==== 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 BINDING PROTEIN 03-MAR-99 1TOA . COMPND 2 MOLECULE: PROTEIN (PERIPLASMIC BINDING PROTEIN TROA); . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM; . AUTHOR Y.H.LEE,R.K.DEKA,M.V.NORGARD,J.D.RADOLF,C.A.HASEMANN . 554 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 2 0.4 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 5 0 1 0 4 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 32 A G 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.1 51.3 29.5 40.8 2 33 A K - 0 0 103 1,-0.1 22,-0.2 20,-0.0 21,-0.0 -0.570 360.0-109.9 -86.0 145.8 47.7 29.6 42.1 3 34 A P - 0 0 17 0, 0.0 22,-2.9 0, 0.0 2,-0.5 -0.323 27.4-122.0 -71.8 157.7 45.3 32.3 40.9 4 35 A L E -a 25 0A 20 47,-0.3 49,-2.7 20,-0.2 50,-1.6 -0.899 21.5-166.5-104.2 126.0 44.1 35.2 43.1 5 36 A V E -ab 26 54A 0 20,-3.1 22,-2.4 -2,-0.5 2,-0.4 -0.961 4.5-164.2-110.9 126.5 40.4 35.6 43.9 6 37 A V E -ab 27 55A 1 48,-2.6 50,-2.6 -2,-0.5 2,-0.3 -0.955 10.0-177.1-114.6 130.1 39.4 38.9 45.4 7 38 A T E -ab 28 56A 1 20,-2.5 22,-3.0 -2,-0.4 23,-0.3 -0.847 21.6-150.8-121.9 162.5 35.9 39.3 47.1 8 39 A T S S+ 0 0 1 48,-1.1 22,-1.9 -2,-0.3 -1,-0.2 0.835 76.8 39.1 -94.8 -82.5 34.0 42.1 48.7 9 40 A I S >> S- 0 0 2 20,-0.1 4,-1.5 1,-0.1 3,-1.1 -0.389 78.1-124.5 -74.5 146.8 31.6 40.8 51.4 10 41 A G H 3> S+ 0 0 15 20,-0.4 4,-2.5 1,-0.3 250,-0.2 0.756 106.5 67.0 -59.6 -29.4 32.6 37.9 53.7 11 42 A M H 3> S+ 0 0 0 1,-0.2 4,-1.1 237,-0.2 -1,-0.3 0.859 105.2 44.2 -61.1 -35.2 29.5 35.8 52.7 12 43 A I H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 3,-0.3 0.900 109.9 54.2 -75.4 -42.2 31.0 35.5 49.2 13 44 A A H X S+ 0 0 8 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.889 104.3 58.0 -58.3 -36.2 34.5 34.8 50.6 14 45 A D H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.886 104.7 49.3 -61.6 -40.7 32.9 32.0 52.6 15 46 A A H X S+ 0 0 1 -4,-1.1 4,-2.2 -3,-0.3 5,-0.3 0.903 110.8 50.1 -66.5 -40.3 31.7 30.3 49.4 16 47 A V H X>S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.9 0.918 109.3 52.2 -63.8 -42.0 35.1 30.6 47.8 17 48 A K H X5S+ 0 0 109 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.912 113.8 43.0 -59.5 -45.0 36.7 29.0 50.9 18 49 A N H <5S+ 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.824 123.5 34.6 -72.5 -34.1 34.4 26.1 50.8 19 50 A I H <5S+ 0 0 0 -4,-2.2 116,-0.2 -5,-0.2 117,-0.2 0.909 131.9 25.7 -87.5 -48.1 34.5 25.5 47.0 20 51 A A H ><5S+ 0 0 0 -4,-2.6 3,-2.7 -5,-0.3 -3,-0.2 0.717 80.4 172.1 -89.4 -25.6 38.1 26.4 46.1 21 52 A Q G >< - 0 0 36 -2,-0.6 3,-1.9 1,-0.3 -21,-0.1 -0.126 46.8 -31.4 -98.4-162.6 35.8 41.9 57.0 32 63 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 219,-0.1 -0.149 127.7 15.2 -51.2 139.1 33.8 41.9 60.3 33 64 A G T 3 S+ 0 0 40 217,-0.5 2,-0.4 1,-0.2 218,-0.1 0.396 90.3 136.6 77.4 -4.4 32.0 45.1 61.1 34 65 A V < - 0 0 36 -3,-1.9 -1,-0.2 214,-0.1 -4,-0.1 -0.631 48.3-143.7 -83.2 130.7 32.4 46.6 57.5 35 66 A D > - 0 0 18 -2,-0.4 4,-1.2 1,-0.1 3,-0.5 -0.823 8.0-163.2 -92.7 111.3 29.4 48.3 56.0 36 67 A P T 4 S+ 0 0 1 0, 0.0 29,-0.5 0, 0.0 -1,-0.1 0.783 85.7 60.8 -65.8 -28.3 29.4 47.5 52.2 37 68 A H T 4 S+ 0 0 3 1,-0.2 28,-0.1 26,-0.2 152,-0.0 0.872 116.1 32.2 -65.5 -37.7 27.0 50.3 51.3 38 69 A L T 4 S+ 0 0 81 -3,-0.5 -1,-0.2 26,-0.1 2,-0.2 0.533 90.7 126.7 -98.1 -9.0 29.4 52.9 52.7 39 70 A Y < - 0 0 42 -4,-1.2 2,-0.5 1,-0.1 26,-0.4 -0.286 40.4-162.3 -62.4 127.6 32.7 51.2 51.9 40 71 A T - 0 0 92 -2,-0.2 2,-0.1 24,-0.1 26,-0.1 -0.909 26.4-117.4-109.5 126.1 35.4 53.1 49.9 41 72 A A - 0 0 19 -2,-0.5 2,-0.1 24,-0.3 -12,-0.0 -0.419 30.3-139.6 -62.3 127.8 38.1 51.0 48.3 42 73 A T > - 0 0 72 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.371 26.5-103.0 -81.3 169.8 41.6 51.9 49.7 43 74 A A H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.923 126.5 51.8 -60.6 -41.7 44.7 52.2 47.6 44 75 A G H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 107.4 53.1 -61.1 -40.3 45.8 48.8 48.9 45 76 A D H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 106.8 51.1 -60.4 -44.7 42.4 47.4 47.9 46 77 A V H X S+ 0 0 70 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.793 108.3 53.8 -65.8 -27.0 42.8 48.7 44.3 47 78 A E H X S+ 0 0 127 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.933 110.3 45.4 -69.8 -51.0 46.2 47.0 44.2 48 79 A W H >X S+ 0 0 113 -4,-2.2 3,-1.1 1,-0.2 4,-0.6 0.936 114.2 49.7 -56.9 -47.6 44.7 43.6 45.2 49 80 A L H >< S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.871 107.0 55.0 -60.6 -38.5 41.9 44.1 42.8 50 81 A G H 3< S+ 0 0 30 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.630 111.6 44.3 -71.7 -14.3 44.3 45.0 40.0 51 82 A N H << S+ 0 0 103 -3,-1.1 -47,-0.3 -4,-0.8 -1,-0.2 0.394 89.3 115.1-107.2 -1.8 46.2 41.7 40.5 52 83 A A << - 0 0 1 -3,-0.8 -47,-0.2 -4,-0.6 3,-0.2 -0.424 50.3-162.1 -74.8 143.2 43.2 39.5 40.8 53 84 A D S S+ 0 0 71 -49,-2.7 25,-1.5 1,-0.3 2,-0.4 0.700 87.6 23.7 -90.0 -25.0 42.5 36.8 38.3 54 85 A L E -bc 5 78A 0 -50,-1.6 -48,-2.6 23,-0.2 2,-0.5 -0.989 67.4-165.6-144.1 127.7 38.8 36.7 39.5 55 86 A I E -bc 6 79A 1 23,-2.3 25,-2.8 -2,-0.4 2,-0.5 -0.976 8.7-171.5-115.8 126.3 36.8 39.4 41.3 56 87 A L E +bc 7 80A 0 -50,-2.6 -48,-1.1 -2,-0.5 2,-0.3 -0.984 13.8 158.1-121.8 123.6 33.6 38.4 42.9 57 88 A Y E - c 0 81A 27 23,-2.1 25,-2.1 -2,-0.5 26,-0.4 -0.885 45.6-112.9-136.2 168.7 31.2 40.9 44.3 58 89 A N - 0 0 0 -2,-0.3 25,-1.7 23,-0.2 26,-0.3 0.960 40.9-168.4 -69.9 -51.1 27.5 40.9 45.2 59 90 A G > + 0 0 1 24,-0.1 3,-1.4 23,-0.1 4,-0.2 -0.553 51.8 109.1 88.9-161.6 26.1 43.4 42.6 60 91 A L T 3 S- 0 0 5 1,-0.3 39,-0.1 -2,-0.2 -1,-0.1 0.800 115.6 -73.2 57.2 28.3 22.5 44.7 42.9 61 92 A H T 3 S+ 0 0 44 2,-0.1 3,-0.4 1,-0.1 -1,-0.3 0.815 98.1 135.2 55.6 36.6 24.2 48.0 43.9 62 93 A L < + 0 0 0 -3,-1.4 2,-2.0 1,-0.3 3,-0.1 0.943 69.4 52.6 -72.4 -51.8 25.3 46.7 47.3 63 94 A E S > S+ 0 0 8 1,-0.2 3,-2.2 -4,-0.2 4,-0.4 -0.483 76.0 177.0 -84.5 71.1 28.8 48.1 47.0 64 95 A T T 3 S+ 0 0 35 -2,-2.0 3,-0.2 -3,-0.4 -1,-0.2 0.641 73.3 44.7 -54.2 -21.8 27.5 51.6 46.1 65 96 A K T 3 S+ 0 0 110 -29,-0.5 -1,-0.3 -26,-0.4 -24,-0.3 0.411 103.5 62.8-106.0 4.4 31.0 53.1 46.0 66 97 A M <> + 0 0 0 -3,-2.2 4,-2.5 1,-0.1 5,-0.2 0.374 66.5 101.8-112.2 4.4 32.9 50.4 44.1 67 98 A G H > S+ 0 0 22 -4,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.901 86.6 44.0 -54.8 -49.7 31.1 50.5 40.7 68 99 A E H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 110.5 55.5 -63.7 -42.5 33.7 52.5 38.9 69 100 A V H > S+ 0 0 32 -4,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.968 113.6 41.4 -54.2 -50.8 36.5 50.4 40.4 70 101 A F H >X S+ 0 0 3 -4,-2.5 4,-0.8 1,-0.2 3,-0.8 0.871 110.7 58.4 -64.8 -39.2 34.9 47.3 39.1 71 102 A S H >< S+ 0 0 23 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.898 104.9 49.3 -55.2 -49.5 34.1 49.0 35.7 72 103 A K H 3< S+ 0 0 149 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.650 107.8 55.9 -68.8 -16.9 37.7 49.8 35.0 73 104 A L H X< S+ 0 0 24 -3,-0.8 3,-1.2 -4,-0.7 4,-0.5 0.598 81.7 100.8 -93.2 -14.5 38.8 46.2 35.7 74 105 A R T << S+ 0 0 44 -4,-0.8 4,-0.1 -3,-0.8 302,-0.1 -0.432 75.2 39.2 -69.8 146.5 36.5 44.4 33.3 75 106 A G T 3 S+ 0 0 33 2,-0.7 -1,-0.2 300,-0.3 3,-0.1 0.082 111.1 60.4 101.9 -23.8 38.2 43.3 30.1 76 107 A S S < S+ 0 0 65 -3,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.482 116.4 2.0-112.7 -6.8 41.4 42.3 31.8 77 108 A R S S- 0 0 41 -4,-0.5 -2,-0.7 298,-0.2 2,-0.4 -0.960 90.1 -74.6-166.7 167.4 40.1 39.6 34.2 78 109 A L E -c 54 0A 2 -25,-1.5 -23,-2.3 296,-0.4 2,-0.4 -0.653 46.7-179.3 -76.3 125.7 36.9 37.8 35.1 79 110 A V E -c 55 0A 3 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.993 4.8-175.9-128.3 118.8 34.7 40.1 37.2 80 111 A V E -c 56 0A 0 -25,-2.8 -23,-2.1 -2,-0.4 2,-1.3 -0.971 27.2-155.3-129.0 122.9 31.4 38.6 38.4 81 112 A A E > -c 57 0A 2 -2,-0.4 3,-1.6 -25,-0.2 -23,-0.2 -0.808 23.4-164.1 -88.5 93.5 28.5 40.2 40.2 82 113 A V G > S+ 0 0 0 -25,-2.1 3,-1.2 -2,-1.3 -1,-0.2 0.843 80.2 52.1 -52.8 -39.9 27.3 36.9 41.7 83 114 A S G > S+ 0 0 0 -25,-1.7 3,-1.2 -26,-0.4 -1,-0.3 0.572 91.3 75.1 -79.2 -7.2 23.8 38.0 42.7 84 115 A E G < S+ 0 0 11 -3,-1.6 -1,-0.3 -26,-0.3 -2,-0.2 0.479 82.7 70.1 -81.7 2.3 23.0 39.5 39.3 85 116 A T G < S+ 0 0 13 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.479 75.3 103.2 -91.5 -5.7 22.5 35.9 38.2 86 117 A I S < S- 0 0 0 -3,-1.2 5,-0.1 1,-0.1 23,-0.0 -0.664 90.6-101.3 -76.1 128.4 19.4 35.8 40.3 87 118 A P >> - 0 0 18 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.243 25.0-123.7 -52.2 137.9 16.3 36.1 38.0 88 119 A V G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 306,-0.1 0.861 109.7 62.0 -52.6 -38.2 14.9 39.7 38.0 89 120 A S G 34 S+ 0 0 50 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.775 102.5 50.9 -61.4 -27.5 11.5 38.3 39.0 90 121 A Q G <4 S+ 0 0 68 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.520 91.8 94.4 -89.3 -5.7 12.9 37.0 42.3 91 122 A R S << S- 0 0 4 -3,-1.6 2,-0.6 -4,-0.5 8,-0.0 -0.561 80.2-119.3 -84.1 149.5 14.6 40.3 43.2 92 123 A L - 0 0 42 8,-0.4 8,-2.9 -2,-0.2 2,-0.4 -0.815 27.1-147.2 -91.2 120.1 12.8 42.7 45.5 93 124 A S B -D 99 0B 34 -2,-0.6 2,-0.9 6,-0.2 6,-0.3 -0.775 3.6-142.5 -90.1 131.7 12.3 46.0 43.7 94 125 A L S > S- 0 0 45 4,-3.7 3,-2.2 -2,-0.4 4,-0.3 -0.839 77.8 -38.0 -98.2 101.3 12.4 49.2 45.8 95 126 A E T 3 S- 0 0 169 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.766 105.2 -72.2 54.9 29.1 9.7 51.6 44.5 96 127 A E T 3 S+ 0 0 93 2,-0.2 260,-0.5 1,-0.1 -1,-0.3 0.719 127.3 90.0 59.7 25.3 10.7 50.4 40.9 97 128 A A S < S+ 0 0 26 -3,-2.2 2,-0.3 1,-0.4 256,-0.2 0.339 91.4 4.2-130.7 4.3 14.0 52.4 41.3 98 129 A E - 0 0 44 -4,-0.3 -4,-3.7 256,-0.1 -1,-0.4 -0.941 67.0-113.4-177.5 160.8 16.4 49.9 42.8 99 130 A F B -D 93 0B 12 -2,-0.3 -6,-0.2 -6,-0.3 -11,-0.0 -0.848 32.5-114.2-108.3 146.0 16.8 46.2 43.8 100 131 A D - 0 0 5 -8,-2.9 -8,-0.4 -2,-0.3 3,-0.1 -0.673 25.9-159.9 -74.7 125.7 17.2 45.1 47.4 101 132 A P + 0 0 6 0, 0.0 2,-2.1 0, 0.0 3,-0.3 0.644 63.5 98.9 -85.2 -10.6 20.7 43.6 47.5 102 133 A H > + 0 0 0 1,-0.2 3,-1.5 2,-0.1 71,-0.3 -0.120 36.3 139.7 -75.7 47.7 20.4 41.5 50.7 103 134 A V G > + 0 0 0 -2,-2.1 3,-1.5 1,-0.3 7,-0.4 0.656 51.9 79.9 -64.7 -18.0 19.7 38.2 48.9 104 135 A W G 3 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.586 79.8 69.8 -69.2 -10.2 21.8 36.2 51.3 105 136 A F G < S+ 0 0 4 -3,-1.5 2,-0.5 1,-0.2 -1,-0.3 0.292 88.4 63.5 -90.5 6.1 19.0 36.1 53.9 106 137 A D S <> S- 0 0 19 -3,-1.5 4,-2.7 1,-0.1 3,-0.4 -0.928 77.7-161.0-122.3 96.9 16.8 33.8 51.8 107 138 A V H > S+ 0 0 1 -2,-0.5 4,-0.9 1,-0.2 -1,-0.1 0.845 87.5 52.3 -52.5 -36.2 19.1 30.8 51.8 108 139 A K H 4 S+ 0 0 153 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.903 111.5 46.0 -69.2 -39.1 17.5 29.2 48.8 109 140 A L H >> S+ 0 0 2 -3,-0.4 3,-1.9 1,-0.2 4,-0.6 0.902 106.2 59.8 -68.4 -39.7 17.9 32.4 46.8 110 141 A W H 3X S+ 0 0 3 -4,-2.7 4,-2.4 -7,-0.4 3,-0.4 0.760 87.1 76.6 -60.9 -22.1 21.5 32.7 47.9 111 142 A S H 3X S+ 0 0 20 -4,-0.9 4,-2.2 -3,-0.5 -1,-0.3 0.785 88.6 58.5 -61.6 -24.8 22.1 29.3 46.2 112 143 A Y H <> S+ 0 0 83 -3,-1.9 4,-2.0 -4,-0.3 -1,-0.3 0.931 107.8 45.1 -66.8 -45.9 22.1 31.2 42.9 113 144 A S H X S+ 0 0 1 -4,-0.6 4,-1.8 -3,-0.4 -2,-0.2 0.909 112.9 50.0 -64.3 -42.5 25.0 33.3 44.1 114 145 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.897 109.3 52.5 -63.1 -39.5 26.9 30.4 45.5 115 146 A K H X S+ 0 0 64 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.886 107.5 52.3 -63.6 -37.3 26.4 28.6 42.2 116 147 A A H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.879 108.6 50.1 -66.0 -38.3 27.8 31.6 40.4 117 148 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.955 113.2 46.6 -63.1 -49.3 30.9 31.5 42.7 118 149 A Y H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.939 114.8 45.8 -56.9 -51.7 31.3 27.8 41.9 119 150 A E H X S+ 0 0 15 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.832 111.4 52.0 -64.3 -34.5 30.9 28.3 38.2 120 151 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.890 108.3 51.9 -68.5 -39.1 33.3 31.3 38.1 121 152 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.879 106.6 53.9 -65.1 -36.3 35.9 29.2 39.9 122 153 A C H < S+ 0 0 20 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.829 108.0 50.0 -67.4 -31.0 35.5 26.4 37.3 123 154 A K H < S+ 0 0 38 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 112.2 48.8 -71.1 -38.4 36.1 29.0 34.5 124 155 A L H < S+ 0 0 13 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.908 130.8 16.6 -66.8 -44.9 39.2 30.2 36.4 125 156 A L >< + 0 0 42 -4,-2.7 3,-2.3 1,-0.1 -1,-0.3 -0.655 65.6 171.3-133.0 78.4 40.6 26.6 36.9 126 157 A P G > S+ 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.814 79.0 65.1 -56.7 -31.0 38.9 24.2 34.5 127 158 A G G 3 S+ 0 0 77 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.652 100.8 51.3 -67.3 -15.4 41.4 21.5 35.5 128 159 A K G <> S+ 0 0 69 -3,-2.3 4,-2.5 -7,-0.2 5,-0.3 0.238 74.0 114.5-104.1 10.1 39.9 21.6 39.0 129 160 A T H <> S+ 0 0 56 -3,-1.7 4,-2.4 1,-0.2 -1,-0.1 0.844 73.4 52.8 -49.3 -42.1 36.3 21.2 37.9 130 161 A R H > S+ 0 0 172 -3,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.935 113.5 39.1 -65.2 -50.7 35.8 17.8 39.6 131 162 A E H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.887 115.2 54.1 -67.5 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4,-3.2 3,-1.3 -2,-0.4 4,-0.6 -0.915 77.4 -32.2-110.5 102.5 38.0 33.4 26.6 373 126 B E T 34 S- 0 0 172 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.810 106.8 -70.0 58.0 39.0 41.3 32.4 28.2 374 127 B E T 34 S+ 0 0 91 2,-0.2 -296,-0.4 1,-0.1 -1,-0.3 0.775 128.7 80.2 52.2 31.8 40.0 32.5 31.8 375 128 B A T <4 S+ 0 0 28 -3,-1.3 -300,-0.3 1,-0.4 2,-0.3 0.508 88.9 23.8-141.7 -10.7 39.8 36.3 31.5 376 129 B E E < -J 372 0F 49 -4,-0.6 -4,-3.2 -300,-0.1 -1,-0.4 -0.983 63.2-126.8-159.4 145.0 36.7 37.4 29.6 377 130 B F E -J 371 0F 14 -2,-0.3 -6,-0.2 -6,-0.2 -11,-0.0 -0.752 31.1-117.4 -94.4 143.0 33.2 36.2 28.8 378 131 B D - 0 0 4 -8,-2.9 -8,-0.4 -2,-0.3 3,-0.1 -0.686 24.6-160.3 -74.6 124.1 32.1 36.2 25.2 379 132 B P + 0 0 6 0, 0.0 2,-2.1 0, 0.0 3,-0.3 0.633 63.3 99.0 -83.9 -10.5 29.1 38.6 25.1 380 133 B H > + 0 0 0 1,-0.2 3,-1.5 2,-0.1 71,-0.3 -0.127 36.4 139.7 -75.7 48.6 27.4 37.4 21.9 381 134 B V G > + 0 0 0 -2,-2.1 3,-1.4 1,-0.3 7,-0.4 0.646 52.3 79.5 -66.4 -17.6 24.8 35.3 23.6 382 135 B W G 3 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.586 80.1 69.6 -68.9 -10.7 22.1 36.3 21.1 383 136 B F G < S+ 0 0 5 -3,-1.5 2,-0.5 1,-0.2 -1,-0.3 0.286 88.6 64.0 -90.5 5.5 23.3 33.8 18.5 384 137 B D S <> S- 0 0 18 -3,-1.4 4,-2.7 1,-0.1 3,-0.4 -0.926 76.9-160.6-121.7 99.3 22.2 30.8 20.6 385 138 B V H > S+ 0 0 1 -2,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.857 88.0 52.2 -52.7 -39.9 18.5 31.3 20.5 386 139 B K H 4 S+ 0 0 139 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.900 112.4 45.7 -62.9 -42.9 17.9 29.0 23.5 387 140 B L H >> S+ 0 0 2 -3,-0.4 3,-1.9 1,-0.2 4,-0.6 0.902 106.2 59.3 -67.1 -40.7 20.5 30.9 25.5 388 141 B W H 3X S+ 0 0 2 -4,-2.7 4,-2.4 -7,-0.4 3,-0.3 0.756 87.7 76.4 -61.5 -22.3 19.1 34.3 24.4 389 142 B S H 3X S+ 0 0 22 -4,-1.0 4,-2.1 -3,-0.4 -1,-0.3 0.788 88.8 58.5 -61.4 -25.0 15.7 33.3 26.0 390 143 B Y H <> S+ 0 0 82 -3,-1.9 4,-2.1 -4,-0.3 -1,-0.2 0.949 107.8 45.1 -66.5 -46.6 17.3 34.0 29.4 391 144 B S H X S+ 0 0 0 -4,-0.6 4,-1.8 -3,-0.3 -2,-0.2 0.900 112.8 50.1 -63.4 -40.9 18.0 37.6 28.3 392 145 B V H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 109.3 52.3 -65.1 -38.9 14.5 37.9 26.8 393 146 B K H X S+ 0 0 68 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.896 107.5 52.3 -65.0 -37.5 13.1 36.6 30.1 394 147 B A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.873 108.8 50.0 -65.4 -38.2 15.1 39.3 32.0 395 148 B V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.955 113.2 46.8 -63.1 -49.0 13.6 42.0 29.7 396 149 B Y H X S+ 0 0 34 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.944 114.9 45.4 -56.4 -51.8 10.1 40.7 30.4 397 150 B E H X S+ 0 0 17 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.836 111.4 52.2 -64.5 -34.4 10.7 40.4 34.2 398 151 B S H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.891 108.4 51.8 -68.3 -38.9 12.3 43.9 34.4 399 152 B L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.880 106.8 53.6 -65.7 -36.2 9.2 45.3 32.5 400 153 B C H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.828 107.9 50.3 -67.5 -31.3 6.9 43.7 35.1 401 154 B K H < S+ 0 0 40 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.3 48.3 -71.2 -37.0 8.9 45.3 37.9 402 155 B L H < S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.910 130.9 16.8 -68.7 -44.5 8.5 48.7 36.1 403 156 B L >< + 0 0 41 -4,-2.6 3,-2.4 1,-0.1 -1,-0.3 -0.637 65.5 171.0-132.5 77.1 4.7 48.3 35.5 404 157 B P G > S+ 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.813 78.7 65.5 -55.7 -31.7 3.3 45.6 37.8 405 158 B G G 3 S+ 0 0 77 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.655 100.4 51.5 -65.9 -15.7 -0.2 46.6 36.8 406 159 B K G <> S+ 0 0 67 -3,-2.4 4,-2.6 -7,-0.2 5,-0.3 0.249 73.9 114.9-104.6 11.5 0.6 45.4 33.2 407 160 B T H <> S+ 0 0 56 -3,-1.7 4,-2.3 1,-0.2 -1,-0.1 0.839 73.2 52.4 -50.4 -42.5 1.9 41.9 34.3 408 161 B R H > S+ 0 0 171 -3,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.936 113.8 39.2 -64.4 -51.5 -0.9 40.0 32.5 409 162 B E H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.892 115.0 54.2 -66.5 -38.1 -0.5 41.6 29.1 410 163 B F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.920 109.9 48.9 -59.5 -41.4 3.3 41.6 29.4 411 164 B T H X S+ 0 0 30 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.892 110.7 48.9 -65.8 -40.5 3.0 37.8 30.1 412 165 B Q H X S+ 0 0 121 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 115.9 43.4 -64.5 -45.6 0.7 37.1 27.2 413 166 B R H X S+ 0 0 66 -4,-2.7 4,-2.7 -116,-0.2 -2,-0.2 0.892 113.7 51.5 -67.6 -41.0 3.0 39.1 24.8 414 167 B Y H X S+ 0 0 34 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.916 109.0 49.9 -62.8 -45.1 6.1 37.5 26.3 415 168 B Q H X S+ 0 0 105 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.897 112.3 48.0 -62.8 -37.8 4.8 33.9 25.9 416 169 B A H X S+ 0 0 50 -4,-1.8 4,-1.6 2,-0.2 3,-0.3 0.949 113.3 47.7 -66.5 -47.0 3.9 34.6 22.3 417 170 B Y H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.889 109.3 53.4 -60.4 -41.4 7.3 36.1 21.6 418 171 B Q H X S+ 0 0 26 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.836 104.9 55.4 -65.1 -31.1 9.1 33.2 23.3 419 172 B Q H X S+ 0 0 111 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.874 105.9 51.7 -67.9 -38.1 7.1 30.8 21.0 420 173 B Q H X S+ 0 0 88 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.901 109.8 49.6 -62.4 -42.8 8.5 32.7 18.0 421 174 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.883 107.7 53.6 -64.3 -38.2 12.0 32.3 19.4 422 175 B D H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.946 111.5 45.9 -61.2 -45.3 11.4 28.5 20.0 423 176 B K H X S+ 0 0 149 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 111.0 53.1 -64.4 -38.1 10.4 28.2 16.3 424 177 B L H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.945 108.1 50.4 -62.8 -45.9 13.4 30.3 15.3 425 178 B D H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.924 112.2 46.6 -56.9 -49.3 15.8 28.0 17.2 426 179 B A H X S+ 0 0 42 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.888 112.9 50.8 -60.9 -41.0 14.3 24.9 15.6 427 180 B Y H X S+ 0 0 59 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.929 109.4 48.3 -63.7 -49.5 14.5 26.6 12.1 428 181 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.900 111.5 52.0 -58.5 -41.7 18.2 27.6 12.5 429 182 B R H X S+ 0 0 88 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.890 110.4 46.9 -64.2 -39.9 19.0 24.1 13.6 430 183 B R H X S+ 0 0 155 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.913 113.0 48.9 -66.5 -46.7 17.3 22.5 10.6 431 184 B K H < S+ 0 0 66 -4,-2.5 -2,-0.2 2,-0.2 4,-0.2 0.885 112.3 49.3 -60.1 -39.1 19.0 24.9 8.2 432 185 B A H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.928 110.0 50.3 -65.7 -46.4 22.3 24.1 9.8 433 186 B Q H 3< S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.692 98.5 67.6 -66.1 -18.4 21.7 20.4 9.6 434 187 B S T 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.568 89.9 80.4 -77.7 -9.0 20.9 20.8 5.9 435 188 B L S < S- 0 0 2 -3,-1.7 5,-0.1 -4,-0.2 119,-0.1 -0.840 97.0-105.1-101.7 132.5 24.5 21.7 5.4 436 189 B P >> - 0 0 59 0, 0.0 3,-2.8 0, 0.0 4,-0.7 -0.367 31.5-118.6 -55.5 132.4 27.1 18.9 5.2 437 190 B A G >4 S+ 0 0 66 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.767 114.0 54.6 -44.3 -34.9 29.1 18.8 8.4 438 191 B E G 34 S+ 0 0 158 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.658 103.7 54.6 -74.8 -23.7 32.3 19.5 6.5 439 192 B R G <4 S+ 0 0 82 -3,-2.8 2,-1.9 1,-0.1 -1,-0.2 0.492 79.4 99.1 -88.1 -3.8 30.9 22.7 5.0 440 193 B R << + 0 0 33 -3,-0.7 19,-2.6 -4,-0.7 2,-0.5 -0.361 47.8 124.5 -82.0 57.6 29.9 24.2 8.4 441 194 B V E -k 459 0G 4 -2,-1.9 2,-0.6 17,-0.2 19,-0.2 -0.970 41.7-166.5-121.6 113.3 33.0 26.4 8.6 442 195 B L E -k 460 0G 0 17,-3.1 19,-2.2 -2,-0.5 2,-0.5 -0.884 9.5-179.3-109.1 111.5 32.1 30.1 9.2 443 196 B V E +k 461 0G 0 -2,-0.6 50,-2.6 48,-0.4 19,-0.2 -0.940 18.5 164.8-110.7 125.2 34.7 32.9 8.7 444 197 B T E -k 462 0G 2 17,-2.2 19,-2.0 -2,-0.5 50,-0.2 -0.706 52.5 -85.2-131.6 179.2 33.5 36.5 9.4 445 198 B A E S+ 0 0 4 48,-0.3 19,-2.2 17,-0.2 2,-0.3 0.821 109.5 1.9 -57.0 -40.0 34.6 40.1 10.1 446 199 B H E S-k 464 0G 0 17,-0.2 2,-2.4 16,-0.2 3,-0.3 -0.969 86.9 -90.2-147.0 163.7 34.9 39.4 13.8 447 200 B D S S+ 0 0 49 18,-1.2 3,-0.3 17,-1.1 15,-0.1 -0.396 74.2 127.7 -74.8 68.7 34.6 36.5 16.3 448 201 B A + 0 0 0 -2,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.455 54.7 69.6-103.5 -2.8 30.9 37.1 17.1 449 202 B F > + 0 0 1 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.040 54.3 116.4-109.5 28.1 29.6 33.6 16.4 450 203 B G H > S+ 0 0 12 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.861 84.6 43.3 -61.9 -38.0 31.0 31.5 19.3 451 204 B Y H > S+ 0 0 0 -71,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.854 113.0 52.9 -75.7 -33.1 27.6 30.8 20.7 452 205 B F H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 6,-0.3 0.897 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