-0.3 -0.193 67.4 -86.3 -59.9 157.8 4.4 -8.3 -11.8 11 10 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.403 116.2 24.8 -58.6 150.0 5.2 -4.7 -12.5 12 11 A N T 3 S+ 0 0 116 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.850 85.8 116.5 60.9 37.3 2.5 -2.4 -11.1 13 12 A S S < S- 0 0 0 -3,-0.8 76,-0.2 -4,-0.1 101,-0.1 0.420 93.8 -99.4-107.8 -5.9 1.5 -4.9 -8.4 14 13 A G S > S+ 0 0 15 -4,-0.1 4,-2.2 72,-0.1 5,-0.2 0.656 76.7 141.2 94.9 20.7 2.5 -2.5 -5.6 15 14 A K H > S+ 0 0 21 -5,-0.3 4,-3.4 2,-0.2 5,-0.2 0.930 73.6 46.4 -58.8 -50.0 5.9 -4.1 -4.9 16 15 A T H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 112.0 51.0 -60.3 -46.9 7.7 -0.8 -4.3 17 16 A S H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.869 115.5 42.7 -58.3 -40.2 4.9 0.5 -2.0 18 17 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 111.0 54.2 -71.9 -46.0 5.2 -2.8 -0.0 19 18 A F H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 5,-0.3 0.858 109.3 50.8 -53.8 -39.9 9.0 -2.9 0.0 20 19 A N H X S+ 0 0 70 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.882 109.1 47.7 -69.0 -42.1 8.9 0.7 1.5 21 20 A L H < S+ 0 0 40 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.1 45.6 -63.0 -43.3 6.5 -0.0 4.3 22 21 A I H < S+ 0 0 9 -4,-2.2 23,-3.0 1,-0.2 24,-0.4 0.871 125.4 27.3 -69.0 -42.5 8.4 -3.2 5.3 23 22 A T H >< S+ 0 0 0 -4,-2.0 3,-1.3 21,-0.3 20,-0.2 0.674 76.9 177.7-100.9 -21.4 11.9 -1.8 5.2 24 23 A G T 3< S- 0 0 17 -4,-2.1 -1,-0.2 -5,-0.3 3,-0.2 -0.355 74.0 -12.4 55.5-116.0 11.5 2.0 5.9 25 24 A H T 3 S+ 0 0 197 -2,-0.2 -1,-0.2 1,-0.2 -5,-0.0 -0.113 113.4 91.3-110.6 31.9 15.0 3.6 6.0 26 25 A N < + 0 0 54 -3,-1.3 17,-1.6 17,-0.3 -1,-0.2 -0.161 60.3 134.8-116.3 34.5 17.1 0.4 6.1 27 26 A Q E -C 42 0A 75 15,-0.2 2,-0.3 -3,-0.2 15,-0.3 -0.396 39.9-159.1 -91.3 162.5 17.6 0.0 2.4 28 27 A R E -C 41 0A 191 13,-2.9 13,-2.6 -2,-0.1 2,-0.4 -0.964 7.9-161.4-142.0 120.8 20.6 -0.8 0.2 29 28 A V E +C 40 0A 89 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.864 31.3 117.1-107.0 137.7 20.7 0.1 -3.5 30 29 A G E -C 39 0A 35 9,-2.6 9,-1.5 -2,-0.4 2,-0.4 -0.634 49.7 -58.4-160.7-140.4 23.2 -1.6 -5.9 31 30 A N E -C 38 0A 98 7,-0.3 7,-0.2 -2,-0.2 5,-0.1 -0.986 26.4-131.1-139.5 132.3 24.0 -3.7 -8.9 32 31 A W > - 0 0 19 5,-2.0 3,-1.3 -2,-0.4 5,-0.2 -0.769 59.9 -85.7 -78.2 132.2 23.4 -7.2 -10.0 33 32 A P T 3 S- 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.086 104.7 -2.2 -45.9 129.0 26.9 -8.5 -11.1 34 33 A G T 3 S+ 0 0 89 1,-0.1 2,-0.2 -3,-0.1 -2,-0.0 0.012 117.7 78.0 83.2 -26.1 27.8 -7.6 -14.7 35 34 A V S < S- 0 0 60 -3,-1.3 -3,-0.2 -2,-0.2 -1,-0.1 -0.686 80.1-120.9-117.0 166.4 24.6 -5.9 -15.7 36 35 A T + 0 0 135 -2,-0.2 2,-0.4 -5,-0.1 -2,-0.0 0.182 68.4 126.7 -92.2 15.8 23.0 -2.4 -15.1 37 36 A V - 0 0 19 -5,-0.2 -5,-2.0 1,-0.1 -2,-0.1 -0.650 67.1-112.8 -80.7 126.3 19.9 -3.9 -13.4 38 37 A E E -C 31 0A 122 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.3 -0.342 23.3-153.6 -60.8 131.4 19.4 -2.3 -10.0 39 38 A R E -C 30 0A 85 -9,-1.5 -9,-2.6 -2,-0.1 2,-0.4 -0.959 18.4-179.4-108.8 114.5 19.8 -4.5 -7.0 40 39 A K E +C 29 0A 26 -2,-0.6 14,-1.9 14,-0.4 2,-0.3 -0.969 7.8 159.0-124.4 130.9 17.7 -3.3 -4.0 41 40 A S E +CD 28 53A 12 -13,-2.6 -13,-2.9 -2,-0.4 2,-0.3 -0.938 8.8 178.7-140.5 161.3 17.6 -4.9 -0.6 42 41 A G E -CD 27 52A 2 10,-2.0 10,-3.5 -2,-0.3 2,-0.3 -0.993 29.9-108.0-160.4 160.9 16.6 -3.9 3.0 43 42 A L E - D 0 51A 56 -17,-1.6 2,-0.4 -2,-0.3 -17,-0.3 -0.707 46.2-102.5 -88.5 144.4 16.2 -5.0 6.6 44 43 A V E > - D 0 47A 7 6,-2.7 3,-1.1 3,-0.7 -21,-0.3 -0.563 28.0-138.6 -66.4 123.5 12.6 -5.4 7.9 45 44 A K T 3 S+ 0 0 108 -23,-3.0 3,-0.2 -2,-0.4 -1,-0.1 0.861 101.7 38.2 -50.9 -47.2 12.0 -2.3 10.1 46 45 A K T 3 S+ 0 0 150 -24,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.424 129.1 31.9 -88.7 -1.2 10.2 -4.2 12.9 47 46 A N E X - D 0 44A 73 -3,-1.1 3,-1.7 3,-0.2 -3,-0.7 -0.660 58.4-173.7-160.3 94.8 12.6 -7.2 12.7 48 47 A K E 3 S+ 0 0 99 1,-0.3 -46,-0.2 -3,-0.2 -3,-0.1 0.522 81.2 74.8 -72.8 -5.5 16.2 -6.7 11.7 49 48 A D E 3 S+ 0 0 91 -48,-0.1 -46,-1.2 -5,-0.1 -47,-1.0 0.592 88.5 73.7 -77.8 -11.0 16.8 -10.5 11.6 50 49 A L E < -a 3 0A 11 -3,-1.7 -6,-2.7 -6,-0.2 2,-0.4 -0.918 65.5-167.4-109.1 122.6 14.9 -10.5 8.3 51 50 A E E -aD 4 43A 47 -48,-2.7 -46,-3.0 -2,-0.5 2,-0.6 -0.861 10.3-145.9-105.5 144.0 16.4 -9.2 5.1 52 51 A I E -aD 5 42A 2 -10,-3.5 -10,-2.0 -2,-0.4 2,-0.8 -0.950 4.6-161.6-112.7 120.0 14.4 -8.5 1.9 53 52 A Q E -aD 6 41A 5 -48,-2.9 -46,-2.8 -2,-0.6 -12,-0.2 -0.884 15.8-151.5 -97.7 104.2 15.9 -9.0 -1.4 54 53 A D E -a 7 0A 16 -14,-1.9 -14,-0.4 -2,-0.8 -46,-0.2 -0.484 11.0-159.7 -71.5 146.1 13.8 -7.1 -3.9 55 54 A L - 0 0 0 -48,-2.1 -46,-0.3 -2,-0.2 3,-0.1 -0.957 30.0 -86.1-129.0 147.5 13.7 -8.6 -7.4 56 55 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.233 50.3-105.0 -53.5 138.2 12.8 -6.9 -10.8 57 56 A G + 0 0 25 -49,-0.1 2,-0.3 -47,-0.1 -47,-0.2 -0.505 52.5 169.2 -65.5 128.6 9.1 -6.9 -11.5 58 57 A I - 0 0 10 -49,-1.2 3,-0.1 -2,-0.2 40,-0.1 -0.962 41.8-145.8-142.9 155.4 8.4 -9.5 -14.2 59 58 A Y S S+ 0 0 13 -2,-0.3 2,-0.3 1,-0.3 702,-0.3 0.562 89.9 10.1 -94.1 -13.7 5.4 -11.2 -15.8 60 59 A S - 0 0 1 700,-0.1 -1,-0.3 38,-0.1 38,-0.1 -0.965 56.3-139.4-163.8 146.4 7.3 -14.5 -16.3 61 60 A M S S+ 0 0 0 -2,-0.3 11,-0.1 1,-0.1 37,-0.0 0.517 92.4 77.4 -84.7 -8.4 10.6 -16.1 -15.3 62 61 A S + 0 0 15 2,-0.1 -1,-0.1 10,-0.0 10,-0.0 0.917 66.8 94.4 -70.1 -50.4 10.9 -17.6 -18.8 63 62 A P S S- 0 0 19 0, 0.0 2,-0.8 0, 0.0 666,-0.1 0.056 75.4-124.1 -54.4 154.3 12.1 -14.7 -21.1 64 63 A Y + 0 0 53 665,-0.4 -2,-0.1 664,-0.3 -3,-0.0 -0.383 68.3 129.7 -91.4 52.7 15.8 -14.1 -21.9 65 64 A S S > S- 0 0 12 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.674 71.8-116.3 -96.9 158.3 15.5 -10.5 -20.6 66 65 A P H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.939 114.9 52.3 -59.2 -44.5 18.0 -9.1 -18.1 67 66 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.913 112.8 42.2 -57.7 -50.1 15.2 -8.7 -15.4 68 67 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 112.6 54.3 -68.4 -36.4 14.0 -12.3 -15.7 69 68 A K H X S+ 0 0 94 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.909 108.1 49.9 -62.5 -45.9 17.6 -13.7 -15.8 70 69 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.951 113.9 46.0 -51.2 -53.7 18.4 -11.9 -12.6 71 70 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.884 114.4 47.3 -61.4 -42.0 15.2 -13.3 -11.0 72 71 A R H X S+ 0 0 8 -4,-2.7 4,-1.7 2,-0.2 5,-0.2 0.956 113.6 46.0 -65.5 -53.4 15.9 -16.9 -12.3 73 72 A D H X S+ 0 0 71 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.874 114.8 48.0 -58.8 -41.7 19.6 -17.0 -11.2 74 73 A Y H < S+ 0 0 12 -4,-2.4 6,-0.5 -5,-0.2 5,-0.4 0.907 116.1 42.8 -65.9 -43.3 18.8 -15.5 -7.7 75 74 A L H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.622 111.7 53.2 -82.5 -15.3 15.9 -17.9 -7.1 76 75 A L H < S+ 0 0 16 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.583 102.9 74.4 -91.7 -12.4 17.7 -21.0 -8.5 77 76 A S S < S- 0 0 46 -4,-0.8 3,-0.1 -3,-0.3 -3,-0.1 -0.012 95.8-106.8 -80.7-167.2 20.6 -20.3 -6.1 78 77 A Q S S+ 0 0 148 1,-0.1 -3,-0.1 -2,-0.0 -4,-0.1 0.353 89.4 96.1-111.8 5.8 20.6 -20.9 -2.4 79 78 A R S S+ 0 0 65 -5,-0.4 2,-0.2 2,-0.0 -75,-0.2 0.857 70.7 72.1 -65.9 -40.2 20.3 -17.3 -1.0 80 79 A A + 0 0 4 -6,-0.5 -75,-0.2 -3,-0.1 3,-0.1 -0.576 45.1 178.9 -90.0 141.8 16.5 -17.1 -0.5 81 80 A D S S+ 0 0 42 -77,-2.8 81,-1.5 1,-0.3 2,-0.3 0.619 76.3 19.8-107.2 -23.2 14.6 -19.0 2.3 82 81 A S E -b 5 0A 0 -78,-1.2 -76,-2.8 79,-0.2 2,-0.5 -0.979 64.3-140.3-147.5 148.5 11.3 -17.6 1.3 83 82 A I E -be 6 109A 0 25,-2.7 27,-2.7 -2,-0.3 2,-0.8 -0.981 10.4-161.7-112.5 124.6 9.5 -16.1 -1.7 84 83 A L E -be 7 110A 2 -78,-3.4 -76,-1.8 -2,-0.5 2,-0.7 -0.870 14.4-159.9-106.9 97.3 7.1 -13.2 -0.9 85 84 A N E -be 8 111A 1 25,-2.2 27,-2.6 -2,-0.8 2,-0.6 -0.683 4.9-150.7 -84.5 111.8 5.0 -13.0 -4.1 86 85 A V E -be 9 112A 1 -78,-2.4 -76,-0.5 -2,-0.7 2,-0.4 -0.768 20.2-170.0 -85.1 122.5 3.3 -9.7 -4.5 87 86 A V E - e 0 113A 1 25,-2.4 27,-1.6 -2,-0.6 2,-1.0 -0.931 26.0-130.1-119.8 138.2 0.0 -10.3 -6.4 88 87 A D E > - e 0 114A 17 -2,-0.4 3,-1.9 3,-0.2 7,-0.2 -0.786 19.4-164.1 -86.5 103.0 -2.4 -7.7 -8.0 89 88 A A G > S+ 0 0 1 25,-2.2 3,-0.9 -2,-1.0 -1,-0.2 0.771 86.2 61.1 -60.4 -30.7 -5.7 -9.0 -6.6 90 89 A T G 3 S+ 0 0 21 1,-0.2 -1,-0.3 24,-0.2 25,-0.1 0.445 116.6 32.5 -75.0 0.2 -7.7 -6.9 -9.2 91 90 A N G <> S+ 0 0 31 -3,-1.9 4,-1.5 1,-0.0 3,-0.4 -0.229 79.2 152.5-149.7 46.7 -5.9 -8.9 -12.0 92 91 A L H <> + 0 0 2 -3,-0.9 4,-2.0 1,-0.2 -2,-0.1 0.810 62.2 54.0 -54.9 -49.8 -5.5 -12.3 -10.4 93 92 A E H 4 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.855 113.5 41.9 -62.3 -40.9 -5.5 -14.7 -13.3 94 93 A R H 4 S+ 0 0 135 -3,-0.4 3,-0.5 1,-0.2 4,-0.5 0.794 113.1 54.6 -76.0 -30.0 -2.6 -13.0 -15.2 95 94 A N H >X S+ 0 0 5 -4,-1.5 4,-1.1 -7,-0.2 3,-0.7 0.843 99.2 62.0 -71.1 -32.2 -0.7 -12.4 -12.0 96 95 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.658 83.5 78.6 -72.6 -16.4 -0.8 -16.1 -11.0 97 96 A Y H 3> S+ 0 0 15 -3,-0.5 4,-1.0 -4,-0.4 -1,-0.2 0.939 101.3 38.9 -53.0 -51.0 1.2 -17.1 -14.2 98 97 A L H X> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.5 3,-0.7 0.925 110.8 61.3 -64.9 -43.2 4.4 -16.0 -12.5 99 98 A T H 3X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.3 5,-0.2 0.884 101.5 52.1 -48.8 -46.8 3.2 -17.4 -9.1 100 99 A T H 3X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.3 0.839 111.1 46.9 -61.9 -35.4 3.0 -20.9 -10.7 101 100 A Q H < S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 5,-0.4 0.898 106.4 49.6 -61.4 -44.1 7.7 -19.3 -8.4 103 102 A I H >< S+ 0 0 19 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.860 103.1 62.3 -62.3 -37.3 6.2 -22.3 -6.6 104 103 A E H 3< S+ 0 0 6 -4,-1.2 95,-0.6 1,-0.3 -1,-0.2 0.691 87.2 73.0 -65.3 -18.7 8.1 -24.6 -9.0 105 104 A T T << S- 0 0 2 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.762 103.7-126.7 -64.7 -26.7 11.4 -23.2 -7.8 106 105 A G S < S+ 0 0 25 -3,-1.6 -2,-0.1 1,-0.4 -3,-0.1 0.339 73.6 120.5 91.3 -7.3 11.0 -25.1 -4.5 107 106 A I S S- 0 0 12 -5,-0.4 -1,-0.4 -32,-0.1 -2,-0.2 -0.804 78.7-102.1 -83.2 128.8 11.5 -22.1 -2.3 108 107 A P - 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0 0 57 0, 0.0 3,-0.2 0, 0.0 7,-0.2 -0.357 35.5-127.5 -53.5 140.9 19.4 -29.7 -6.8 194 193 A Q S > S+ 0 0 98 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.855 104.3 54.4 -63.6 -37.9 16.7 -31.7 -5.1 195 194 A R T 3 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.830 119.1 31.2 -66.2 -37.2 14.6 -28.6 -4.2 196 195 A S T 3> S+ 0 0 4 -3,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.048 82.9 115.6-113.9 24.6 14.4 -27.2 -7.7 197 196 A A H <> S+ 0 0 16 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.933 77.7 49.9 -59.1 -49.6 14.5 -30.5 -9.6 198 197 A R H > S+ 0 0 24 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.835 107.9 54.1 -58.5 -37.3 10.9 -30.0 -11.0 199 198 A F H > S+ 0 0 4 -95,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.940 112.1 44.2 -64.0 -46.7 11.8 -26.5 -12.2 200 199 A Y H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.855 110.8 55.2 -62.7 -37.3 14.8 -28.0 -14.0 201 200 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.870 109.2 46.2 -65.8 -39.9 12.7 -30.9 -15.4 202 201 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.872 112.5 51.6 -68.9 -38.9 10.1 -28.5 -16.9 203 202 A K H <>S+ 0 0 3 -4,-1.8 5,-2.6 2,-0.2 -2,-0.2 0.876 111.0 46.2 -67.6 -39.2 12.9 -26.3 -18.4 204 203 A L H <5S+ 0 0 4 -4,-2.2 3,-0.5 3,-0.2 -1,-0.2 0.797 111.0 53.3 -71.7 -31.6 14.6 -29.3 -20.0 205 204 A F H <5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 108.8 48.6 -68.4 -41.2 11.2 -30.5 -21.3 206 205 A E T <5S- 0 0 28 -4,-2.2 -1,-0.2 34,-0.1 -2,-0.2 0.462 118.6-120.2 -73.6 -4.2 10.7 -27.0 -22.8 207 206 A Q T 5 - 0 0 27 -3,-0.5 2,-0.6 1,-0.2 380,-0.5 0.894 37.5-169.1 64.5 47.0 14.2 -27.5 -24.3 208 207 A D >< - 0 0 20 -5,-2.6 4,-2.5 1,-0.2 -1,-0.2 -0.572 13.0-156.9 -73.0 114.4 15.8 -24.4 -22.6 209 208 A S H > S+ 0 0 37 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.828 89.7 53.1 -59.0 -40.3 19.2 -23.8 -24.1 210 209 A L H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 113.2 42.5 -63.9 -47.4 20.6 -21.9 -21.1 211 210 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 112.8 55.0 -64.0 -43.6 19.6 -24.7 -18.6 212 211 A E H X S+ 0 0 77 -4,-2.5 4,-1.3 1,-0.2 5,-0.5 0.900 112.5 41.8 -57.3 -44.9 20.9 -27.3 -21.1 213 212 A A H < S+ 0 0 83 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.808 114.7 53.0 -71.3 -33.8 24.4 -25.6 -21.3 214 213 A E H < S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 111.5 44.0 -64.7 -49.9 24.4 -25.0 -17.5 215 214 A L H < S- 0 0 31 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.764 83.6-158.7 -72.8 -30.1 23.7 -28.6 -16.6 216 215 A D < - 0 0 143 -4,-1.3 -3,-0.1 -5,-0.2 2,-0.1 0.952 21.2-168.1 43.3 67.7 26.1 -30.3 -19.1 217 216 A L - 0 0 10 -5,-0.5 -1,-0.1 1,-0.1 -29,-0.0 -0.343 18.7 -98.5 -81.1 165.2 24.3 -33.6 -19.0 218 217 A S > - 0 0 54 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.173 32.6 -99.7 -80.5 173.5 25.7 -36.9 -20.4 219 218 A Q H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.948 124.8 44.1 -53.9 -56.4 25.1 -38.6 -23.8 220 219 A F H > S+ 0 0 23 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.823 114.2 50.2 -60.9 -38.2 22.6 -41.1 -22.2 221 220 A Q H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.951 112.6 46.0 -66.3 -49.5 20.9 -38.3 -20.1 222 221 A R H X S+ 0 0 143 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.841 111.9 52.3 -62.0 -37.7 20.4 -36.1 -23.1 223 222 A K H X S+ 0 0 61 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.904 108.1 48.5 -66.9 -45.9 19.2 -38.9 -25.3 224 223 A E H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.901 110.5 51.8 -62.9 -43.1 16.5 -40.1 -22.9 225 224 A I H X S+ 0 0 10 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.879 107.7 53.1 -59.5 -43.6 15.2 -36.6 -22.4 226 225 A E H X S+ 0 0 108 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.907 111.2 45.8 -54.9 -48.9 14.9 -36.1 -26.3 227 226 A D H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.845 110.9 52.7 -66.9 -37.5 12.8 -39.3 -26.5 228 227 A I H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 112.8 45.7 -62.9 -46.7 10.6 -38.3 -23.6 229 228 A I H X S+ 0 0 8 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.970 113.4 46.9 -59.8 -58.5 10.0 -34.9 -25.4 230 229 A R H X S+ 0 0 123 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.861 115.0 46.1 -52.3 -46.2 9.3 -36.3 -28.9 231 230 A I H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.876 115.9 45.4 -66.8 -39.8 6.9 -39.0 -27.6 232 231 A T H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.885 112.1 51.2 -72.6 -40.3 5.1 -36.5 -25.3 233 232 A E H X>S+ 0 0 26 -4,-3.3 4,-1.8 2,-0.2 5,-1.4 0.905 111.7 48.9 -58.7 -43.6 4.9 -33.9 -28.1 234 233 A E H <5S+ 0 0 107 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.904 108.5 53.3 -59.7 -45.8 3.4 -36.7 -30.3 235 234 A I H <5S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 120.4 32.1 -60.2 -42.2 0.9 -37.6 -27.5 236 235 A F H <5S- 0 0 12 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.637 98.6-135.2 -86.1 -18.9 -0.3 -34.0 -27.3 237 236 A T T <5S+ 0 0 36 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.863 74.6 94.3 55.7 41.3 0.2 -33.1 -31.0 238 237 A E S - 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0 0 58 -4,-2.4 3,-0.1 1,-0.2 -5,-0.0 -0.864 59.2-167.1-100.6 126.3 26.8 -69.7 -57.0 429 165 B G + 0 0 76 -2,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.841 61.6 11.2 -74.0-109.3 26.6 -73.6 -56.8 430 166 B D S S- 0 0 160 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.485 83.9-108.5 -75.3 146.2 27.2 -75.2 -53.5 431 167 B L - 0 0 67 -2,-0.2 2,-1.2 -3,-0.1 -1,-0.1 -0.643 17.9-154.0 -80.0 120.9 27.4 -73.1 -50.3 432 168 B A + 0 0 63 -2,-0.5 -1,-0.1 -33,-0.3 3,-0.1 -0.582 29.5 174.7 -92.7 68.8 30.9 -72.8 -48.8 433 169 B F - 0 0 70 -2,-1.2 2,-0.2 1,-0.1 -70,-0.1 -0.369 44.2 -84.7 -71.9 152.6 29.7 -72.1 -45.2 434 170 B P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.485 45.5-134.6 -61.4 125.4 32.3 -71.9 -42.4 435 171 B I - 0 0 107 -2,-0.2 2,-0.2 -3,-0.1 3,-0.1 -0.734 26.1-171.8 -85.8 124.0 33.1 -75.4 -41.1 436 172 B Y - 0 0 6 -2,-0.5 5,-0.1 1,-0.2 71,-0.0 -0.438 42.3 -42.0-104.1-178.4 33.1 -75.8 -37.3 437 173 B D >> - 0 0 43 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.101 54.3-121.6 -46.2 137.8 34.1 -78.6 -35.0 438 174 B D H 3> S+ 0 0 136 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.863 112.8 57.4 -50.4 -43.8 32.9 -82.1 -36.1 439 175 B R H 3> S+ 0 0 113 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.869 110.3 43.0 -59.1 -41.4 31.0 -82.6 -32.9 440 176 B L H <> S+ 0 0 2 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.854 112.7 53.3 -72.1 -37.0 29.0 -79.4 -33.6 441 177 B E H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.845 107.0 52.1 -64.4 -36.6 28.6 -80.4 -37.3 442 178 B A H X S+ 0 0 54 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.864 111.5 47.3 -65.2 -37.0 27.2 -83.8 -36.2 443 179 B A H X S+ 0 0 1 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.900 109.7 52.2 -70.3 -42.7 24.7 -81.9 -34.0 444 180 B I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 109.5 51.0 -60.0 -42.6 23.8 -79.5 -36.9 445 181 B S H X S+ 0 0 61 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 108.5 50.1 -59.8 -48.3 23.1 -82.6 -39.1 446 182 B Q H X S+ 0 0 95 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.926 110.4 50.3 -58.0 -46.0 20.8 -84.3 -36.5 447 183 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.913 109.5 52.3 -56.4 -44.7 18.9 -81.0 -36.2 448 184 B L H X S+ 0 0 61 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 107.9 50.2 -61.5 -42.5 18.6 -80.9 -40.1 449 185 B E H < S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.9 51.5 -59.4 -41.0 17.2 -84.4 -40.2 450 186 B V H < S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.2 48.9 -61.2 -43.1 14.6 -83.5 -37.5 451 187 B L H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 2,-0.2 0.904 73.5 169.1 -66.3 -45.9 13.5 -80.5 -39.5 452 188 B G G >< S- 0 0 52 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 -0.521 80.1 -22.6 60.9-128.5 13.0 -82.1 -43.0 453 189 B N G 3 S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 4,-0.1 -0.174 109.0 104.7-105.9 41.6 11.3 -79.3 -44.9 454 190 B S G < S+ 0 0 44 -3,-1.2 25,-0.2 2,-0.1 -1,-0.2 0.693 86.7 53.5 -77.2 -26.5 9.9 -77.4 -41.9 455 191 B V S < S- 0 0 8 -3,-0.5 2,-0.3 -7,-0.1 5,-0.1 -0.797 101.5-107.1-100.1 148.3 12.8 -75.1 -42.9 456 192 B P - 0 0 64 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.640 32.9-126.6 -70.8 136.0 13.4 -73.6 -46.4 457 193 B Q S > S+ 0 0 95 -2,-0.3 3,-0.6 1,-0.2 4,-0.3 0.753 101.4 57.3 -56.7 -33.5 16.4 -75.5 -47.9 458 194 B R T 3 S+ 0 0 74 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.890 119.0 28.4 -68.9 -44.3 18.5 -72.4 -48.7 459 195 B S T 3> S+ 0 0 0 -3,-0.5 4,-2.0 1,-0.2 3,-0.4 0.079 87.4 116.6-103.2 17.4 18.7 -70.9 -45.1 460 196 B A H <> S+ 0 0 15 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.880 74.6 50.5 -54.6 -48.3 18.3 -74.4 -43.4 461 197 B R H > S+ 0 0 26 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.809 107.5 55.4 -59.7 -35.2 21.8 -74.2 -41.8 462 198 B F H > S+ 0 0 1 -95,-0.8 4,-2.4 -3,-0.4 -2,-0.2 0.956 111.7 41.8 -65.6 -51.5 21.0 -70.7 -40.4 463 199 B Y H X S+ 0 0 9 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.909 112.1 56.2 -60.3 -44.9 17.8 -72.0 -38.7 464 200 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 111.1 43.3 -51.0 -51.7 19.6 -75.1 -37.5 465 201 B I H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.898 114.0 50.3 -64.4 -44.9 22.3 -73.1 -35.8 466 202 B K H <>S+ 0 0 12 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.843 110.3 50.6 -63.3 -33.6 19.8 -70.6 -34.3 467 203 B L H ><5S+ 0 0 2 -4,-2.8 3,-1.0 3,-0.2 -2,-0.2 0.886 107.4 53.2 -69.6 -38.3 17.7 -73.6 -33.0 468 204 B F H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.0 46.9 -60.3 -36.6 20.8 -75.1 -31.4 469 205 B E T 3<5S- 0 0 21 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.445 115.4-122.5 -82.8 -4.9 21.3 -71.7 -29.7 470 206 B Q T < 5 - 0 0 30 -3,-1.0 -3,-0.2 1,-0.2 2,-0.1 0.892 35.5-165.1 59.3 45.5 17.6 -71.7 -28.7 471 207 B D >< - 0 0 9 -5,-2.8 4,-1.5 1,-0.1 -1,-0.2 -0.406 16.2-142.8 -60.1 130.4 16.8 -68.4 -30.5 472 208 B S H > S+ 0 0 52 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.846 96.7 46.0 -66.6 -39.5 13.5 -67.1 -29.3 473 209 B L H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.850 109.7 51.7 -74.2 -41.0 12.4 -65.7 -32.7 474 210 B V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.884 109.9 51.5 -63.8 -40.0 13.4 -68.7 -34.8 475 211 B E H < S+ 0 0 67 -4,-1.5 5,-0.4 1,-0.2 -1,-0.2 0.849 112.2 45.3 -64.7 -38.2 11.3 -70.9 -32.5 476 212 B A H < S+ 0 0 85 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.810 111.8 52.0 -75.9 -33.0 8.2 -68.7 -32.8 477 213 B E H < S+ 0 0 103 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.933 101.5 62.1 -71.4 -52.2 8.4 -68.4 -36.6 478 214 B L S < S- 0 0 13 -4,-1.8 2,-1.3 -5,-0.1 -23,-0.1 -0.604 80.4-136.2 -77.1 134.5 8.7 -72.1 -37.5 479 215 B D + 0 0 142 -2,-0.3 2,-0.3 -25,-0.2 -3,-0.1 -0.701 34.5 178.3 -92.4 84.2 5.7 -74.2 -36.5 480 216 B L - 0 0 13 -2,-1.3 -29,-0.0 -5,-0.4 2,-0.0 -0.686 29.9-115.0 -88.0 141.2 7.6 -77.2 -35.2 481 217 B S > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.342 29.9-108.7 -66.3 154.8 5.7 -80.2 -33.7 482 218 B Q H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.842 121.3 55.0 -53.2 -36.5 6.1 -80.9 -30.0 483 219 B F H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 108.2 46.2 -64.8 -45.9 8.1 -84.0 -30.9 484 220 B Q H > S+ 0 0 28 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 111.4 52.9 -61.0 -45.1 10.6 -82.0 -33.1 485 221 B R H X S+ 0 0 95 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.897 111.2 47.5 -54.4 -45.2 10.9 -79.4 -30.3 486 222 B K H X S+ 0 0 110 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 109.3 51.6 -64.4 -49.4 11.8 -82.2 -27.9 487 223 B E H X S+ 0 0 57 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.889 107.9 52.8 -53.4 -46.2 14.3 -83.9 -30.3 488 224 B I H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.929 109.2 49.7 -56.9 -49.7 16.2 -80.5 -30.7 489 225 B E H X S+ 0 0 96 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.889 111.8 48.1 -52.4 -48.2 16.4 -80.1 -26.9 490 226 B D H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.924 110.9 50.2 -63.1 -45.7 17.8 -83.7 -26.6 491 227 B I H X S+ 0 0 19 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.904 112.3 49.1 -56.3 -45.7 20.3 -83.0 -29.4 492 228 B I H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.945 110.9 48.2 -58.3 -54.4 21.3 -79.8 -27.5 493 229 B R H X S+ 0 0 121 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.892 113.1 48.3 -54.5 -46.8 21.7 -81.6 -24.1 494 230 B I H X S+ 0 0 101 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.855 112.3 48.1 -63.8 -38.4 23.8 -84.4 -25.6 495 231 B T H X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.873 108.3 55.8 -74.1 -34.0 26.0 -81.9 -27.5 496 232 B E H X>S+ 0 0 35 -4,-2.7 5,-1.6 1,-0.2 4,-1.6 0.889 109.3 46.4 -60.4 -40.3 26.4 -79.9 -24.2 497 233 B E H <5S+ 0 0 50 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.855 111.1 51.2 -71.3 -35.7 27.7 -83.0 -22.5 498 234 B I H <5S+ 0 0 97 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 121.0 34.8 -68.0 -39.1 30.1 -83.9 -25.3 499 235 B F H <5S- 0 0 14 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.671 98.3-138.5 -82.9 -21.9 31.5 -80.4 -25.2 500 236 B T T <5S+ 0 0 51 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.928 73.5 95.3 55.9 50.0 31.2 -80.0 -21.4 501 237 B E S - 0 0 13 -2,-0.3 4,-1.6 340,-0.2 3,-0.4 -0.458 39.9-112.0 -76.2 152.7 26.6 -74.6 -22.7 503 239 B A H >> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.881 115.7 49.2 -48.3 -54.2 25.1 -74.4 -26.2 504 240 B E H 3> S+ 0 0 37 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.875 110.9 51.9 -55.5 -41.9 25.5 -70.6 -26.6 505 241 B S H 3> S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.799 107.9 52.8 -65.7 -32.5 29.2 -70.9 -25.5 506 242 B I H - 0 0 4 76,-0.5 3,-1.1 -2,-0.3 5,-0.3 -0.215 69.5 -90.0 -55.4 148.4 3.6 -31.3 -38.1 534 10 C P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.425 114.4 22.7 -58.6 143.1 5.0 -34.8 -37.4 535 11 C N T 3 S+ 0 0 139 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.759 85.0 117.4 70.6 29.8 2.5 -37.4 -38.4 536 12 C S S < S- 0 0 1 -3,-1.1 76,-0.2 73,-0.1 101,-0.1 0.470 94.1 -94.2-101.0 -4.7 0.5 -35.2 -40.8 537 13 C G S > S+ 0 0 13 -4,-0.1 4,-2.3 72,-0.1 5,-0.1 0.667 80.3 137.7 100.3 24.1 1.3 -37.4 -43.9 538 14 C K H > S+ 0 0 21 -5,-0.3 4,-3.3 2,-0.2 5,-0.1 0.896 73.8 44.2 -69.5 -46.1 4.3 -35.5 -45.2 539 15 C T H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 114.3 52.1 -65.4 -41.0 6.5 -38.6 -46.0 540 16 C S H > S+ 0 0 68 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.909 114.8 41.4 -60.4 -45.0 3.5 -40.2 -47.6 541 17 C L H >X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 3,-0.8 0.959 113.0 53.5 -66.8 -52.7 2.9 -37.1 -49.8 542 18 C F H 3X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.3 5,-0.3 0.847 107.8 52.3 -46.7 -44.1 6.6 -36.6 -50.5 543 19 C N H 3X S+ 0 0 24 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.792 109.2 49.0 -66.3 -32.2 6.7 -40.2 -51.7 544 20 C L H << S+ 0 0 64 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.871 115.7 42.2 -73.9 -39.7 3.8 -39.7 -54.1 545 21 C I H < S+ 0 0 9 -4,-2.1 23,-3.5 1,-0.1 24,-0.4 0.904 123.0 33.9 -75.6 -44.9 5.2 -36.5 -55.7 546 22 C T H >< S- 0 0 2 -4,-2.2 3,-0.6 21,-0.3 2,-0.2 0.863 82.8-174.3 -84.6 -39.0 8.9 -37.4 -56.0 547 23 C G T 3< - 0 0 13 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.569 63.3 -18.6 78.2-140.4 8.7 -41.2 -56.8 548 24 C H T 3 S+ 0 0 90 -2,-0.2 2,-0.5 1,-0.1 -242,-0.3 0.091 114.6 89.3 -93.7 20.9 12.0 -43.2 -57.1 549 25 C N < + 0 0 79 -3,-0.6 17,-0.8 17,-0.2 2,-0.3 -0.853 54.1 142.1-118.7 93.5 14.3 -40.1 -57.5 550 26 C Q E -LR 290 565D 1 -260,-0.7 -260,-1.9 -2,-0.5 2,-0.4 -0.983 39.5-148.0-133.2 142.9 15.4 -38.9 -54.1 551 27 C R E - R 0 564D 18 13,-3.2 13,-2.4 -2,-0.3 2,-0.4 -0.936 19.3-168.0-106.4 132.1 18.6 -37.5 -52.7 552 28 C V E + R 0 563D 15 -2,-0.4 11,-0.2 -265,-0.4 2,-0.2 -0.964 27.0 117.3-131.3 116.0 19.3 -38.3 -49.0 553 29 C G E - R 0 562D 26 9,-3.3 9,-2.6 -2,-0.4 2,-0.3 -0.468 54.4 -77.5-141.2-145.7 22.0 -36.7 -46.9 554 30 C N E - R 0 561D 100 7,-0.3 7,-0.2 -2,-0.2 5,-0.1 -0.957 35.5-108.8-131.1 148.0 22.5 -34.6 -43.7 555 31 C W > - 0 0 20 5,-2.5 3,-0.8 -2,-0.3 5,-0.2 -0.642 63.2 -86.8 -71.2 136.5 22.1 -30.8 -42.9 556 32 C P T 3 S+ 0 0 103 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.155 106.4 3.0 -61.9 136.6 25.7 -29.7 -42.5 557 33 C G T 3 S+ 0 0 93 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 -0.196 119.8 81.1 86.5 -40.3 27.3 -30.0 -39.0 558 34 C V S < S- 0 0 54 -3,-0.8 -1,-0.2 -2,-0.5 0, 0.0 -0.523 77.6-133.3 -95.9 160.8 24.1 -31.7 -37.7 559 35 C T + 0 0 134 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.231 65.0 126.1 -96.7 12.1 23.0 -35.4 -38.0 560 36 C V - 0 0 19 -5,-0.2 -5,-2.5 1,-0.1 -2,-0.1 -0.591 68.2-107.4 -74.4 128.1 19.5 -34.3 -39.0 561 37 C E E -R 554 0D 69 -2,-0.3 2,-0.6 -7,-0.2 -7,-0.3 -0.282 26.6-159.1 -61.4 133.4 18.4 -36.0 -42.3 562 38 C R E +R 553 0D 61 -9,-2.6 -9,-3.3 16,-0.1 2,-0.4 -0.955 15.3 175.4-112.4 109.7 18.2 -33.9 -45.5 563 39 C K E +R 552 0D 9 -2,-0.6 14,-1.6 14,-0.4 2,-0.3 -0.958 1.9 169.7-114.5 136.3 16.0 -35.5 -48.2 564 40 C S E +RS 551 576D 16 -13,-2.4 -13,-3.2 -2,-0.4 2,-0.3 -0.954 4.4 178.0-137.4 154.9 15.2 -33.8 -51.5 565 41 C G E -RS 550 575D 4 10,-1.9 10,-3.4 -2,-0.3 2,-0.3 -0.994 28.9-114.9-158.1 154.2 13.5 -34.9 -54.7 566 42 C L E - S 0 574D 76 -17,-0.8 -17,-0.2 -2,-0.3 2,-0.2 -0.708 46.9 -99.4 -87.9 142.3 12.4 -33.8 -58.2 567 43 C V E > - S 0 570D 9 6,-2.2 3,-1.6 3,-0.7 -21,-0.3 -0.470 27.9-139.4 -62.6 124.8 8.6 -33.9 -58.9 568 44 C K T 3 S+ 0 0 90 -23,-3.5 3,-0.2 1,-0.3 -1,-0.1 0.887 103.6 41.8 -53.9 -44.1 8.0 -37.2 -60.8 569 45 C K T 3 S+ 0 0 159 -24,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.300 124.5 35.6 -88.7 6.2 5.6 -35.4 -63.2 570 46 C N E X - 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0 0 22 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.1 0.933 36.5-161.1 59.4 51.8 19.3 -59.4 -22.2 989 207 D D >< - 0 0 8 -5,-2.7 4,-1.2 1,-0.1 -1,-0.2 -0.398 17.9-138.3 -66.1 133.8 18.4 -62.6 -20.3 990 208 D S H > S+ 0 0 44 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.905 98.9 40.5 -57.9 -48.6 14.8 -64.0 -20.9 991 209 D L H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.913 106.3 59.6 -72.1 -47.8 14.1 -64.8 -17.2 992 210 D V H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.839 104.7 52.0 -53.2 -40.1 15.7 -61.8 -15.4 993 211 D E H <>S+ 0 0 44 -4,-1.2 5,-0.5 1,-0.2 3,-0.4 0.900 115.1 40.6 -63.6 -44.2 13.3 -59.4 -17.3 994 212 D A H <5S+ 0 0 89 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.760 109.3 61.6 -74.0 -28.5 10.2 -61.4 -16.2 995 213 D E H <5S+ 0 0 75 -4,-2.6 2,-0.3 -5,-0.1 -1,-0.2 0.703 103.2 59.1 -69.3 -23.1 11.6 -62.0 -12.7 996 214 D L T <5S- 0 0 20 -4,-0.9 2,-1.9 -3,-0.4 -23,-0.1 -0.866 84.0-126.1-114.8 143.7 11.6 -58.2 -12.1 997 215 D D T 5 + 0 0 108 -2,-0.3 2,-0.4 -25,-0.1 -3,-0.1 -0.469 48.3 168.4 -86.7 66.6 8.7 -55.7 -12.2 998 216 D L < - 0 0 12 -2,-1.9 2,-0.1 -5,-0.5 -2,-0.0 -0.706 28.8-133.2 -88.6 128.8 10.4 -53.4 -14.7 999 217 D S > - 0 0 58 -2,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.314 27.3-105.7 -73.0 160.4 8.4 -50.7 -16.4 1000 218 D Q H > S+ 0 0 154 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.836 122.7 51.8 -55.8 -39.6 8.6 -50.0 -20.1 1001 219 D F H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.810 108.0 51.9 -66.9 -34.8 10.7 -46.9 -19.6 1002 220 D Q H > S+ 0 0 25 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.900 110.0 48.6 -67.9 -42.1 13.1 -48.9 -17.4 1003 221 D R H X S+ 0 0 78 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 111.0 51.2 -59.6 -50.3 13.4 -51.5 -20.2 1004 222 D K H X S+ 0 0 58 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.891 107.3 53.1 -54.0 -47.6 14.0 -48.7 -22.8 1005 223 D E H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.905 110.4 47.0 -55.9 -47.3 16.8 -47.2 -20.6 1006 224 D I H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.899 108.8 54.5 -62.9 -44.5 18.6 -50.5 -20.4 1007 225 D E H X S+ 0 0 81 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.880 108.9 49.1 -56.5 -41.8 18.3 -51.2 -24.2 1008 226 D D H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.855 109.0 51.4 -67.8 -37.5 20.0 -47.8 -24.8 1009 227 D I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.912 111.0 50.4 -64.6 -42.0 22.8 -48.5 -22.4 1010 228 D I H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.974 111.1 46.2 -56.0 -60.6 23.3 -51.8 -24.2 1011 229 D R H X S+ 0 0 98 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.812 114.0 49.2 -55.8 -38.4 23.5 -50.2 -27.7 1012 230 D I H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.945 113.2 46.0 -65.3 -49.8 25.8 -47.5 -26.5 1013 231 D T H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.848 110.7 54.3 -61.1 -38.2 28.2 -50.1 -24.8 1014 232 D E H X>S+ 0 0 36 -4,-2.8 5,-1.8 2,-0.2 4,-1.5 0.851 108.9 47.7 -62.7 -38.8 28.0 -52.2 -28.0 1015 233 D E H <5S+ 0 0 99 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.867 110.7 52.5 -69.8 -38.8 29.1 -49.2 -30.1 1016 234 D I H <5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 119.8 33.8 -60.1 -48.4 31.9 -48.5 -27.5 1017 235 D F H <5S- 0 0 8 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.680 99.2-136.8 -78.5 -21.0 33.2 -52.2 -27.8 1018 236 D T T <5S+ 0 0 42 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.937 75.3 94.6 55.7 52.6 32.2 -52.5 -31.5 1019 237 D E S - 0 0 14 -698,-0.3 4,-2.2 -2,-0.3 3,-0.2 -0.484 37.0-113.2 -81.6 151.8 27.6 -57.5 -29.5 1021 239 D A H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.820 114.9 49.6 -46.7 -49.4 26.4 -57.7 -25.9 1022 240 D E H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.933 111.9 49.0 -61.5 -46.5 26.6 -61.5 -25.7 1023 241 D S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.869 109.2 54.7 -58.6 -38.3 30.2 -61.5 -27.2 1024 242 D I H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.966 113.3 38.4 -62.3 -53.5 31.2 -58.8 -24.7 1025 243 D V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.954 117.8 48.1 -64.5 -53.1 30.2 -60.7 -21.6 1026 244 D I H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.897 114.0 48.0 -55.7 -44.9 31.3 -64.2 -22.7 1027 245 D N H X S+ 0 0 53 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.868 111.4 50.8 -63.3 -37.6 34.7 -62.8 -23.8 1028 246 D E H X S+ 0 0 27 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.886 108.9 50.9 -69.2 -39.1 35.1 -60.9 -20.5 1029 247 D R H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 114.3 43.7 -61.1 -43.1 34.4 -64.0 -18.5 1030 248 D Y H X S+ 0 0 53 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.788 111.3 52.9 -77.5 -28.5 36.9 -66.1 -20.4 1031 249 D A H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 112.0 47.9 -67.1 -45.0 39.6 -63.3 -20.4 1032 250 D F H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.917 111.4 48.7 -59.6 -49.8 39.1 -63.2 -16.6 1033 251 D I H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.909 111.2 51.2 -59.3 -44.3 39.4 -67.0 -16.2 1034 252 D E H X S+ 0 0 61 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.902 109.6 48.7 -58.9 -47.6 42.5 -67.1 -18.4 1035 253 D R H < S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.5 47.6 -56.0 -46.6 44.3 -64.3 -16.3 1036 254 D V H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.898 110.6 49.0 -62.6 -48.0 43.4 -66.2 -13.1 1037 255 D C H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 98.9 67.1 -69.6 -26.4 44.5 -69.7 -14.3 1038 256 D Q T 3< 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.498 360.0 360.0 -71.6 -4.9 47.9 -68.4 -15.5 1039 257 D M < 0 0 104 -3,-1.3 -129,-0.2 -4,-0.2 -122,-0.1 -0.807 360.0 360.0 -91.4 360.0 48.7 -67.7 -11.8