==== 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 3B1Z . 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 . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 3 0 1 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 1 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 . 1 0 1 0 1 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 1 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 1 A M 0 0 128 0, 0.0 2,-0.4 0, 0.0 48,-0.2 0.000 360.0 360.0 360.0 133.7 -4.8 -14.8 -17.7 2 2 A T E -a 49 0A 43 46,-1.1 48,-2.1 77,-0.1 2,-0.6 -0.658 360.0-156.3 -81.9 127.2 -1.2 -14.7 -19.0 3 3 A E E -a 50 0A 42 -2,-0.4 77,-2.3 46,-0.2 78,-1.6 -0.918 7.5-169.4-111.6 109.2 0.5 -11.3 -18.5 4 4 A I E -ab 51 81A 0 46,-1.9 48,-2.4 -2,-0.6 2,-0.5 -0.886 14.5-143.0-101.2 119.4 3.4 -10.6 -20.9 5 5 A A E -ab 52 82A 0 76,-2.6 78,-3.2 -2,-0.6 2,-0.6 -0.736 9.5-151.6 -84.2 121.7 5.5 -7.6 -20.0 6 6 A L E +ab 53 83A 0 46,-2.4 48,-2.6 -2,-0.5 2,-0.3 -0.873 30.8 155.6 -96.8 118.0 6.7 -5.7 -23.1 7 7 A I E + b 0 84A 0 76,-1.8 78,-2.0 -2,-0.6 2,-0.3 -0.997 0.9 124.0-146.3 143.6 10.0 -3.9 -22.4 8 8 A G E - b 0 85A 0 -2,-0.3 49,-1.9 47,-0.2 78,-0.2 -0.961 56.1 -53.4-172.3-174.3 12.9 -2.7 -24.4 9 9 A N > - 0 0 2 76,-0.8 3,-0.7 -2,-0.3 5,-0.4 -0.392 61.3 -97.2 -68.9 152.9 15.2 0.3 -25.3 10 10 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.583 112.4 28.8 -65.3 143.4 13.7 3.5 -26.5 11 11 A N T 3 S+ 0 0 143 -2,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.856 85.7 110.8 68.5 41.8 13.8 3.6 -30.4 12 12 A S S < S- 0 0 1 -3,-0.7 76,-0.1 75,-0.0 101,-0.1 0.224 96.0-105.2-118.5 5.0 13.6 -0.2 -30.8 13 13 A G S > S+ 0 0 14 100,-0.1 4,-2.4 74,-0.1 5,-0.1 0.742 79.8 137.3 71.4 26.4 10.1 -0.1 -32.3 14 14 A K H > S+ 0 0 10 -5,-0.4 4,-2.0 2,-0.2 5,-0.1 0.923 74.4 42.7 -67.5 -48.6 8.7 -1.4 -29.0 15 15 A T H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.791 113.4 56.0 -67.3 -31.0 5.8 1.1 -29.0 16 16 A S H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.922 109.3 44.7 -62.1 -48.6 5.4 0.2 -32.7 17 17 A L H X S+ 0 0 3 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.834 107.5 59.0 -66.4 -36.2 5.1 -3.5 -31.9 18 18 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.5 0.915 107.7 45.7 -56.9 -48.5 2.6 -2.9 -29.0 19 19 A N H X S+ 0 0 69 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.821 112.0 51.3 -65.4 -36.4 0.2 -1.2 -31.3 20 20 A L H < S+ 0 0 104 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.618 116.2 41.3 -77.8 -15.8 0.5 -4.0 -33.9 21 21 A I H < S+ 0 0 9 -4,-1.0 23,-3.1 -3,-0.5 24,-0.4 0.838 121.3 36.9 -95.2 -44.2 -0.1 -6.7 -31.3 22 22 A T H >< S- 0 0 4 -4,-2.5 2,-0.7 21,-0.3 3,-0.7 0.635 84.5-168.5 -88.1 -19.2 -3.0 -5.2 -29.3 23 23 A G T 3< - 0 0 24 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.550 61.0 -20.2 74.1-107.7 -4.9 -3.4 -32.1 24 24 A H T 3 S+ 0 0 184 -2,-0.7 2,-1.2 1,-0.1 -1,-0.2 0.739 111.1 86.0-111.5 -35.9 -7.5 -1.0 -30.9 25 25 A N < + 0 0 127 -3,-0.7 17,-0.6 17,-0.2 2,-0.5 -0.621 53.2 157.3 -76.6 96.7 -8.4 -2.0 -27.3 26 26 A Q E -C 41 0A 71 -2,-1.2 2,-0.5 15,-0.2 15,-0.2 -0.984 24.6-161.1-127.5 117.6 -5.7 -0.1 -25.3 27 27 A R E -C 40 0A 141 13,-0.9 13,-1.3 -2,-0.5 2,-0.4 -0.883 9.5-170.1-103.3 123.2 -6.3 0.7 -21.6 28 28 A V E +C 39 0A 82 -2,-0.5 11,-0.2 11,-0.2 2,-0.1 -0.948 18.8 139.6-120.7 132.8 -4.2 3.4 -20.0 29 29 A G E -C 38 0A 42 9,-2.8 9,-1.9 -2,-0.4 2,-0.3 -0.374 44.9 -78.7-137.3-143.5 -3.9 4.3 -16.3 30 30 A N E -C 37 0A 92 7,-0.2 7,-0.2 -2,-0.1 5,-0.1 -0.999 29.5-120.2-141.3 138.5 -1.4 5.3 -13.7 31 31 A W > - 0 0 21 5,-1.8 3,-1.3 -2,-0.3 5,-0.1 -0.552 50.7 -87.9 -74.4 140.4 1.3 3.5 -11.6 32 32 A P T 3 S- 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.272 104.6 -3.1 -59.5 124.3 0.8 3.8 -7.8 33 33 A G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.188 118.4 84.1 84.6 -13.9 2.5 6.9 -6.2 34 34 A V S < S- 0 0 53 -3,-1.3 -1,-0.2 2,-0.1 -3,-0.1 -0.808 76.0-130.5-122.5 160.4 4.1 8.1 -9.5 35 35 A S + 0 0 120 -2,-0.3 2,-0.3 -5,-0.1 -1,-0.0 0.319 67.0 128.3 -88.0 6.1 3.1 10.2 -12.5 36 36 A V - 0 0 13 -5,-0.1 -5,-1.8 1,-0.1 -2,-0.1 -0.491 65.6-111.8 -69.8 126.8 4.5 7.5 -14.8 37 37 A E E -C 30 0A 105 -2,-0.3 2,-0.6 -7,-0.2 -7,-0.2 -0.289 20.4-149.2 -60.2 137.5 2.0 6.4 -17.5 38 38 A R E -C 29 0A 85 -9,-1.9 -9,-2.8 16,-0.1 2,-0.3 -0.852 19.7-177.3-115.0 92.6 0.5 2.8 -17.3 39 39 A K E +C 28 0A 37 -2,-0.6 14,-0.9 14,-0.5 2,-0.3 -0.710 10.6 157.0 -93.0 140.4 -0.2 1.5 -20.8 40 40 A S E +CD 27 52A 2 -13,-1.3 -13,-0.9 -2,-0.3 2,-0.2 -0.921 9.8 168.1-151.9 170.8 -1.8 -1.9 -21.4 41 41 A G E -CD 26 51A 5 10,-1.2 10,-3.3 -2,-0.3 2,-0.2 -0.782 32.6-108.4 171.9 145.3 -3.8 -3.9 -23.9 42 42 A L E - D 0 50A 73 -17,-0.6 8,-0.2 8,-0.3 2,-0.2 -0.577 49.1 -94.5 -83.0 146.2 -5.1 -7.4 -24.9 43 43 A V - 0 0 11 6,-2.6 -21,-0.3 3,-0.7 6,-0.2 -0.436 27.4-138.4 -66.1 126.2 -3.6 -9.2 -27.9 44 44 A K S S+ 0 0 86 -23,-3.1 3,-0.2 1,-0.2 -22,-0.1 0.823 103.5 32.9 -51.9 -43.0 -5.7 -8.6 -31.1 45 45 A K S S+ 0 0 117 -24,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.646 129.2 37.8 -93.8 -19.6 -5.5 -12.2 -32.3 46 46 A N > - 0 0 70 3,-0.1 3,-1.5 1,-0.1 -3,-0.7 -0.812 60.8-177.5-135.8 95.8 -5.5 -13.8 -28.8 47 47 A K T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.594 77.6 73.8 -67.5 -14.1 -7.8 -12.0 -26.3 48 48 A D T 3 S+ 0 0 122 -6,-0.1 -46,-1.1 -47,-0.0 2,-0.5 0.424 87.2 75.2 -77.2 -2.2 -6.6 -14.3 -23.4 49 49 A L E < -a 2 0A 9 -3,-1.5 -6,-2.6 -6,-0.2 2,-0.6 -0.965 65.4-160.1-118.4 123.6 -3.3 -12.5 -23.3 50 50 A E E -aD 3 42A 41 -48,-2.1 -46,-1.9 -2,-0.5 2,-0.6 -0.906 11.0-149.6-100.8 124.7 -2.9 -9.1 -21.7 51 51 A I E -aD 4 41A 0 -10,-3.3 -10,-1.2 -2,-0.6 2,-0.8 -0.869 4.3-154.4 -98.1 120.9 0.3 -7.2 -22.8 52 52 A Q E -aD 5 40A 0 -48,-2.4 -46,-2.4 -2,-0.6 2,-0.3 -0.843 11.1-147.6 -97.6 100.4 1.7 -4.9 -20.2 53 53 A D E -a 6 0A 9 -14,-0.9 -14,-0.5 -2,-0.8 -46,-0.2 -0.529 12.8-163.7 -70.2 127.8 3.6 -2.1 -21.9 54 54 A L - 0 0 0 -48,-2.6 -46,-0.2 -2,-0.3 3,-0.1 -0.843 31.2 -93.1-108.1 150.3 6.6 -0.9 -19.8 55 55 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -47,-0.2 -0.325 49.0 -93.2 -65.9 147.4 8.3 2.5 -20.5 56 56 A G + 0 0 28 -49,-0.1 2,-0.3 -47,-0.1 -47,-0.2 -0.456 57.5 172.7 -62.7 116.9 11.4 2.4 -22.8 57 57 A I - 0 0 4 -49,-1.9 40,-0.1 -2,-0.3 3,-0.1 -0.957 36.2-154.8-132.1 147.5 14.4 2.1 -20.6 58 58 A Y S S- 0 0 121 -2,-0.3 2,-0.2 -49,-0.1 39,-0.2 0.761 80.4 -2.5 -88.9 -29.4 18.2 1.5 -21.2 59 59 A S - 0 0 21 2,-0.1 2,-0.1 38,-0.1 38,-0.1 -0.803 66.3-110.2-145.6-177.6 19.0 -0.1 -17.8 60 60 A M + 0 0 0 -2,-0.2 -3,-0.0 -3,-0.1 8,-0.0 -0.545 59.8 149.7-121.0 64.7 17.4 -1.0 -14.4 61 61 A S > - 0 0 21 -2,-0.1 3,-0.7 1,-0.1 10,-0.1 -0.503 58.3-119.6 -92.0 161.6 19.2 1.6 -12.3 62 62 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.378 100.8 77.9 -80.0 5.3 17.9 3.2 -9.0 63 63 A Y T 3 S+ 0 0 159 1,-0.0 -3,-0.0 4,-0.0 0, 0.0 0.612 83.4 62.7 -91.6 -16.5 18.2 6.7 -10.7 64 64 A S <> - 0 0 26 -3,-0.7 4,-1.8 1,-0.1 5,-0.1 -0.923 61.0-151.3-118.1 137.7 15.0 6.7 -12.9 65 65 A P H > S+ 0 0 70 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 0.900 105.2 53.2 -68.2 -40.0 11.3 6.5 -11.9 66 66 A E H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.854 111.3 46.5 -56.2 -40.2 10.6 4.7 -15.2 67 67 A E H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.795 112.2 50.0 -74.1 -32.6 13.3 2.2 -14.4 68 68 A K H X S+ 0 0 48 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.901 109.4 52.2 -67.7 -46.4 11.9 1.8 -10.9 69 69 A V H X S+ 0 0 14 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.948 112.4 45.0 -52.4 -55.8 8.4 1.3 -12.3 70 70 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.892 116.8 45.6 -55.7 -48.3 9.8 -1.5 -14.6 71 71 A R H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 3,-0.4 0.964 111.0 49.5 -62.1 -59.1 11.8 -3.1 -11.9 72 72 A D H X S+ 0 0 73 -4,-3.0 4,-1.3 1,-0.3 -1,-0.2 0.801 110.4 52.6 -52.8 -38.2 9.2 -3.1 -9.1 73 73 A Y H <>S+ 0 0 13 -4,-1.9 5,-1.1 -5,-0.3 6,-0.5 0.903 111.1 46.1 -63.7 -45.6 6.6 -4.7 -11.5 74 74 A L H <5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.766 113.7 48.2 -71.5 -27.3 9.0 -7.5 -12.4 75 75 A L H <5S+ 0 0 15 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.688 102.1 61.4 -87.1 -19.6 9.9 -8.2 -8.8 76 76 A S T <5S- 0 0 68 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.623 104.7-137.0 -74.6 -15.5 6.3 -8.2 -7.6 77 77 A Q T 5 + 0 0 82 -4,-0.4 -3,-0.2 -3,-0.2 -2,-0.1 0.720 62.6 134.8 62.0 30.5 6.1 -11.2 -10.1 78 78 A R < + 0 0 67 -5,-1.1 2,-0.4 2,-0.0 -75,-0.1 0.702 56.3 78.9 -74.1 -22.0 2.7 -10.0 -11.5 79 79 A A - 0 0 0 -6,-0.5 -75,-0.2 1,-0.1 3,-0.1 -0.753 61.2-166.2 -90.5 134.6 4.2 -10.7 -15.0 80 80 A D S S+ 0 0 36 -77,-2.3 76,-1.6 -2,-0.4 2,-0.3 0.848 74.4 12.1 -81.2 -40.9 4.3 -14.3 -16.2 81 81 A S E -b 4 0A 0 -78,-1.6 -76,-2.6 74,-0.2 2,-0.5 -0.880 64.4-134.0-135.2 160.6 6.6 -13.6 -19.1 82 82 A I E -be 5 108A 0 25,-2.3 27,-2.4 72,-0.3 2,-0.7 -0.995 9.6-164.1-117.8 127.5 8.9 -10.9 -20.5 83 83 A L E -be 6 109A 1 -78,-3.2 -76,-1.8 -2,-0.5 2,-0.8 -0.927 16.5-159.9-108.5 99.3 8.8 -10.0 -24.2 84 84 A N E -be 7 110A 1 25,-3.2 27,-1.9 -2,-0.7 2,-0.6 -0.744 4.7-150.6 -88.0 106.0 12.0 -8.1 -24.6 85 85 A V E -be 8 111A 0 -78,-2.0 -76,-0.8 -2,-0.8 2,-0.5 -0.684 20.3-173.4 -80.0 120.2 12.0 -5.9 -27.8 86 86 A V E - e 0 112A 1 25,-2.4 27,-2.6 -2,-0.6 2,-0.7 -0.971 24.3-133.9-125.6 124.3 15.6 -5.6 -29.0 87 87 A D E > - e 0 113A 9 -2,-0.5 3,-0.8 3,-0.2 7,-0.3 -0.690 13.6-159.2 -76.0 113.8 16.9 -3.4 -31.9 88 88 A A G > S+ 0 0 14 25,-2.2 3,-1.0 -2,-0.7 -1,-0.1 0.741 86.8 65.1 -66.7 -28.3 19.2 -5.6 -34.0 89 89 A T G 3 S+ 0 0 85 1,-0.3 -1,-0.2 24,-0.2 3,-0.1 0.772 115.3 31.2 -66.3 -27.9 21.0 -2.6 -35.5 90 90 A N G <> S+ 0 0 67 -3,-0.8 4,-1.9 1,-0.1 -1,-0.3 -0.502 79.8 152.0-125.2 59.3 22.4 -1.7 -32.0 91 91 A L H <> + 0 0 21 -3,-1.0 4,-1.9 1,-0.2 -1,-0.1 0.905 67.4 49.6 -59.7 -51.7 22.5 -5.3 -30.6 92 92 A E H 4 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.887 114.4 44.8 -55.3 -46.7 25.4 -4.8 -28.1 93 93 A R H >4 S+ 0 0 129 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.832 113.0 49.8 -70.2 -37.4 23.9 -1.7 -26.5 94 94 A N H >X S+ 0 0 4 -4,-1.9 4,-1.1 -7,-0.3 3,-0.7 0.796 101.2 64.5 -70.6 -32.3 20.3 -3.1 -26.3 95 95 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.476 82.9 77.5 -73.5 -3.8 21.6 -6.3 -24.6 96 96 A Y H <> S+ 0 0 34 -3,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.928 101.2 39.9 -68.3 -45.7 22.7 -4.3 -21.6 97 97 A L H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 3,-0.5 0.917 111.0 60.2 -63.1 -47.2 19.1 -4.1 -20.4 98 98 A T H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 5,-0.2 0.875 99.9 53.4 -49.0 -51.9 18.5 -7.8 -21.5 99 99 A T H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.874 112.2 46.4 -53.8 -40.9 21.1 -9.2 -19.2 100 100 A Q H X S+ 0 0 2 -4,-0.9 4,-0.7 -3,-0.5 -2,-0.2 0.894 110.0 53.2 -68.9 -43.2 19.4 -7.4 -16.3 101 101 A L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 5,-0.5 0.871 107.1 52.1 -58.0 -41.5 15.9 -8.6 -17.4 102 102 A I H >< S+ 0 0 6 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.813 103.0 59.6 -64.6 -33.9 17.1 -12.3 -17.4 103 103 A E H 3< S+ 0 0 1 -4,-1.1 90,-0.9 1,-0.2 -1,-0.2 0.667 88.1 73.0 -70.9 -20.3 18.4 -11.9 -13.8 104 104 A T T << S- 0 0 2 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.737 105.4-122.8 -67.5 -25.8 14.9 -11.0 -12.5 105 105 A G S < S+ 0 0 0 -3,-0.9 -3,-0.1 1,-0.4 -2,-0.1 0.419 74.5 121.4 96.6 -1.1 13.9 -14.6 -12.9 106 106 A I S S- 0 0 1 -5,-0.5 -1,-0.4 -25,-0.0 -2,-0.2 -0.878 76.2-105.1 -91.1 122.1 10.9 -13.9 -15.1 107 107 A P - 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0 0 46 -4,-0.8 3,-0.2 -3,-0.5 -1,-0.2 -0.357 70.0 -24.2 56.8-119.0 19.3 -16.8 3.0 184 189 A N T 3 S+ 0 0 155 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.099 106.6 108.4-109.8 19.0 15.6 -16.6 2.5 185 190 A S S < S+ 0 0 46 -3,-2.3 25,-0.2 2,-0.1 -1,-0.1 0.592 86.3 34.2 -71.2 -12.2 15.4 -12.8 2.7 186 191 A V S S- 0 0 13 -3,-0.2 2,-0.1 -4,-0.1 5,-0.1 -0.911 99.1 -91.2-136.0 158.0 14.7 -12.7 -1.1 187 192 A P > - 0 0 50 0, 0.0 4,-0.9 0, 0.0 3,-0.2 -0.467 29.0-126.5 -73.0 150.1 12.9 -15.1 -3.5 188 193 A Q T >4 S+ 0 0 170 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.910 109.2 59.0 -56.6 -46.8 14.8 -17.8 -5.2 189 194 A R T 34 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.869 120.5 25.3 -48.1 -48.2 13.6 -16.6 -8.6 190 195 A S T 3> S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.300 89.6 109.5-105.8 7.0 15.1 -13.1 -8.1 191 196 A A H S+ 0 0 27 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.891 110.2 54.3 -58.8 -42.7 20.7 -13.4 -8.2 193 198 A F H > S+ 0 0 1 -90,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.917 111.9 43.5 -55.9 -48.2 19.1 -10.1 -9.2 194 199 A Y H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.772 110.3 56.7 -68.5 -30.8 19.1 -8.9 -5.6 195 200 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.857 108.8 45.1 -70.5 -39.4 22.7 -10.2 -5.0 196 201 A I H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.883 112.5 51.6 -69.5 -42.5 24.1 -8.1 -7.9 197 202 A K H <>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 4,-0.3 0.905 110.4 48.7 -62.4 -43.2 22.2 -5.0 -6.8 198 203 A L H ><5S+ 0 0 4 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.837 109.5 52.5 -64.0 -36.4 23.5 -5.4 -3.3 199 204 A F H 3<5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 109.6 49.0 -61.1 -47.7 27.0 -5.8 -4.7 200 205 A E T 3<5S- 0 0 24 -4,-2.5 -1,-0.2 34,-0.1 35,-0.2 0.511 115.7-120.6 -66.3 -9.5 26.5 -2.5 -6.7 201 206 A Q T < 5 - 0 0 96 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.944 38.4-164.6 59.7 52.5 25.2 -0.9 -3.4 202 207 A D >< - 0 0 4 -5,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.550 15.9-146.3 -69.7 122.5 21.8 -0.1 -5.0 203 208 A S H > S+ 0 0 83 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.900 95.6 49.3 -56.9 -46.5 19.9 2.4 -2.9 204 209 A L H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 114.6 42.1 -62.5 -51.2 16.5 0.9 -3.7 205 210 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 112.5 53.7 -64.1 -46.4 17.4 -2.7 -2.9 206 211 A E H < S+ 0 0 100 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.827 117.2 38.8 -54.9 -38.0 19.4 -1.8 0.3 207 212 A A H < S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.737 113.2 56.7 -85.4 -27.3 16.4 0.1 1.6 208 213 A E H < S+ 0 0 94 -4,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.888 96.8 70.1 -70.9 -43.5 13.8 -2.4 0.3 209 214 A L S < S- 0 0 22 -4,-2.3 2,-1.3 -5,-0.1 -23,-0.1 -0.565 77.2-133.7 -85.7 139.3 15.2 -5.5 2.2 210 215 A D + 0 0 99 -2,-0.2 2,-0.4 -25,-0.2 -3,-0.1 -0.743 39.9 176.5 -89.5 89.4 15.0 -6.0 5.9 211 216 A L - 0 0 27 -2,-1.3 -29,-0.1 -5,-0.3 -2,-0.0 -0.849 26.0-124.6-105.4 132.3 18.6 -7.1 6.4 212 217 A S > - 0 0 59 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.209 30.4-105.0 -66.2 157.9 20.2 -7.9 9.8 213 218 A Q H > S+ 0 0 141 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.838 122.3 53.3 -51.6 -37.9 23.4 -6.1 11.1 214 219 A F H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 107.7 47.4 -63.7 -52.4 25.2 -9.4 10.3 215 220 A Q H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 112.1 50.3 -57.2 -46.3 24.1 -9.7 6.7 216 221 A R H X S+ 0 0 124 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.820 110.9 50.0 -60.7 -36.3 24.9 -6.1 5.9 217 222 A K H X S+ 0 0 54 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.813 110.5 49.4 -73.4 -35.0 28.4 -6.5 7.4 218 223 A E H X S+ 0 0 73 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 108.7 51.7 -69.9 -43.6 29.1 -9.7 5.4 219 224 A I H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 109.4 52.5 -57.7 -45.3 28.0 -8.0 2.1 220 225 A E H X S+ 0 0 113 -4,-1.6 4,-3.5 2,-0.2 -2,-0.2 0.926 107.8 48.8 -55.0 -53.7 30.4 -5.1 3.0 221 226 A D H X S+ 0 0 68 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.887 112.5 50.0 -53.4 -45.2 33.4 -7.5 3.5 222 227 A I H X S+ 0 0 9 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.894 113.5 44.4 -62.8 -45.1 32.6 -9.2 0.2 223 228 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 112.6 52.8 -64.0 -49.6 32.4 -5.8 -1.7 224 229 A R H X S+ 0 0 152 -4,-3.5 4,-1.4 1,-0.2 -2,-0.2 0.885 113.9 41.1 -53.6 -47.5 35.6 -4.5 0.0 225 230 A I H X S+ 0 0 90 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.882 115.2 49.8 -72.1 -39.6 37.7 -7.6 -1.0 226 231 A T H X S+ 0 0 13 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.857 109.7 52.3 -67.8 -37.2 36.2 -7.9 -4.6 227 232 A E H X>S+ 0 0 58 -4,-2.7 4,-1.8 1,-0.2 5,-1.5 0.861 110.5 49.3 -63.1 -37.8 36.9 -4.1 -5.1 228 233 A E H <5S+ 0 0 59 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.888 108.2 51.5 -68.5 -42.9 40.5 -4.7 -4.0 229 234 A I H <5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 121.7 33.5 -68.2 -29.2 41.1 -7.7 -6.3 230 235 A F H <5S- 0 0 39 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.725 95.6-138.9 -90.2 -26.6 39.8 -5.7 -9.3 231 236 A T T <5S+ 0 0 124 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.942 71.5 108.1 52.4 53.8 41.1 -2.2 -8.2 232 237 A E S - 0 0 77 -2,-0.3 4,-1.7 -3,-0.1 3,-0.4 -0.424 38.5-111.5 -70.7 148.8 34.6 0.3 -7.7 234 239 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.823 114.0 50.9 -47.9 -48.8 31.7 -2.3 -7.3 235 240 A E H > S+ 0 0 64 1,-0.2 4,-2.0 -35,-0.2 -1,-0.2 0.907 110.7 49.6 -59.9 -45.3 29.3 -0.6 -9.7 236 241 A S H > S+ 0 0 30 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.822 103.6 60.3 -62.4 -37.0 31.9 -0.4 -12.5 237 242 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.945 108.2 44.1 -57.3 -50.7 32.9 -4.1 -12.1 238 243 A V H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.935 111.9 53.0 -59.9 -49.9 29.3 -5.1 -12.9 239 244 A I H X S+ 0 0 51 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.901 111.6 45.6 -52.6 -47.4 29.1 -2.7 -15.9 240 245 A N H X S+ 0 0 81 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.834 111.5 53.1 -67.2 -34.0 32.3 -4.1 -17.4 241 246 A E H X S+ 0 0 20 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.876 107.5 50.8 -68.2 -41.8 31.1 -7.7 -16.8 242 247 A R H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.957 114.5 42.9 -60.3 -54.6 27.8 -7.1 -18.6 243 248 A Y H X S+ 0 0 104 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.880 113.6 52.7 -59.7 -41.6 29.6 -5.6 -21.7 244 249 A A H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.930 111.5 46.0 -59.4 -48.2 32.2 -8.3 -21.6 245 250 A F H X S+ 0 0 23 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.909 112.9 50.5 -57.9 -47.8 29.5 -11.0 -21.6 246 251 A I H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.889 111.1 48.4 -58.5 -44.5 27.6 -9.2 -24.4 247 252 A E H X S+ 0 0 109 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.916 112.1 48.5 -64.2 -44.4 30.8 -9.0 -26.5 248 253 A R H X S+ 0 0 128 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.891 115.8 45.6 -57.6 -43.2 31.5 -12.7 -25.9 249 254 A V H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.883 111.9 49.6 -68.4 -43.5 27.9 -13.4 -26.9 250 255 A C H 3< S+ 0 0 47 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.779 97.4 68.7 -69.7 -29.4 27.9 -11.1 -30.0 251 256 A Q H 3< 0 0 165 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.847 360.0 360.0 -52.7 -37.0 31.2 -12.8 -31.1 252 257 A M << 0 0 94 -3,-0.7 -131,-0.3 -4,-0.6 -2,-0.2 0.937 360.0 360.0 -78.9 360.0 28.9 -15.8 -31.6