==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-JAN-07 2OGW . COMPND 2 MOLECULE: HIGH-AFFINITY ZINC UPTAKE SYSTEM PROTEIN ZNUA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.SHARMA,M.YOGAVEL . 520 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.0 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 . 1 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 0 4 1 2 1 1 0 1 1 0 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 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 27 A A 0 0 17 0, 0.0 49,-2.4 0, 0.0 50,-1.3 0.000 360.0 360.0 360.0 155.6 38.9 91.8 19.6 2 28 A V E -ab 23 51A 0 20,-2.6 22,-3.1 48,-0.2 2,-0.6 -0.867 360.0-150.3 -87.6 127.4 39.8 88.1 19.8 3 29 A V E -ab 24 52A 0 48,-2.8 50,-2.5 -2,-0.6 2,-0.3 -0.920 11.6-164.8-105.4 118.5 40.8 87.1 16.3 4 30 A A E -ab 25 53A 0 20,-3.5 22,-3.2 -2,-0.6 23,-0.2 -0.797 18.9-141.7-104.3 143.8 40.1 83.5 15.4 5 31 A S S S+ 0 0 0 48,-2.1 22,-2.5 -2,-0.3 2,-0.3 0.947 85.3 23.8 -64.6 -46.6 41.6 81.7 12.4 6 32 A L S >> S- 0 0 0 47,-0.2 4,-2.1 20,-0.2 3,-0.6 -0.855 84.2-110.2-131.4 152.9 38.5 79.7 11.4 7 33 A K H 3> S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.867 114.9 49.0 -55.4 -48.7 34.8 80.2 12.1 8 34 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.842 109.5 52.6 -62.9 -31.3 34.3 77.3 14.6 9 35 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.903 108.4 52.9 -61.7 -39.8 37.3 78.5 16.6 10 36 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.869 103.6 58.1 -60.2 -40.3 35.5 81.9 16.5 11 37 A F H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 234,-0.5 0.950 108.7 42.6 -55.5 -52.1 32.5 80.1 17.9 12 38 A I H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-0.9 0.960 115.8 49.4 -58.2 -50.6 34.4 78.9 20.9 13 39 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.881 107.2 55.6 -55.9 -41.2 36.0 82.3 21.4 14 40 A S H 3X S+ 0 0 6 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.739 102.2 55.8 -71.8 -21.3 32.7 84.1 21.1 15 41 A A H << S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.910 116.7 37.2 -65.6 -44.4 31.2 82.0 24.0 16 42 A I H < S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.2 113,-0.2 0.831 119.8 44.7 -79.1 -38.7 34.0 83.2 26.2 17 43 A A H >X S+ 0 0 1 -4,-2.9 3,-3.1 -5,-0.2 4,-1.9 0.516 78.8 136.3 -86.1 -4.2 34.5 86.8 25.0 18 44 A D T 3< S- 0 0 59 -4,-0.6 111,-0.1 1,-0.3 4,-0.1 -0.173 83.8 -0.8 -52.6 123.2 30.7 87.6 25.0 19 45 A G T 34 S+ 0 0 69 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.536 127.3 75.3 70.3 11.1 30.0 91.0 26.5 20 46 A V T <4 S- 0 0 28 -3,-3.1 2,-0.3 1,-0.5 -2,-0.2 0.761 109.8 -25.9-111.9 -58.6 33.8 91.3 27.1 21 47 A T S < S- 0 0 22 -4,-1.9 -1,-0.5 -7,-0.1 -2,-0.2 -0.942 73.1 -87.1-151.1 168.5 35.3 92.0 23.7 22 48 A E - 0 0 131 -2,-0.3 -20,-2.6 -3,-0.1 2,-0.4 -0.328 32.0-139.0 -74.2 160.9 34.4 91.4 20.0 23 49 A T E -a 2 0A 25 -22,-0.2 2,-0.3 -20,-0.0 -20,-0.2 -0.998 18.2-172.4-120.4 131.7 35.3 88.2 18.1 24 50 A E E -a 3 0A 62 -22,-3.1 -20,-3.5 -2,-0.4 2,-0.4 -0.894 12.3-145.0-118.5 153.5 36.5 88.3 14.5 25 51 A V E -a 4 0A 21 -2,-0.3 -20,-0.2 -22,-0.2 -19,-0.1 -0.966 3.3-161.0-123.0 129.9 37.2 85.4 12.1 26 52 A L S S+ 0 0 0 -22,-3.2 -20,-0.2 -2,-0.4 -21,-0.2 0.959 73.2 70.0 -74.1 -53.0 40.0 85.4 9.6 27 53 A L S S- 0 0 5 -22,-2.5 -20,-0.2 -23,-0.2 3,-0.1 -0.537 84.6-132.2 -69.3 117.2 38.9 82.7 7.1 28 54 A P > - 0 0 46 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.333 29.9 -88.4 -68.2 156.0 35.9 84.0 5.2 29 55 A D T 3 S+ 0 0 85 1,-0.2 3,-0.1 207,-0.1 206,-0.0 -0.381 116.4 30.0 -60.2 139.6 32.8 81.9 4.7 30 56 A G T 3 S+ 0 0 49 1,-0.4 -1,-0.2 -3,-0.1 2,-0.1 0.002 101.3 104.8 92.5 -22.9 33.1 79.7 1.5 31 57 A A < - 0 0 18 -3,-1.8 -1,-0.4 2,-0.0 2,-0.4 -0.431 64.2-133.2 -85.8 163.4 36.9 79.5 1.9 32 58 A S B > -D 35 0B 7 3,-0.5 3,-2.4 -2,-0.1 -3,-0.0 -0.972 12.5-136.1-123.5 134.7 38.8 76.5 3.1 33 59 A E T 3 S+ 0 0 7 -2,-0.4 3,-0.3 1,-0.3 29,-0.2 0.590 107.9 61.7 -55.0 -15.8 41.7 76.2 5.7 34 60 A H T 3 S+ 0 0 47 1,-0.2 -1,-0.3 26,-0.1 149,-0.1 0.490 112.8 32.3 -89.6 -1.8 43.4 73.9 3.2 35 61 A D B < S+D 32 0B 14 -3,-2.4 -3,-0.5 267,-0.1 2,-0.3 -0.536 88.2 118.7-157.6 70.8 43.6 76.6 0.5 36 62 A Y - 0 0 22 -3,-0.3 2,-0.4 -5,-0.1 26,-0.1 -0.997 35.7-166.7-148.1 142.7 44.1 80.1 1.9 37 63 A S - 0 0 38 262,-0.3 262,-0.3 -2,-0.3 26,-0.1 -0.999 38.4-106.0-127.0 135.4 46.5 83.1 1.8 38 64 A L - 0 0 20 -2,-0.4 260,-0.1 24,-0.3 -11,-0.0 -0.333 29.7-135.5 -59.4 134.7 46.2 86.0 4.2 39 65 A R >> - 0 0 49 258,-0.1 4,-1.9 1,-0.1 3,-0.7 -0.522 27.9-108.3 -76.8 153.9 44.8 89.3 2.8 40 66 A P H 3> S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.937 124.9 51.6 -46.6 -43.7 46.6 92.5 3.7 41 67 A S H 3> S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.728 105.8 55.5 -67.7 -24.6 43.5 93.3 5.9 42 68 A D H <> S+ 0 0 0 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.848 106.0 51.0 -64.7 -43.7 43.8 89.8 7.6 43 69 A V H X S+ 0 0 44 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.822 107.8 55.2 -65.5 -31.5 47.4 90.7 8.5 44 70 A K H X S+ 0 0 121 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.940 104.4 50.4 -62.3 -56.4 46.2 94.0 10.1 45 71 A R H X S+ 0 0 78 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.841 108.6 54.9 -54.2 -36.5 43.6 92.3 12.4 46 72 A L H >< S+ 0 0 1 -4,-1.4 3,-0.6 2,-0.2 -1,-0.2 0.929 107.4 45.1 -68.6 -50.0 46.3 89.9 13.7 47 73 A Q H 3< S+ 0 0 104 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.5 43.2 -62.2 -35.7 48.9 92.5 14.8 48 74 A N H 3< S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.500 88.0 117.7 -88.3 -8.4 46.1 94.6 16.4 49 75 A A << - 0 0 8 -4,-0.9 3,-0.2 -3,-0.6 -47,-0.2 -0.295 60.0-145.7 -59.2 143.9 44.2 91.6 18.0 50 76 A D S S+ 0 0 52 -49,-2.4 2,-0.3 1,-0.3 -48,-0.2 0.830 91.7 3.5 -69.6 -36.3 43.9 91.5 21.9 51 77 A L E -b 2 0A 0 -50,-1.3 -48,-2.8 2,-0.0 2,-0.4 -0.974 68.7-150.9-151.8 134.3 44.2 87.7 21.5 52 78 A V E -bc 3 75A 1 22,-2.5 24,-2.7 -2,-0.3 2,-0.4 -0.949 12.9-168.9-104.6 135.1 44.7 85.4 18.5 53 79 A V E +bc 4 76A 0 -50,-2.5 -48,-2.1 -2,-0.4 2,-0.3 -0.962 20.8 142.7-125.0 125.8 43.3 81.9 18.6 54 80 A W E - c 0 77A 9 22,-2.2 24,-2.5 -2,-0.4 25,-0.2 -0.958 54.7-113.0-150.7 166.8 44.2 79.2 16.0 55 81 A V - 0 0 0 -2,-0.3 24,-2.7 1,-0.2 25,-0.3 0.962 67.9-106.5 -69.2 -55.2 44.8 75.4 15.8 56 82 A G >> - 0 0 0 22,-0.2 3,-2.3 23,-0.1 4,-0.8 -0.860 40.1 -50.6 148.8-177.6 48.5 75.7 15.0 57 83 A P T 34 S+ 0 0 34 0, 0.0 7,-0.1 0, 0.0 4,-0.1 0.667 123.9 59.4 -66.0 -16.9 51.2 75.4 12.3 58 84 A E T 34 S+ 0 0 134 2,-0.1 37,-0.2 -3,-0.1 3,-0.1 0.540 120.7 27.1 -84.7 -6.1 50.2 71.9 11.2 59 85 A X T <4 S+ 0 0 21 -3,-2.3 2,-2.2 35,-0.1 3,-0.2 0.618 130.0 28.2-111.9 -85.6 46.8 73.3 10.3 60 86 A E >X + 0 0 0 -4,-0.8 3,-2.8 1,-0.2 4,-0.6 -0.368 65.9 162.8 -83.8 65.9 46.8 77.0 9.4 61 87 A A H >> + 0 0 60 -2,-2.2 3,-1.3 1,-0.3 4,-0.5 0.850 68.4 70.2 -57.1 -31.6 50.3 77.2 8.1 62 88 A F H 34 S+ 0 0 46 1,-0.3 -24,-0.3 -3,-0.2 -1,-0.3 0.540 102.9 45.3 -60.4 -9.4 49.5 80.5 6.4 63 89 A X H <> S+ 0 0 0 -3,-2.8 4,-2.3 -7,-0.1 -1,-0.3 0.558 84.0 92.7-106.7 -13.6 49.3 82.0 9.9 64 90 A Q H > S+ 0 0 16 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.862 117.2 53.2 -65.8 -31.5 52.6 86.5 11.8 67 93 A V H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.914 101.4 58.9 -65.8 -39.9 51.5 84.5 14.9 68 94 A S H 3< S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.678 101.5 58.3 -60.4 -19.4 55.2 83.7 15.8 69 95 A K H << S+ 0 0 117 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.718 90.9 86.3 -85.1 -20.1 55.8 87.4 16.0 70 96 A L S << S- 0 0 31 -3,-1.5 5,-0.1 -4,-0.5 -23,-0.0 -0.358 90.3 -94.5 -76.5 158.5 53.1 88.0 18.7 71 97 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.357 31.0-120.9 -64.2 151.1 53.7 87.7 22.5 72 98 A G G > S+ 0 0 48 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.893 114.2 62.4 -59.5 -36.7 52.7 84.3 24.0 73 99 A A G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -22,-0.0 45,-0.1 0.573 100.9 54.0 -64.4 -12.9 50.2 86.1 26.2 74 100 A K G < S+ 0 0 54 -3,-1.6 -22,-2.5 -23,-0.1 2,-0.3 0.175 105.1 61.2-111.5 16.7 48.4 87.3 23.1 75 101 A Q E < -c 52 0A 27 -3,-1.8 2,-0.5 -24,-0.2 -22,-0.2 -0.999 53.3-159.7-140.9 151.7 47.8 83.8 21.5 76 102 A V E -c 53 0A 2 -24,-2.7 -22,-2.2 -2,-0.3 2,-0.8 -0.988 10.7-168.5-119.6 118.0 46.2 80.5 22.1 77 103 A T E > -c 54 0A 16 -2,-0.5 3,-1.5 -24,-0.2 4,-0.4 -0.893 8.6-164.3-106.1 93.6 47.8 77.7 19.9 78 104 A I G > S+ 0 0 1 -24,-2.5 3,-1.8 -2,-0.8 6,-0.2 0.881 82.3 53.9 -51.0 -50.3 45.2 74.9 20.5 79 105 A A G 3 S+ 0 0 12 -24,-2.7 -1,-0.3 1,-0.3 -23,-0.1 0.666 110.5 49.5 -64.5 -17.8 47.2 72.0 19.2 80 106 A Q G < S+ 0 0 109 -3,-1.5 -1,-0.3 -25,-0.3 -2,-0.2 0.395 79.7 120.9-101.6 -0.3 50.1 72.9 21.6 81 107 A L X> - 0 0 36 -3,-1.8 4,-2.4 -4,-0.4 3,-1.1 -0.432 68.2-130.8 -63.8 136.6 47.9 73.2 24.8 82 108 A E T 34 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.2 24,-0.0 0.856 110.4 51.1 -60.8 -34.7 49.1 70.8 27.5 83 109 A D T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.710 112.3 47.4 -70.8 -21.0 45.5 69.7 27.9 84 110 A V T X> S+ 0 0 0 -3,-1.1 3,-1.8 -6,-0.2 4,-0.9 0.858 93.5 71.9 -93.5 -37.9 45.1 69.1 24.2 85 111 A K G >< S+ 0 0 97 -4,-2.4 3,-1.3 1,-0.3 -2,-0.1 0.878 97.5 51.5 -45.4 -48.5 48.3 67.1 23.4 86 112 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.714 109.7 52.1 -64.4 -19.4 46.9 64.0 25.2 87 113 A L G <4 S+ 0 0 73 -3,-1.8 -2,-0.2 -4,-0.2 16,-0.1 0.458 78.9 117.8 -94.5 -10.4 43.7 64.2 23.2 88 114 A L << - 0 0 29 -3,-1.3 2,-0.4 -4,-0.9 7,-0.1 -0.403 54.0-146.9 -60.3 135.4 45.3 64.4 19.7 89 115 A X 0 0 49 5,-0.4 5,-2.7 -2,-0.1 76,-0.1 -0.850 360.0 360.0-108.0 139.1 44.3 61.5 17.5 90 116 A K 0 0 176 -2,-0.4 3,-0.3 3,-0.2 -1,-0.0 -0.329 360.0 360.0 -53.8 360.0 46.4 59.8 14.8 91 ! 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 92 139 A D 0 0 164 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.0 50.9 62.4 12.2 93 140 A F - 0 0 75 -3,-0.3 2,-0.4 1,-0.0 -3,-0.2 -0.664 360.0-115.2-103.7 146.3 47.8 63.9 13.9 94 141 A N - 0 0 23 -5,-2.7 -5,-0.4 -2,-0.3 -35,-0.1 -0.664 26.0-163.5 -71.5 126.4 44.4 64.9 12.7 95 142 A X + 0 0 13 -2,-0.4 2,-2.1 -37,-0.2 3,-0.3 0.223 57.5 110.3-103.5 13.2 44.2 68.7 13.1 96 143 A H > + 0 0 12 1,-0.2 3,-1.3 65,-0.2 69,-0.3 -0.354 39.7 150.9 -81.7 61.3 40.5 69.2 12.8 97 144 A L G > + 0 0 0 -2,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.659 50.4 72.1 -76.7 -21.1 40.4 70.0 16.5 98 145 A W G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.591 90.7 63.4 -74.9 -11.4 37.4 72.3 16.7 99 146 A L G < S+ 0 0 0 -3,-1.3 -1,-0.3 63,-0.2 -2,-0.2 0.303 83.2 89.9 -91.3 6.5 35.2 69.3 16.1 100 147 A S <> - 0 0 11 -3,-1.7 4,-3.1 1,-0.2 5,-0.2 -0.911 64.3-157.3-101.9 108.7 36.3 67.7 19.5 101 148 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 95.7 52.1 -46.5 -44.2 34.0 68.8 22.3 102 149 A E H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 110.8 45.3 -66.0 -39.8 36.9 68.0 24.8 103 150 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 108.4 58.3 -66.0 -39.4 39.4 70.0 22.9 104 151 A A H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.894 106.6 49.3 -55.3 -43.2 36.7 72.8 22.6 105 152 A R H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.928 111.6 47.4 -58.7 -48.1 36.7 72.8 26.5 106 153 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.860 113.0 49.7 -62.3 -40.1 40.5 73.0 26.7 107 154 A T H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.932 110.7 49.3 -65.1 -45.9 40.4 75.8 24.1 108 155 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.881 111.0 50.7 -56.2 -48.4 37.7 77.7 26.1 109 156 A V H X S+ 0 0 60 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.939 111.6 47.0 -54.3 -50.6 39.7 77.3 29.3 110 157 A A H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 113.4 48.1 -62.4 -45.4 42.9 78.7 27.6 111 158 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.960 111.9 50.0 -59.9 -49.2 41.0 81.6 26.1 112 159 A H H X S+ 0 0 29 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.934 111.5 49.0 -49.9 -56.5 39.4 82.4 29.5 113 160 A G H X S+ 0 0 34 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.940 113.8 45.8 -52.7 -49.9 42.9 82.3 31.3 114 161 A K H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 114.4 47.0 -62.7 -44.9 44.4 84.6 28.7 115 162 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.824 106.4 57.7 -68.3 -32.9 41.5 87.1 28.7 116 163 A V H < S+ 0 0 10 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.930 111.7 43.8 -61.8 -38.6 41.4 87.1 32.5 117 164 A E H < S+ 0 0 152 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.902 119.5 41.0 -68.7 -43.4 45.1 88.3 32.4 118 165 A L H < S+ 0 0 56 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.785 129.3 27.9 -76.0 -31.9 44.6 90.8 29.5 119 166 A X >< + 0 0 21 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.2 -0.551 63.4 167.0-136.5 69.2 41.3 92.2 30.9 120 167 A P G > S+ 0 0 84 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.697 75.3 67.5 -63.1 -24.0 41.1 91.8 34.7 121 168 A Q G 3 S+ 0 0 155 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.710 100.4 52.1 -63.0 -20.7 38.0 94.1 34.9 122 169 A S G <> S+ 0 0 19 -3,-2.1 4,-2.6 -7,-0.2 -1,-0.2 0.278 72.7 113.9-103.3 9.8 36.1 91.3 33.1 123 170 A R H <> S+ 0 0 125 -3,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.855 77.5 47.4 -51.0 -48.0 37.1 88.5 35.4 124 171 A A H > S+ 0 0 81 -3,-0.3 4,-2.3 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31.7 99.8 -22.1 364 149 B E H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 109.4 45.6 -73.3 -36.9 34.3 100.8 -24.7 365 150 B I H > S+ 0 0 1 2,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.883 110.8 55.9 -67.9 -37.0 37.2 99.1 -22.9 366 151 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.914 106.0 51.6 -57.8 -41.5 34.8 96.1 -22.4 367 152 B R H X S+ 0 0 58 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.952 109.9 47.2 -58.0 -52.2 34.4 96.1 -26.2 368 153 B A H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.867 113.1 51.1 -55.0 -40.3 38.2 96.0 -26.7 369 154 B T H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.909 109.2 48.5 -64.3 -47.7 38.4 93.2 -24.1 370 155 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.903 111.3 51.8 -61.2 -40.8 35.7 91.1 -25.9 371 156 B V H X S+ 0 0 65 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.929 111.3 46.0 -62.5 -44.5 37.5 91.6 -29.2 372 157 B A H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 114.0 48.5 -65.7 -44.1 40.9 90.4 -27.7 373 158 B I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.942 110.2 52.3 -60.0 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27.3 108.3 -19.1 433 218 B G T <<5 + 0 0 30 -4,-0.9 -3,-0.2 -3,-0.7 2,-0.2 0.784 53.3 159.6 64.2 35.1 27.8 112.0 -18.1 434 219 B L < - 0 0 11 -5,-1.9 -1,-0.2 -6,-0.2 -20,-0.1 -0.570 35.7-137.0 -81.7 157.0 27.3 111.7 -14.3 435 220 B T - 0 0 61 -19,-0.4 -17,-0.4 -22,-0.3 2,-0.1 -0.616 21.9-176.0-120.4 74.2 28.7 114.4 -12.1 436 221 B P - 0 0 46 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.371 18.9-152.6 -66.1 142.0 30.3 113.0 -8.9 437 222 B L - 0 0 61 -19,-3.3 2,-0.3 1,-0.3 -18,-0.2 0.723 62.0 -66.5 -79.6 -24.7 31.6 115.6 -6.4 438 223 B G E -m 419 0F 15 -20,-0.9 -18,-2.1 -16,-0.0 2,-0.3 -0.982 48.2 -86.4 162.2-175.6 34.3 113.2 -5.1 439 224 B H E -m 420 0F 55 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.972 17.0-135.8-131.9 148.3 35.2 110.0 -3.2 440 225 B F E S+ 0 0 5 -20,-2.0 2,-0.3 -2,-0.3 -18,-0.2 0.835 91.7 3.2 -62.9 -35.2 35.7 109.2 0.4 441 226 B T E -m 422 0F 10 -20,-1.3 -18,-1.0 -21,-0.3 -1,-0.2 -0.982 46.3-149.3-152.6 151.2 38.8 107.2 -0.5 442 227 B V S S+ 0 0 100 1,-0.4 -19,-0.3 -2,-0.3 -1,-0.1 0.866 105.6 32.1 -85.7 -54.2 41.1 106.2 -3.4 443 228 B N S > S- 0 0 59 1,-0.1 3,-2.1 -21,-0.1 -1,-0.4 -0.927 76.7-153.0-102.7 119.8 41.9 102.9 -1.7 444 229 B P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 0.560 93.6 67.1 -70.1 -11.4 38.9 101.6 0.3 445 230 B E T 3 S+ 0 0 56 -149,-0.1 2,-0.7 1,-0.1 -148,-0.0 0.637 88.6 78.5 -72.8 -22.9 41.4 99.7 2.5 446 231 B I S < S- 0 0 109 -3,-2.1 -4,-0.1 1,-0.0 -3,-0.1 -0.844 85.2-129.1-100.7 113.7 42.7 103.1 3.8 447 232 B Q - 0 0 138 -2,-0.7 2,-0.2 1,-0.1 -2,-0.1 -0.288 21.9-123.3 -55.8 131.5 40.5 104.8 6.4 448 233 B P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.562 32.1-113.4 -72.6 145.4 39.8 108.4 5.5 449 234 B G > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.385 24.3-108.2 -73.7 161.7 40.9 110.8 8.3 450 235 B A H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 120.5 59.4 -56.9 -36.2 38.3 112.8 10.4 451 236 B Q H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 105.4 45.0 -55.6 -50.7 39.5 115.9 8.5 452 237 B R H > S+ 0 0 66 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.937 112.6 53.4 -62.3 -42.3 38.6 114.5 5.1 453 238 B L H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.847 107.6 50.6 -60.9 -36.4 35.3 113.3 6.6 454 239 B H H X S+ 0 0 120 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.908 110.4 48.9 -67.7 -41.7 34.6 116.9 7.8 455 240 B E H X S+ 0 0 85 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.896 109.2 53.8 -67.6 -36.0 35.3 118.4 4.5 456 241 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.967 110.5 46.1 -57.8 -52.3 33.0 115.8 2.8 457 242 B R H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.956 114.7 46.0 -57.4 -51.0 30.1 116.7 5.1 458 243 B T H X S+ 0 0 71 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.903 112.7 51.2 -61.2 -40.4 30.7 120.4 4.6 459 244 B Q H X S+ 0 0 56 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.823 108.5 52.2 -59.7 -36.8 31.0 119.9 0.8 460 245 B L H X>S+ 0 0 2 -4,-2.3 5,-2.3 -3,-0.3 4,-0.5 0.926 115.1 41.4 -65.3 -45.3 27.8 117.9 0.7 461 246 B V H ><5S+ 0 0 87 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.954 117.6 45.8 -66.9 -53.1 25.9 120.7 2.5 462 247 B E H 3<5S+ 0 0 137 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.1 40.3 -54.9 -45.3 27.6 123.6 0.6 463 248 B Q H 3<5S- 0 0 122 -4,-2.3 -46,-0.3 -5,-0.2 -1,-0.2 0.453 105.1-128.1 -88.9 0.4 27.0 121.8 -2.8 464 249 B K T <<5 - 0 0 177 -3,-0.9 -47,-0.3 -4,-0.5 -3,-0.2 0.891 37.0-164.7 48.1 50.4 23.5 120.6 -1.9 465 250 B A < - 0 0 10 -5,-2.3 -47,-0.2 -6,-0.2 -1,-0.1 -0.194 18.1-151.1 -60.6 151.4 24.5 117.0 -2.8 466 251 B T + 0 0 26 -49,-2.9 23,-3.1 1,-0.2 2,-0.3 0.854 66.2 16.5 -88.9 -43.5 21.7 114.4 -3.3 467 252 B b E -ln 418 489F 0 -50,-1.4 -48,-1.4 21,-0.2 2,-0.3 -0.897 44.0-157.4-135.2 155.4 23.4 111.2 -2.4 468 253 B V E -ln 419 490F 0 21,-2.3 23,-3.1 -2,-0.3 2,-0.5 -0.969 26.8-142.8-122.9 149.2 26.3 109.3 -0.8 469 254 B F E -ln 420 491F 0 -50,-1.8 -48,-0.6 -2,-0.3 23,-0.3 -0.945 11.6-167.3-122.6 122.4 27.1 105.7 -1.9 470 255 B A E - n 0 492F 4 21,-2.9 23,-2.8 -2,-0.5 -49,-0.1 -0.384 16.8-137.6 -85.2 174.4 28.2 102.8 0.2 471 256 B E > - 0 0 4 3,-0.4 3,-1.6 21,-0.2 23,-0.2 -0.993 14.4-126.6-136.4 148.0 29.6 99.6 -1.3 472 257 B P T 3 S+ 0 0 70 0, 0.0 22,-0.1 0, 0.0 -1,-0.1 0.688 105.9 61.7 -70.8 -21.1 28.9 96.0 -0.3 473 258 B Q T 3 S+ 0 0 26 1,-0.1 2,-0.4 -180,-0.1 -179,-0.1 0.543 104.9 54.9 -73.8 -11.3 32.6 95.1 0.1 474 259 B F S < S- 0 0 33 -3,-1.6 -3,-0.4 2,-0.0 -1,-0.1 -0.984 93.1-106.4-133.1 133.5 33.0 97.7 2.9 475 260 B R > - 0 0 201 -2,-0.4 3,-0.5 1,-0.1 4,-0.2 -0.367 31.0-139.3 -55.0 128.4 31.2 98.3 6.2 476 261 B P T 3> S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.412 71.1 108.2 -77.3 3.2 29.0 101.5 5.5 477 262 B A H 3> S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.862 77.2 49.2 -48.5 -49.2 29.6 103.2 8.9 478 263 B V H <> S+ 0 0 27 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.931 113.8 47.0 -61.3 -40.9 31.9 106.0 7.7 479 264 B V H > S+ 0 0 1 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.919 112.9 49.7 -63.0 -45.5 29.4 106.9 4.9 480 265 B E H X S+ 0 0 90 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.876 109.5 52.4 -60.5 -40.9 26.6 106.8 7.4 481 266 B S H < S+ 0 0 53 -4,-2.9 3,-0.2 -5,-0.2 -2,-0.2 0.931 108.6 48.7 -63.9 -44.0 28.5 109.0 9.8 482 267 B V H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.8 49.6 -63.1 -36.9 29.2 111.7 7.2 483 268 B A H >< S+ 0 0 15 -4,-1.8 3,-2.5 -5,-0.2 5,-0.4 0.783 85.0 111.5 -72.1 -30.6 25.5 111.8 6.1 484 269 B R T 3< S+ 0 0 153 -4,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.196 84.3 16.5 -52.7 129.3 24.2 112.1 9.7 485 270 B G T 3 S+ 0 0 88 1,-0.4 -1,-0.3 3,-0.1 2,-0.2 0.228 112.0 96.5 88.2 -12.6 22.6 115.5 10.3 486 271 B T S < S- 0 0 37 -3,-2.5 -1,-0.4 2,-0.1 -3,-0.0 -0.504 80.2-123.7-100.4 173.4 22.3 116.2 6.6 487 272 B S + 0 0 125 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.1 0.195 68.0 128.3 -97.4 11.0 19.5 115.8 4.1 488 273 B V - 0 0 23 -5,-0.4 2,-0.3 -21,-0.1 -21,-0.2 -0.400 55.5-131.9 -68.4 140.8 21.6 113.5 1.8 489 274 B R E -n 467 0F 114 -23,-3.1 -21,-2.3 32,-0.1 2,-0.5 -0.706 16.4-133.7 -86.7 146.1 20.2 110.1 0.7 490 275 B X E +n 468 0F 82 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.899 30.1 166.6-101.6 135.1 22.4 107.0 1.0 491 276 B G E -n 469 0F 10 -23,-3.1 -21,-2.9 -2,-0.5 2,-0.4 -0.647 27.7-121.6-124.1-173.7 22.6 104.5 -1.8 492 277 B T E -n 470 0F 56 -23,-0.3 2,-0.4 25,-0.2 -21,-0.2 -0.999 16.4-168.7-134.8 134.1 24.9 101.5 -2.6 493 278 B L - 0 0 0 -23,-2.8 -72,-0.1 -2,-0.4 21,-0.1 -0.975 6.8-159.2-113.6 141.0 27.1 100.9 -5.7 494 279 B D > - 0 0 2 -2,-0.4 3,-1.2 -23,-0.2 20,-0.1 -0.888 8.4-176.2-120.9 104.0 28.7 97.6 -6.4 495 280 B P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -135,-0.1 0.552 85.3 51.8 -74.5 -6.3 31.7 97.9 -8.8 496 281 B L T 3 S- 0 0 9 -227,-0.1 -227,-0.1 -226,-0.1 14,-0.0 0.366 99.0-130.6-112.9 2.5 32.1 94.0 -8.8 497 282 B G X + 0 0 0 -3,-1.2 3,-1.7 13,-0.1 -206,-0.0 0.838 37.3 174.1 55.1 43.4 28.5 93.0 -9.7 498 283 B T T 3 S+ 0 0 34 1,-0.3 -1,-0.1 -208,-0.1 -207,-0.1 0.839 71.1 46.8 -53.5 -43.5 28.4 90.4 -6.9 499 284 B N T 3 S+ 0 0 99 2,-0.1 2,-0.3 -208,-0.0 -1,-0.3 0.607 92.8 95.3 -82.2 -7.6 24.7 89.4 -7.2 500 285 B I S < S- 0 0 10 -3,-1.7 2,-0.3 6,-0.0 -227,-0.0 -0.640 70.0-135.9 -87.6 135.3 24.9 89.0 -11.1 501 286 B K - 0 0 168 -2,-0.3 -2,-0.1 1,-0.1 5,-0.0 -0.660 27.0 -99.1 -89.0 143.7 25.6 85.4 -12.4 502 287 B L + 0 0 64 -2,-0.3 2,-0.3 -217,-0.1 -1,-0.1 -0.246 69.5 96.8 -48.8 143.9 28.1 84.7 -15.2 503 288 B G S > S- 0 0 19 -230,-0.2 3,-1.6 -231,-0.2 4,-0.4 -0.875 81.4 -51.3 156.8-175.0 26.6 84.2 -18.7 504 289 B K T 3 S+ 0 0 64 1,-0.3 3,-0.3 -2,-0.3 4,-0.2 0.827 131.3 31.4 -49.3 -42.3 25.7 85.6 -22.1 505 290 B T T 3> S+ 0 0 67 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.406 89.0 105.6-101.9 4.4 23.9 88.7 -20.8 506 291 B S H <> S+ 0 0 1 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.814 77.0 50.6 -57.9 -39.3 25.9 89.2 -17.6 507 292 B Y H > S+ 0 0 1 -4,-0.4 4,-2.4 -234,-0.4 5,-0.2 0.962 113.4 44.4 -72.1 -45.3 27.9 92.3 -18.7 508 293 B S H > S+ 0 0 13 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.882 112.8 53.3 -58.9 -41.0 24.9 94.2 -20.0 509 294 B E H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 108.3 51.3 -57.7 -43.7 23.0 93.2 -16.8 510 295 B F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.949 110.7 45.3 -60.4 -52.2 25.9 94.6 -14.7 511 296 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.924 114.8 50.6 -60.7 -39.7 26.0 98.0 -16.4 512 297 B S H X S+ 0 0 33 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.884 110.6 48.2 -62.1 -41.3 22.2 98.2 -16.1 513 298 B Q H X S+ 0 0 39 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 110.9 50.3 -65.5 -48.6 22.3 97.3 -12.4 514 299 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.935 110.8 50.0 -55.2 -47.5 25.0 99.9 -11.8 515 300 B A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.933 110.9 49.2 -56.1 -45.7 22.8 102.5 -13.6 516 301 B N H X S+ 0 0 81 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.862 107.4 55.4 -64.5 -35.8 19.8 101.5 -11.5 517 302 B Q H X S+ 0 0 38 -4,-2.5 4,-1.1 2,-0.2 -25,-0.2 0.942 113.0 41.3 -61.4 -47.2 21.9 101.8 -8.3 518 303 B Y H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.6 0.967 118.0 47.2 -58.1 -53.6 22.8 105.4 -9.2 519 304 B A H 3X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.837 103.8 60.4 -62.6 -39.4 19.2 106.2 -10.4 520 305 B S H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 117.6 31.2 -64.7 -32.8 17.5 104.8 -7.4 521 306 B b H << S+ 0 0 7 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.854 126.0 41.4 -83.8 -43.8 19.3 107.2 -5.1 522 307 B L H < 0 0 0 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.789 360.0 360.0 -78.9 -31.6 19.7 110.2 -7.4 523 308 B K < 0 0 181 -4,-2.7 -110,-0.0 -5,-0.2 -4,-0.0 -0.241 360.0 360.0 -63.8 360.0 16.3 110.4 -9.2