==== 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 METAL TRANSPORT 06-FEB-07 2OSV . COMPND 2 MOLECULE: HIGH-AFFINITY ZINC UPTAKE SYSTEM PROTEIN ZNUA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.LI,G.JOGL . 525 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 4 1 1 0 2 0 2 0 0 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 9 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 45 A A 0 0 18 0, 0.0 49,-2.7 0, 0.0 50,-1.2 0.000 360.0 360.0 360.0 158.2 52.0 41.6 27.0 2 46 A V E -ab 23 51A 0 20,-2.9 22,-3.2 48,-0.2 2,-0.6 -0.870 360.0-153.3 -86.0 128.7 51.3 41.8 23.3 3 47 A V E -ab 24 52A 0 48,-2.9 50,-2.6 -2,-0.5 2,-0.3 -0.931 10.1-167.1-111.5 117.0 50.3 38.3 22.2 4 48 A A E -ab 25 53A 0 20,-3.4 22,-2.8 -2,-0.6 23,-0.2 -0.802 19.8-141.5-104.0 144.6 51.0 37.5 18.6 5 49 A S S S+ 0 0 0 48,-2.2 22,-2.5 -2,-0.3 2,-0.3 0.944 85.0 25.8 -65.7 -49.0 49.5 34.4 16.8 6 50 A L S >> S- 0 0 0 47,-0.2 4,-2.3 20,-0.2 3,-0.7 -0.862 84.7-111.1-123.3 151.5 52.6 33.5 14.7 7 51 A K H 3> S+ 0 0 27 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.863 115.0 49.4 -54.1 -47.5 56.3 34.1 15.3 8 52 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.842 109.4 52.3 -64.7 -30.3 56.9 36.7 12.5 9 53 A V H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.912 108.9 52.4 -61.1 -43.4 53.8 38.6 13.6 10 54 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.875 103.5 57.8 -55.9 -39.2 55.6 38.5 17.1 11 55 A F H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 235,-0.5 0.939 109.2 43.6 -59.5 -47.0 58.7 39.9 15.3 12 56 A I H >X S+ 0 0 2 -4,-1.7 4,-1.3 2,-0.2 3,-0.6 0.949 114.8 49.0 -62.5 -48.1 56.8 43.0 14.2 13 57 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.4 0.904 107.7 55.5 -58.0 -41.7 55.0 43.4 17.5 14 58 A S H 3X S+ 0 0 7 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.765 101.6 57.3 -70.1 -22.1 58.4 43.2 19.3 15 59 A A H << S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.892 116.6 34.9 -64.1 -42.4 59.8 46.0 17.2 16 60 A I H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.4 114,-0.2 0.830 119.9 47.2 -85.9 -35.5 57.0 48.3 18.4 17 61 A A H >X S+ 0 0 0 -4,-2.8 3,-2.7 -5,-0.2 4,-2.2 0.442 77.6 135.4 -86.9 -3.1 56.6 47.0 22.0 18 62 A D T 3< S- 0 0 59 -4,-0.6 112,-0.1 1,-0.3 4,-0.1 -0.267 83.9 -0.5 -54.9 123.1 60.4 47.0 22.8 19 63 A G T 34 S+ 0 0 71 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.617 127.6 73.9 69.4 13.9 60.9 48.5 26.3 20 64 A V T <4 S- 0 0 26 -3,-2.7 2,-0.3 1,-0.5 -2,-0.2 0.674 110.0 -23.1-116.9 -56.7 57.2 49.0 26.6 21 65 A T S < S- 0 0 21 -4,-2.2 -1,-0.5 -7,-0.1 -2,-0.1 -0.968 72.6 -89.6-154.6 161.6 55.7 45.6 27.2 22 66 A E - 0 0 136 -2,-0.3 -20,-2.9 -3,-0.1 2,-0.4 -0.357 32.3-135.7 -71.6 156.4 56.7 41.9 26.5 23 67 A T E -a 2 0A 22 -22,-0.2 2,-0.4 -2,-0.1 -20,-0.2 -0.968 19.5-169.8-113.1 132.1 55.7 40.1 23.3 24 68 A E E -a 3 0A 63 -22,-3.2 -20,-3.4 -2,-0.4 2,-0.5 -0.914 9.9-148.6-118.7 145.4 54.4 36.5 23.5 25 69 A V E -a 4 0A 26 -2,-0.4 -20,-0.2 -22,-0.2 -19,-0.1 -0.966 3.9-163.4-117.6 130.9 53.9 34.2 20.6 26 70 A L S S+ 0 0 2 -22,-2.8 -20,-0.2 -2,-0.5 -21,-0.2 0.936 73.1 70.9 -76.7 -50.2 51.1 31.5 20.6 27 71 A L S S- 0 0 6 -22,-2.5 -20,-0.2 -23,-0.2 3,-0.1 -0.610 86.6-131.4 -72.6 115.7 52.1 29.1 17.8 28 72 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 -21,-0.1 -0.285 30.6 -82.5 -68.9 155.7 55.2 27.2 19.1 29 73 A D T 3 S+ 0 0 102 1,-0.2 3,-0.1 208,-0.1 207,-0.0 -0.341 119.0 25.3 -52.9 128.2 58.5 26.8 17.2 30 74 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.095 96.7 112.2 98.8 -18.5 58.1 23.8 14.8 31 75 A A < - 0 0 6 -3,-2.0 -1,-0.4 1,-0.0 2,-0.3 -0.525 63.8-124.9 -82.8 153.2 54.3 24.1 14.5 32 76 A S > - 0 0 5 3,-0.5 3,-2.0 -2,-0.2 -1,-0.0 -0.791 11.4-129.9 -99.4 144.0 52.6 25.1 11.3 33 77 A E T 3 S+ 0 0 4 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.678 111.3 57.3 -56.6 -16.7 50.1 28.0 10.8 34 78 A H T 3 S+ 0 0 52 1,-0.2 -1,-0.3 26,-0.1 2,-0.1 0.395 108.7 43.4 -96.2 2.7 47.9 25.3 9.1 35 79 A D S < S+ 0 0 4 -3,-2.0 -3,-0.5 269,-0.1 2,-0.3 -0.565 77.7 117.4-156.7 75.4 47.8 22.9 11.9 36 80 A Y - 0 0 9 -3,-0.2 2,-0.4 -2,-0.1 26,-0.1 -0.990 32.9-168.6-145.8 154.2 47.2 24.1 15.4 37 81 A S - 0 0 33 -2,-0.3 264,-0.3 264,-0.3 26,-0.1 -0.971 39.8-108.8-138.2 126.3 44.7 24.0 18.3 38 82 A L - 0 0 18 24,-0.4 262,-0.1 -2,-0.4 -11,-0.0 -0.305 30.7-136.9 -58.8 131.0 45.1 26.4 21.3 39 83 A R >> - 0 0 31 260,-0.1 4,-2.4 1,-0.1 3,-0.6 -0.469 29.6-100.8 -80.2 157.1 46.4 24.7 24.4 40 84 A P H 3> S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.906 126.5 48.1 -45.3 -44.8 44.8 25.6 27.8 41 85 A S H 3> S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.806 107.4 55.2 -69.6 -32.1 47.8 28.0 28.5 42 86 A D H <> S+ 0 0 4 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.906 106.9 51.5 -60.9 -45.4 47.5 29.6 25.1 43 87 A V H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.909 109.9 49.9 -59.1 -41.9 43.9 30.4 25.9 44 88 A K H X S+ 0 0 128 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.1 50.3 -61.5 -44.5 45.0 32.0 29.2 45 89 A R H < S+ 0 0 74 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.924 112.3 48.3 -61.9 -40.7 47.7 34.1 27.5 46 90 A L H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.948 110.0 50.3 -65.3 -48.7 45.2 35.4 24.9 47 91 A Q H 3< S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 116.0 43.3 -59.2 -34.0 42.5 36.2 27.6 48 92 A N T 3< S+ 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.345 87.4 126.7 -94.3 4.0 45.1 38.2 29.6 49 93 A A < - 0 0 7 -3,-1.4 -47,-0.2 -4,-0.4 3,-0.2 -0.294 55.1-149.8 -63.0 141.8 46.7 40.0 26.6 50 94 A D S S- 0 0 52 -49,-2.7 2,-0.3 1,-0.3 -48,-0.2 0.832 91.6 -0.5 -68.3 -36.2 47.1 43.8 26.6 51 95 A L E -b 2 0A 0 -50,-1.2 -48,-2.9 2,-0.0 2,-0.4 -0.972 68.0-149.1-153.9 137.8 46.8 43.5 22.8 52 96 A V E -bc 3 75A 0 22,-2.6 24,-2.6 -2,-0.3 2,-0.4 -0.939 12.4-168.0-112.2 135.1 46.4 40.5 20.5 53 97 A V E +bc 4 76A 0 -50,-2.6 -48,-2.2 -2,-0.4 2,-0.3 -0.987 21.5 145.1-124.4 124.4 47.8 40.6 16.9 54 98 A W E - c 0 77A 9 22,-2.2 24,-2.6 -2,-0.4 25,-0.2 -0.952 53.5-115.6-149.6 166.6 46.9 38.0 14.3 55 99 A V - 0 0 0 -2,-0.3 24,-2.9 1,-0.2 25,-0.3 0.968 66.8-106.8 -71.0 -55.7 46.3 37.8 10.5 56 100 A G >> - 0 0 0 22,-0.2 3,-2.4 23,-0.1 4,-0.9 -0.867 38.9 -50.0 148.3-179.8 42.7 36.9 10.7 57 101 A P T 34 S+ 0 0 35 0, 0.0 4,-0.2 0, 0.0 7,-0.1 0.664 123.8 57.9 -61.1 -22.7 39.9 34.3 10.4 58 102 A E T 34 S+ 0 0 125 2,-0.1 38,-0.2 -3,-0.1 3,-0.0 0.460 120.7 28.0 -86.5 -1.8 41.0 33.1 6.9 59 103 A M T <4 S+ 0 0 23 -3,-2.4 2,-1.7 37,-0.0 3,-0.2 0.592 129.9 25.5-116.9 -84.3 44.5 32.3 8.3 60 104 A E >< + 0 0 0 -4,-0.9 3,-2.3 1,-0.2 4,-0.4 -0.429 63.8 160.5 -87.1 64.5 44.5 31.3 12.1 61 105 A A G > + 0 0 61 -2,-1.7 3,-1.5 1,-0.3 4,-0.5 0.830 63.6 78.2 -53.9 -30.4 40.9 30.1 12.3 62 106 A F G 3 S+ 0 0 46 1,-0.3 -24,-0.4 -3,-0.2 -1,-0.3 0.612 102.8 35.8 -55.2 -13.4 42.0 28.2 15.5 63 107 A M G <> S+ 0 0 0 -3,-2.3 4,-2.3 -7,-0.1 -1,-0.3 0.411 82.8 102.5-121.0 -0.6 41.8 31.6 17.4 64 108 A Q H <> S+ 0 0 103 -3,-1.5 4,-2.4 -4,-0.4 -2,-0.1 0.907 84.1 50.2 -51.4 -48.2 38.8 33.4 15.8 65 109 A K H > S+ 0 0 151 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.965 113.2 41.0 -61.6 -57.5 36.5 32.7 18.8 66 110 A P H >4 S+ 0 0 28 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.874 114.3 54.0 -61.2 -34.2 38.7 33.8 21.7 67 111 A V H >< S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.924 101.7 59.1 -62.4 -43.4 39.9 36.8 19.8 68 112 A S H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.696 97.2 63.2 -56.7 -20.6 36.2 37.8 19.2 69 113 A K T << S+ 0 0 127 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.687 88.8 87.9 -76.5 -22.1 35.8 37.9 23.0 70 114 A L S < S- 0 0 25 -3,-1.9 5,-0.1 -4,-0.4 -23,-0.0 -0.435 89.7 -98.6 -78.1 153.2 38.3 40.8 23.4 71 115 A P > - 0 0 76 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.364 33.1-117.2 -59.3 148.8 37.5 44.5 23.2 72 116 A G G > S+ 0 0 47 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.859 115.7 63.8 -54.6 -36.4 38.3 46.0 19.7 73 117 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 -22,-0.0 46,-0.1 0.628 101.4 52.1 -63.1 -15.7 40.8 48.2 21.4 74 118 A K G < S+ 0 0 51 -3,-1.9 -22,-2.6 -23,-0.1 2,-0.4 0.145 101.3 72.4-110.6 17.8 42.8 45.1 22.3 75 119 A Q E < -c 52 0A 39 -3,-1.7 2,-0.5 -24,-0.2 -22,-0.2 -0.993 48.4-169.4-134.6 145.9 43.0 43.5 18.9 76 120 A V E -c 53 0A 1 -24,-2.6 -22,-2.2 -2,-0.4 2,-0.8 -0.985 9.4-171.1-121.9 113.5 44.8 44.1 15.6 77 121 A T E > -c 54 0A 14 -2,-0.5 3,-1.8 -24,-0.2 4,-0.5 -0.891 9.7-162.4-104.9 96.2 43.4 41.8 12.8 78 122 A I G > S+ 0 0 4 -24,-2.6 3,-1.6 -2,-0.8 6,-0.2 0.854 82.4 53.8 -52.8 -48.1 45.9 42.4 10.1 79 123 A A G 3 S+ 0 0 12 -24,-2.9 -1,-0.3 1,-0.3 -23,-0.1 0.655 110.4 49.1 -65.1 -16.3 43.9 41.2 7.1 80 124 A Q G < S+ 0 0 106 -3,-1.8 -1,-0.3 -25,-0.3 -2,-0.2 0.388 80.3 120.7-105.1 1.4 41.0 43.6 8.0 81 125 A L X> - 0 0 34 -3,-1.6 4,-2.3 -4,-0.5 3,-1.2 -0.449 67.9-131.6 -65.6 136.4 43.1 46.7 8.5 82 126 A E T 34 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.2 25,-0.0 0.855 109.9 52.2 -57.0 -38.8 42.0 49.5 6.1 83 127 A D T 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.731 112.9 45.7 -66.3 -22.6 45.6 50.0 5.1 84 128 A V T X> S+ 0 0 0 -3,-1.2 3,-2.2 -6,-0.2 4,-0.7 0.856 92.5 74.0 -94.9 -39.1 46.0 46.2 4.3 85 129 A K G >< S+ 0 0 101 -4,-2.3 3,-1.1 1,-0.3 -2,-0.1 0.851 97.7 49.5 -44.1 -47.2 42.9 45.4 2.3 86 130 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.665 109.2 54.3 -68.1 -17.4 44.3 47.2 -0.9 87 131 A L G <4 S+ 0 0 65 -3,-2.2 -2,-0.2 -4,-0.2 17,-0.1 0.460 80.3 115.3 -92.9 -8.0 47.6 45.3 -0.5 88 132 A L << - 0 0 27 -3,-1.1 2,-0.4 -4,-0.7 8,-0.1 -0.419 55.7-147.1 -67.1 138.5 46.0 41.8 -0.5 89 133 A M - 0 0 51 6,-0.4 6,-2.7 -2,-0.1 77,-0.1 -0.887 19.2-108.0-110.2 139.6 47.0 39.7 -3.5 90 134 A K B D 94 0B 172 -2,-0.4 4,-0.3 4,-0.2 -1,-0.0 -0.341 360.0 360.0 -65.2 143.0 44.7 37.1 -5.1 91 135 A S 0 0 95 2,-2.5 3,-0.1 -2,-0.0 -1,-0.1 0.876 360.0 360.0 -73.9 360.0 45.6 33.4 -4.5 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 157 A D 0 0 146 0, 0.0 -2,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 120.6 40.1 34.6 -2.3 94 158 A F B -D 90 0B 79 -4,-0.3 2,-0.4 -3,-0.1 -4,-0.2 -0.702 360.0-104.3-110.2 149.9 43.3 36.1 -1.1 95 159 A N - 0 0 11 -6,-2.7 -6,-0.4 -2,-0.3 68,-0.1 -0.576 30.0-166.3 -63.3 122.4 46.7 34.9 -0.1 96 160 A M + 0 0 10 -2,-0.4 2,-2.1 -38,-0.2 3,-0.3 0.267 57.3 107.5-101.0 11.9 46.8 35.2 3.7 97 161 A H > + 0 0 12 1,-0.2 3,-1.2 65,-0.1 69,-0.3 -0.374 41.7 152.0 -84.7 63.8 50.6 34.8 4.3 98 162 A L G > + 0 0 1 -2,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.651 48.7 74.9 -75.8 -21.0 50.7 38.5 5.1 99 163 A W G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.549 89.0 62.9 -73.5 -8.0 53.7 38.6 7.4 100 164 A L G < S+ 0 0 0 -3,-1.2 -1,-0.3 63,-0.1 -2,-0.2 0.301 84.0 90.1 -96.4 8.3 56.1 38.2 4.4 101 165 A S <> - 0 0 10 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 -0.912 62.9-159.2-101.6 111.2 54.9 41.5 2.9 102 166 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.894 94.6 52.6 -51.5 -43.1 57.1 44.4 4.1 103 167 A E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.901 111.2 45.3 -64.2 -40.3 54.3 46.9 3.2 104 168 A I H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 108.8 57.2 -67.3 -35.4 51.8 44.9 5.2 105 169 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.898 106.7 50.2 -60.0 -39.4 54.4 44.7 8.0 106 170 A R H X S+ 0 0 39 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 110.6 47.8 -60.8 -47.7 54.5 48.5 8.0 107 171 A A H X S+ 0 0 9 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.865 113.0 50.1 -61.5 -38.6 50.7 48.7 8.2 108 172 A T H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.923 110.1 48.8 -65.6 -46.7 50.7 46.2 11.0 109 173 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.901 110.9 51.0 -60.5 -42.9 53.4 48.2 12.9 110 174 A V H X S+ 0 0 58 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.906 111.7 47.3 -59.1 -43.4 51.4 51.4 12.5 111 175 A A H X S+ 0 0 20 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.893 112.7 48.4 -69.2 -40.3 48.2 49.7 13.8 112 176 A I H X S+ 0 0 0 -4,-2.5 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1,-0.3 -1,-0.1 -210,-0.1 -209,-0.1 0.808 69.6 50.0 -48.7 -45.8 62.7 15.1 25.9 503 302 B N T 3 S+ 0 0 99 2,-0.1 2,-0.3 -210,-0.0 -1,-0.3 0.627 90.4 96.6 -76.4 -13.3 66.3 14.9 24.7 504 303 B I S < S- 0 0 11 -3,-1.8 2,-0.3 1,-0.0 3,-0.1 -0.594 70.3-135.1 -83.2 134.3 66.2 11.1 24.2 505 304 B K - 0 0 177 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.629 27.9 -98.6 -85.7 146.7 65.5 9.8 20.7 506 305 B L + 0 0 64 -2,-0.3 2,-0.3 -219,-0.1 -1,-0.1 -0.236 68.2 110.2 -53.4 148.4 63.1 6.9 20.0 507 306 B G S > S- 0 0 21 -232,-0.2 3,-1.9 -233,-0.2 4,-0.4 -0.896 76.7 -60.1 158.3 178.6 64.7 3.5 19.6 508 307 B K T 3 S+ 0 0 70 1,-0.3 3,-0.3 -2,-0.3 4,-0.2 0.839 130.3 27.7 -53.6 -43.3 65.3 0.1 20.9 509 308 B T T 3> S+ 0 0 67 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.227 89.1 109.1-103.0 13.3 67.1 1.1 24.1 510 309 B S H <> S+ 0 0 2 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.851 75.9 51.2 -63.5 -37.9 65.4 4.5 24.6 511 310 B Y H > S+ 0 0 1 -236,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.929 112.3 46.2 -68.3 -44.4 63.2 3.5 27.6 512 311 B S H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 112.3 52.0 -58.8 -43.4 66.2 2.1 29.5 513 312 B E H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.893 108.4 52.7 -58.5 -39.9 68.1 5.3 28.5 514 313 B F H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.938 109.6 45.8 -63.8 -49.6 65.2 7.3 29.9 515 314 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 114.6 49.3 -60.7 -41.0 65.2 5.6 33.3 516 315 B S H X S+ 0 0 32 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 111.1 49.7 -64.4 -41.1 69.0 5.9 33.5 517 316 B Q H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.939 110.6 48.6 -63.9 -49.2 68.9 9.6 32.6 518 317 B L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.933 111.3 51.2 -56.0 -45.1 66.2 10.3 35.3 519 318 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.929 110.0 49.2 -57.3 -45.8 68.3 8.4 37.8 520 319 B N H X S+ 0 0 76 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.857 107.3 56.0 -63.5 -35.0 71.4 10.5 36.8 521 320 B Q H X S+ 0 0 42 -4,-2.5 4,-0.9 2,-0.2 -25,-0.3 0.932 111.9 41.8 -62.6 -45.8 69.3 13.7 37.2 522 321 B Y H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.7 0.957 117.6 47.0 -59.5 -53.6 68.4 12.8 40.8 523 322 B A H 3X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.855 102.8 63.0 -61.3 -39.9 72.0 11.6 41.6 524 323 B S H 3< S+ 0 0 104 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.847 117.6 28.7 -54.2 -38.5 73.6 14.7 40.1 525 324 B b H << S+ 0 0 8 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.870 126.2 42.2 -89.2 -43.6 71.9 16.9 42.7 526 325 B L H < S+ 0 0 0 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.781 97.4 72.2 -79.1 -31.4 71.5 14.5 45.7 527 326 B K < 0 0 144 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.1 0.873 360.0 360.0 -55.9 -47.2 74.9 12.7 45.8 528 327 B G 0 0 90 -5,-0.3 -2,-0.1 -4,-0.3 -1,-0.1 0.422 360.0 360.0 5.0 360.0 77.1 15.6 47.0