==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 24-APR-12 4ARH . COMPND 2 MOLECULE: METAL-BINDING PROTEIN YODA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR F.ALALEONA,A.ILARI,A.BATTISTONI,P.PETRARCA,E.CHIANCONE . 186 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 25.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 2 1 2 0 1 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 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 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 8 A A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 -6.7 16.0 -9.0 2 9 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.064 360.0 -69.2 -59.2 178.6 -4.5 16.8 -12.0 3 10 A M - 0 0 74 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.524 36.0-137.0 -90.5 136.5 -2.7 20.2 -12.5 4 11 A T > - 0 0 79 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.296 36.9-100.8 -73.2 168.4 -4.1 23.6 -13.3 5 12 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.867 126.2 52.3 -61.3 -36.7 -2.5 25.8 -15.9 6 13 A V H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 110.7 48.5 -64.9 -37.7 -0.8 27.8 -13.1 7 14 A E H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.873 109.8 50.8 -68.0 -41.6 0.5 24.5 -11.6 8 15 A Q H X S+ 0 0 98 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.929 113.8 45.6 -60.0 -47.3 1.9 23.3 -15.1 9 16 A K H ><>S+ 0 0 109 -4,-2.1 5,-2.6 2,-0.2 3,-0.5 0.898 111.1 51.0 -64.3 -42.4 3.7 26.6 -15.6 10 17 A A H ><5S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.883 106.1 57.1 -62.5 -35.6 5.1 26.7 -12.1 11 18 A A H 3<5S+ 0 0 28 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.6 51.6 -67.2 -26.4 6.3 23.1 -12.7 12 19 A A T <<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.284 129.3 -98.7 -88.4 7.3 8.2 24.5 -15.8 13 20 A G T < 5S+ 0 0 5 -3,-1.7 100,-1.8 1,-0.2 2,-0.6 0.648 88.7 119.8 86.5 17.5 9.8 27.2 -13.5 14 21 A V < + 0 0 85 -5,-2.6 2,-0.3 98,-0.2 -2,-0.2 -0.941 35.5 126.1-119.6 108.1 7.4 30.0 -14.5 15 22 A F - 0 0 20 -2,-0.6 2,-0.5 -5,-0.1 -8,-0.0 -0.996 58.4-107.4-158.4 158.0 5.4 31.5 -11.6 16 23 A D > - 0 0 99 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.803 27.0-139.3 -85.5 125.0 4.4 34.6 -9.7 17 24 A D G > S+ 0 0 76 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.769 101.1 70.1 -52.6 -29.2 6.1 34.8 -6.3 18 25 A A G 3 S+ 0 0 60 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.716 95.0 54.6 -64.7 -23.7 2.8 36.0 -4.9 19 26 A N G < S+ 0 0 68 -3,-2.3 -1,-0.3 2,-0.0 2,-0.2 0.537 81.1 109.6 -83.8 -12.8 1.3 32.5 -5.5 20 27 A V < + 0 0 1 -3,-1.3 2,-0.3 -4,-0.4 120,-0.2 -0.477 47.1 179.6 -70.8 134.4 3.9 30.6 -3.5 21 28 A R - 0 0 129 118,-2.6 -2,-0.0 -2,-0.2 -3,-0.0 -0.922 31.4 -92.2-133.1 159.3 2.6 29.2 -0.2 22 29 A D - 0 0 90 -2,-0.3 2,-0.3 118,-0.1 95,-0.0 -0.276 38.2-156.2 -63.9 149.4 3.9 27.1 2.7 23 30 A R - 0 0 6 117,-0.1 2,-0.3 118,-0.1 79,-0.2 -0.924 9.6-127.4-127.3 160.4 3.6 23.4 2.6 24 31 A A > - 0 0 50 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.727 28.6-111.0-102.6 154.9 3.6 20.7 5.3 25 32 A L G > S+ 0 0 16 1,-0.3 3,-2.2 -2,-0.3 4,-0.1 0.743 111.4 76.6 -53.0 -25.4 5.8 17.7 5.5 26 33 A T G > S+ 0 0 69 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.785 75.6 74.4 -63.0 -26.4 2.7 15.6 4.8 27 34 A D G < S+ 0 0 19 -3,-2.2 117,-2.5 1,-0.3 -1,-0.3 0.791 104.2 40.3 -52.6 -25.0 2.9 16.6 1.2 28 35 A W G < S+ 0 0 0 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.256 84.2 137.0-109.2 12.0 5.8 14.1 1.1 29 36 A D < + 0 0 53 -3,-1.8 2,-0.2 -4,-0.1 52,-0.2 -0.229 41.6 61.0 -55.4 144.8 4.3 11.3 3.3 30 37 A G E S-A 80 0A 34 50,-3.0 50,-2.7 2,-0.0 2,-0.4 -0.732 88.5 -61.5 131.0-177.4 4.9 7.9 1.9 31 38 A M E -A 79 0A 99 -2,-0.2 141,-3.1 48,-0.2 2,-0.3 -0.910 51.8-170.8-110.2 135.3 7.7 5.4 1.0 32 39 A W E -AB 78 171A 11 46,-2.9 46,-2.2 -2,-0.4 2,-0.4 -0.971 15.8-149.4-136.7 140.7 10.2 6.4 -1.7 33 40 A Q E -AB 77 170A 25 137,-2.9 137,-2.2 -2,-0.3 44,-0.2 -0.880 27.5-115.3-107.7 139.3 13.0 4.9 -3.8 34 41 A S E - B 0 169A 3 42,-2.7 135,-0.2 -2,-0.4 4,-0.2 -0.457 15.1-145.0 -62.0 140.6 16.1 6.7 -5.2 35 42 A V S >> S+ 0 0 0 133,-2.4 4,-1.2 1,-0.2 3,-0.9 0.531 80.3 93.2 -80.5 -8.6 16.1 6.8 -9.0 36 43 A Y H >> S+ 0 0 50 132,-0.4 4,-2.6 35,-0.3 3,-0.5 0.869 77.2 56.0 -57.1 -45.0 19.9 6.5 -9.0 37 44 A P H 3> S+ 0 0 59 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.822 106.3 53.6 -57.9 -30.0 20.1 2.7 -9.3 38 45 A Y H <4>S+ 0 0 44 -3,-0.9 5,-1.4 2,-0.2 6,-1.1 0.784 107.9 48.4 -76.1 -28.2 18.0 2.9 -12.4 39 46 A L H X<5S+ 0 0 0 -4,-1.2 3,-1.0 -3,-0.5 -1,-0.2 0.914 113.4 49.8 -69.1 -44.0 20.4 5.4 -14.0 40 47 A V H 3<5S+ 0 0 81 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.901 109.3 48.8 -59.3 -46.2 23.2 3.0 -13.0 41 48 A S T 3<5S- 0 0 68 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.530 116.8-115.0 -73.1 -5.8 21.5 -0.1 -14.5 42 49 A G T X 5S+ 0 0 20 -3,-1.0 3,-1.3 -4,-0.2 -3,-0.2 0.500 80.9 125.9 84.9 6.7 21.0 2.0 -17.7 43 50 A E T 3 < + 0 0 94 -5,-1.4 -4,-0.2 1,-0.3 137,-0.1 0.608 68.6 55.3 -78.8 -9.1 17.2 1.9 -17.4 44 51 A L T >> S+ 0 0 0 -6,-1.1 3,-1.6 1,-0.2 4,-1.2 0.433 76.3 103.4 -96.1 -0.5 16.9 5.7 -17.5 45 52 A D H X> S+ 0 0 30 -3,-1.3 4,-2.2 -7,-0.3 3,-0.5 0.864 72.4 60.0 -49.9 -45.4 18.7 5.8 -20.9 46 53 A P H 3> S+ 0 0 48 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.788 102.2 55.4 -55.3 -28.8 15.5 6.4 -22.9 47 54 A V H <> S+ 0 0 3 -3,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.904 109.7 44.3 -65.8 -43.2 14.9 9.6 -20.9 48 55 A F H < S+ 0 0 23 -4,-1.9 3,-1.2 1,-0.2 6,-0.3 0.918 111.7 53.5 -69.2 -43.9 19.2 14.6 -26.7 53 60 A K H 3< S+ 0 0 150 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.825 108.2 50.2 -57.7 -35.5 16.7 14.1 -29.6 54 61 A K T 3< S+ 0 0 145 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.420 113.7 44.2 -90.9 -1.5 14.8 17.3 -28.8 55 62 A D X - 0 0 49 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.2 -0.867 61.8-162.1-146.9 112.3 17.8 19.6 -28.6 56 63 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.665 91.0 62.6 -70.7 -16.3 20.6 19.4 -31.3 57 64 A E T 3 S+ 0 0 179 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.549 96.3 73.6 -81.6 -11.3 23.0 21.2 -29.0 58 65 A K < - 0 0 108 -3,-1.6 2,-0.3 -6,-0.3 -3,-0.1 -0.630 66.2-150.2-100.3 158.8 22.9 18.5 -26.4 59 66 A T > - 0 0 55 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.961 23.1-125.5-122.9 150.1 24.4 15.0 -26.3 60 67 A F H > S+ 0 0 48 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.929 110.9 53.6 -47.5 -53.2 23.1 11.8 -24.6 61 68 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 111.3 43.4 -56.1 -47.3 26.5 11.4 -22.8 62 69 A D H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.784 113.6 51.3 -73.2 -27.2 26.6 14.9 -21.4 63 70 A I H X S+ 0 0 13 -4,-1.9 4,-2.1 -3,-0.2 -2,-0.2 0.962 112.3 46.6 -71.1 -51.7 22.9 14.8 -20.3 64 71 A K H X S+ 0 0 32 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.873 110.3 53.2 -54.4 -44.2 23.4 11.4 -18.6 65 72 A A H X S+ 0 0 40 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.869 108.3 51.0 -58.3 -41.6 26.6 12.7 -16.8 66 73 A Y H X S+ 0 0 115 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.892 113.6 43.5 -64.3 -43.4 24.6 15.7 -15.6 67 74 A Y H X S+ 0 0 46 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.857 109.9 57.5 -70.7 -33.1 21.9 13.4 -14.2 68 75 A R H X S+ 0 0 107 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.947 110.5 43.0 -59.2 -48.9 24.5 11.0 -12.8 69 76 A K H < S+ 0 0 135 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.7 48.1 -64.5 -38.9 26.0 13.9 -10.8 70 77 A G H < S+ 0 0 0 -4,-1.7 96,-3.1 95,-0.2 -2,-0.2 0.930 117.8 37.5 -67.4 -46.7 22.5 15.0 -9.8 71 78 A Y H < S+ 0 0 12 -4,-3.6 97,-0.3 94,-0.2 -35,-0.3 0.742 82.6 123.7 -82.0 -24.7 21.1 11.7 -8.7 72 79 A V < + 0 0 56 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.0 -0.058 31.9 124.4 -51.5 126.0 24.1 10.1 -7.0 73 80 A T - 0 0 21 93,-0.1 95,-0.0 1,-0.1 -2,-0.0 -0.946 56.2-140.1-170.3 155.6 23.5 9.0 -3.4 74 81 A N S S+ 0 0 67 -2,-0.3 2,-1.7 1,-0.1 16,-1.3 0.434 78.8 101.1-103.4 -0.2 23.7 6.0 -1.2 75 82 A V E + C 0 89A 13 14,-0.2 14,-0.3 1,-0.2 -1,-0.1 -0.619 48.2 172.4 -78.4 83.7 20.4 6.8 0.5 76 83 A E E + 0 0 60 -2,-1.7 -42,-2.7 12,-0.7 2,-0.4 0.729 58.2 32.2 -67.1 -25.3 18.4 4.3 -1.5 77 84 A T E -AC 33 88A 41 11,-1.4 11,-2.9 -44,-0.2 2,-0.4 -0.995 56.5-173.7-142.4 139.6 15.1 4.7 0.5 78 85 A I E -AC 32 87A 0 -46,-2.2 -46,-2.9 -2,-0.4 2,-0.4 -0.999 6.5-165.7-133.5 135.0 13.3 7.4 2.4 79 86 A G E -AC 31 86A 7 7,-2.1 7,-3.1 -2,-0.4 2,-0.4 -0.974 4.5-168.7-120.1 136.5 10.1 6.9 4.4 80 87 A I E +AC 30 85A 5 -50,-2.7 -50,-3.0 -2,-0.4 2,-0.3 -0.984 24.0 131.9-133.0 124.7 8.0 9.9 5.6 81 88 A E E > + C 0 84A 129 3,-2.1 3,-2.6 -2,-0.4 -2,-0.1 -0.949 63.9 5.6-167.9 140.3 5.2 9.7 8.2 82 89 A N T 3 S- 0 0 128 1,-0.3 3,-0.1 -2,-0.3 -56,-0.0 0.825 128.4 -52.3 47.4 44.1 4.0 11.5 11.3 83 90 A G T 3 S+ 0 0 13 1,-0.2 15,-2.6 14,-0.1 2,-0.4 0.471 115.1 117.6 76.8 3.9 6.6 14.3 11.1 84 91 A V E < -CD 81 97A 50 -3,-2.6 -3,-2.1 13,-0.2 2,-0.5 -0.891 48.6-160.2-112.8 133.3 9.4 11.7 10.8 85 92 A I E -CD 80 96A 0 11,-2.1 11,-1.0 -2,-0.4 2,-0.5 -0.941 8.8-161.9-106.6 125.0 11.8 11.1 8.0 86 93 A E E -CD 79 95A 73 -7,-3.1 -7,-2.1 -2,-0.5 2,-0.5 -0.908 4.4-159.5-105.8 131.4 13.6 7.8 7.9 87 94 A F E -CD 78 94A 8 7,-3.3 7,-1.1 -2,-0.5 2,-0.8 -0.943 5.9-162.9-116.3 119.2 16.8 7.4 5.8 88 95 A H E +CD 77 93A 58 -11,-2.9 -11,-1.4 -2,-0.5 -12,-0.7 -0.892 12.8 176.8-102.9 106.1 18.1 4.1 4.6 89 96 A R E > -CD 75 92A 130 3,-2.5 3,-2.7 -2,-0.8 -14,-0.2 -0.907 63.5 -64.5-110.1 102.0 21.7 4.5 3.5 90 97 A D T 3 S- 0 0 91 -16,-1.3 -13,-0.0 -2,-0.7 -14,-0.0 -0.411 119.8 -17.3 50.2-120.5 23.1 1.1 2.5 91 98 A N T 3 S+ 0 0 162 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.298 122.2 94.9 -94.7 10.7 22.9 -0.9 5.8 92 99 A N E < -D 89 0A 115 -3,-2.7 -3,-2.5 2,-0.0 2,-0.3 -0.798 53.4-170.8-101.4 145.2 22.6 2.3 7.9 93 100 A V E +D 88 0A 86 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.941 8.6 168.2-131.8 151.5 19.3 3.7 9.1 94 101 A A E -D 87 0A 19 -7,-1.1 -7,-3.3 -2,-0.3 2,-0.3 -0.951 5.7-178.8-163.5 143.1 18.5 6.9 10.8 95 102 A S E +D 86 0A 60 -2,-0.3 33,-0.3 -9,-0.2 2,-0.3 -0.952 3.7 172.6-143.3 164.8 15.4 9.0 11.6 96 103 A a E -D 85 0A 11 -11,-1.0 -11,-2.1 -2,-0.3 2,-0.5 -0.958 37.6-108.2-165.3 153.9 14.4 12.2 13.2 97 104 A K E -D 84 0A 111 -2,-0.3 25,-0.5 -13,-0.2 2,-0.4 -0.818 42.1-144.8 -91.1 131.7 11.3 14.3 13.7 98 105 A Y E -E 121 0A 2 -15,-2.6 2,-0.4 -2,-0.5 23,-0.2 -0.871 8.1-150.8-111.7 131.1 11.6 17.4 11.5 99 106 A N E -E 120 0A 62 21,-2.8 21,-2.6 -2,-0.4 2,-0.2 -0.792 28.6-110.6 -94.8 140.9 10.3 20.9 12.1 100 107 A Y E -E 119 0A 83 -2,-0.4 19,-0.3 19,-0.2 3,-0.1 -0.458 29.3-178.0 -70.5 133.1 9.3 23.2 9.2 101 108 A A E - 0 0 49 17,-3.5 18,-0.2 1,-0.4 2,-0.1 0.167 44.5-106.2-120.4 17.6 11.6 26.1 8.5 102 109 A G E - 0 0 17 16,-0.5 16,-2.9 -79,-0.2 -1,-0.4 -0.450 39.7 -70.0 95.7-166.8 9.8 27.8 5.7 103 110 A Y E -E 117 0A 77 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.866 28.0-148.5-129.6 160.0 10.4 28.0 2.0 104 111 A K E -E 116 0A 89 12,-2.3 12,-2.9 -2,-0.3 2,-0.6 -0.999 9.8-144.1-133.7 130.5 12.9 29.7 -0.3 105 112 A I E -E 115 0A 50 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.848 23.5-167.6 -93.4 120.1 12.3 31.0 -3.8 106 113 A L E -E 114 0A 31 8,-3.0 8,-2.2 -2,-0.6 2,-0.5 -0.826 16.7-156.2-110.5 141.7 15.3 30.5 -6.1 107 114 A T E -E 113 0A 99 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.988 23.6-146.8-112.2 127.4 16.0 31.9 -9.6 108 115 A Y > - 0 0 67 4,-3.0 3,-2.3 -2,-0.5 6,-0.0 -0.428 28.3-102.2 -92.4 166.0 18.4 29.7 -11.5 109 116 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.903 122.8 61.1 -50.1 -43.9 21.1 30.8 -14.0 110 117 A S T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.597 117.5-113.9 -57.0 -17.8 18.7 29.6 -16.7 111 118 A G S < S+ 0 0 53 -3,-2.3 -2,-0.1 1,-0.4 -1,-0.1 0.337 78.9 123.9 91.1 -6.8 16.2 32.2 -15.6 112 119 A K - 0 0 116 -98,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.438 51.1-141.7 -75.8 161.6 13.7 29.5 -14.4 113 120 A K E +E 107 0A 45 -100,-1.8 2,-0.3 -6,-0.2 -6,-0.2 -0.792 20.3 175.0-122.0 166.9 12.5 29.6 -10.8 114 121 A G E -E 106 0A 10 -8,-2.2 -8,-3.0 -2,-0.3 2,-0.4 -0.979 22.9-125.3-160.7 166.8 11.8 27.1 -8.1 115 122 A V E -E 105 0A 5 -2,-0.3 21,-0.4 -10,-0.2 2,-0.4 -0.977 14.4-158.5-122.6 132.9 10.8 26.7 -4.5 116 123 A R E -E 104 0A 1 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.6 -0.909 10.0-145.5-104.6 143.1 12.6 24.8 -1.8 117 124 A Y E -EF 103 134A 0 17,-2.7 17,-2.3 -2,-0.4 2,-0.3 -0.918 20.3-147.2-109.9 115.3 10.9 23.6 1.4 118 125 A L E + F 0 133A 4 -16,-2.9 -17,-3.5 -2,-0.6 -16,-0.5 -0.672 18.7 177.6 -96.2 132.4 13.2 23.7 4.4 119 126 A F E -EF 100 132A 3 13,-3.2 13,-2.2 -2,-0.3 2,-0.4 -0.940 10.8-154.1-128.4 151.1 13.1 21.3 7.3 120 127 A E E -EF 99 131A 57 -21,-2.6 -21,-2.8 -2,-0.3 2,-0.6 -0.996 12.4-149.2-131.2 132.1 15.3 21.0 10.4 121 128 A a E -E 98 0A 2 9,-2.6 -23,-0.1 -2,-0.4 5,-0.1 -0.880 14.5-174.0 -87.8 118.7 16.2 18.1 12.7 122 129 A K + 0 0 141 -2,-0.6 2,-1.8 -25,-0.5 -1,-0.1 0.517 59.7 99.0 -97.0 -7.3 16.8 19.8 16.2 123 130 A D > - 0 0 97 -26,-0.3 3,-0.7 1,-0.2 -1,-0.1 -0.616 64.9-164.0 -74.9 80.3 18.0 16.5 17.9 124 131 A A T 3 S+ 0 0 57 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.576 75.6 56.1 -55.6 -19.4 21.6 17.6 17.3 125 132 A N T 3 S+ 0 0 163 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.340 80.8 114.3-110.3 52.1 23.1 14.1 18.0 126 133 A S < - 0 0 34 -3,-0.7 4,-0.1 2,-0.2 -30,-0.1 -0.813 67.5-132.9-111.0 155.6 21.3 12.1 15.3 127 134 A K S S+ 0 0 194 -2,-0.3 -31,-0.1 -32,-0.2 3,-0.1 0.492 81.6 99.2 -82.9 -6.2 22.7 10.3 12.3 128 135 A A S S- 0 0 1 -33,-0.3 -2,-0.2 1,-0.1 -33,-0.1 -0.573 93.8 -88.9 -78.0 145.1 19.9 11.8 10.2 129 136 A P - 0 0 18 0, 0.0 24,-0.2 0, 0.0 -1,-0.1 -0.301 29.2-142.1 -57.2 138.6 20.8 15.0 8.2 130 137 A K S S+ 0 0 68 22,-0.3 -9,-2.6 1,-0.1 2,-0.4 0.795 85.3 40.7 -69.9 -32.7 20.2 18.1 10.2 131 138 A Y E +FG 120 152A 43 21,-2.6 21,-2.1 -11,-0.2 2,-0.4 -0.957 64.1 176.0-126.6 138.9 18.9 20.1 7.3 132 139 A V E -FG 119 151A 0 -13,-2.2 -13,-3.2 -2,-0.4 2,-0.4 -0.994 6.6-172.0-142.7 136.5 16.6 18.9 4.5 133 140 A Q E -FG 118 150A 0 17,-1.7 17,-2.9 -2,-0.4 2,-0.4 -0.996 11.3-152.1-134.6 127.5 15.1 20.9 1.6 134 141 A F E +FG 117 149A 0 -17,-2.3 -17,-2.7 -2,-0.4 2,-0.4 -0.837 13.8 178.6 -99.3 141.7 12.5 19.5 -0.7 135 142 A S E + G 0 148A 10 13,-2.5 13,-2.8 -2,-0.4 -19,-0.1 -0.958 16.4 149.3-142.3 117.5 12.2 20.7 -4.3 136 143 A D - 0 0 5 -21,-0.4 9,-0.2 2,-0.4 10,-0.1 0.130 68.4 -95.7-144.4 27.1 9.6 19.1 -6.5 137 144 A H S S+ 0 0 95 -22,-0.3 2,-0.4 1,-0.2 -124,-0.1 0.686 91.3 113.4 68.6 22.6 8.3 21.6 -9.1 138 145 A I - 0 0 25 -23,-0.2 -2,-0.4 -127,-0.1 -1,-0.2 -0.956 42.6-175.4-127.1 140.7 5.3 22.5 -6.8 139 146 A I + 0 0 13 -2,-0.4 -118,-2.6 1,-0.1 -1,-0.1 0.331 67.5 34.4-120.4 0.8 4.8 26.0 -5.2 140 147 A A S S- 0 0 28 -120,-0.2 -117,-0.1 2,-0.0 -1,-0.1 -0.979 106.7 -50.5-154.6 161.6 1.7 25.4 -3.0 141 148 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -118,-0.1 -0.048 77.0 125.8 -46.6 122.4 0.0 22.7 -1.0 142 149 A R - 0 0 67 -4,-0.1 2,-0.2 -3,-0.0 -4,-0.1 -0.870 64.1 -96.4-172.6 138.4 -0.2 19.5 -3.1 143 150 A K - 0 0 128 -2,-0.3 -115,-0.2 1,-0.1 2,-0.1 -0.457 45.6-118.6 -64.3 130.4 0.9 15.9 -2.6 144 151 A S - 0 0 14 -117,-2.5 3,-0.1 -2,-0.2 -1,-0.1 -0.415 20.6-166.9 -69.8 142.8 4.2 15.2 -4.3 145 152 A A S S- 0 0 54 1,-0.5 2,-0.3 -9,-0.2 -1,-0.1 0.516 80.6 -16.3 -96.7 -16.3 4.5 12.6 -7.0 146 153 A H S S- 0 0 41 24,-0.2 -1,-0.5 -10,-0.1 2,-0.3 -0.878 71.4-161.8 177.4 151.2 8.3 12.7 -6.8 147 154 A F E - H 0 169A 0 22,-2.2 22,-3.1 -2,-0.3 2,-0.4 -0.982 21.6-131.0-147.5 157.5 10.9 15.0 -5.3 148 155 A H E -GH 135 168A 32 -13,-2.8 -13,-2.5 -2,-0.3 2,-0.4 -0.873 29.7-161.4 -97.6 144.5 14.5 16.2 -5.1 149 156 A I E -G 134 0A 0 18,-2.1 2,-0.5 -2,-0.4 -15,-0.2 -0.993 10.4-154.1-133.2 126.7 15.9 16.4 -1.5 150 157 A F E -G 133 0A 10 -17,-2.9 -17,-1.7 -2,-0.4 2,-0.4 -0.889 17.0-168.0 -97.8 123.5 18.9 18.4 -0.4 151 158 A M E +G 132 0A 51 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.963 16.4 152.3-118.1 130.9 20.5 16.9 2.8 152 159 A G E -G 131 0A 16 -21,-2.1 -21,-2.6 -2,-0.4 -22,-0.3 -0.988 37.7-156.2-153.4 158.5 23.2 18.7 4.8 153 160 A N S S+ 0 0 101 -2,-0.3 3,-0.1 -23,-0.2 -1,-0.1 0.351 85.2 63.2-115.3 4.7 24.7 19.0 8.3 154 161 A T S S- 0 0 119 1,-0.4 2,-0.3 -23,-0.1 3,-0.1 0.930 109.9 -44.6-100.6 -56.5 26.2 22.5 8.2 155 162 A S > - 0 0 39 1,-0.1 4,-1.3 -24,-0.0 -1,-0.4 -0.955 38.1-116.1-164.6 167.8 23.5 25.0 7.6 156 163 A Q H > S+ 0 0 26 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.855 116.4 56.3 -73.2 -40.8 20.3 25.7 5.5 157 164 A Q H 4 S+ 0 0 128 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.924 106.8 48.3 -59.4 -45.8 22.1 28.6 3.9 158 165 A A H >4 S+ 0 0 51 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.918 110.4 51.9 -59.3 -45.8 24.9 26.4 2.8 159 166 A L H >< S+ 0 0 16 -4,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.785 97.9 66.0 -62.9 -29.6 22.5 23.8 1.3 160 167 A L T 3< S+ 0 0 12 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.695 97.0 56.8 -64.5 -18.6 20.7 26.5 -0.6 161 168 A Q T < S+ 0 0 145 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.3 0.562 80.4 107.8 -89.0 -14.2 23.9 26.9 -2.7 162 169 A E < + 0 0 68 -3,-1.2 -12,-0.0 -4,-0.3 -3,-0.0 -0.541 29.5 147.9 -68.4 126.4 23.9 23.3 -3.7 163 170 A M + 0 0 69 -2,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.385 60.6 58.3-136.9 -9.2 22.9 23.0 -7.4 164 171 A E S S+ 0 0 121 1,-0.2 2,-0.5 -95,-0.1 -2,-0.1 0.843 100.3 48.2-101.1 -42.0 24.9 20.0 -8.6 165 172 A N + 0 0 55 -94,-0.1 -95,-0.2 2,-0.0 -1,-0.2 -0.896 54.6 156.4-107.8 128.5 23.7 17.1 -6.5 166 173 A W - 0 0 18 -96,-3.1 -16,-0.1 -2,-0.5 -96,-0.1 -0.535 31.8-145.9-151.8 75.8 20.0 16.5 -5.9 167 174 A P - 0 0 4 0, 0.0 -18,-2.1 0, 0.0 2,-0.4 -0.176 22.9-146.3 -50.8 138.6 19.1 12.9 -4.9 168 175 A T E - H 0 148A 2 -97,-0.3 -133,-2.4 -20,-0.2 2,-0.4 -0.922 12.9-161.1-129.5 133.6 15.7 12.2 -6.4 169 176 A Y E -BH 34 147A 0 -22,-3.1 -22,-2.2 -2,-0.4 -135,-0.2 -0.954 7.9-176.8-128.8 131.1 12.9 10.0 -5.2 170 177 A Y E -B 33 0A 14 -137,-2.2 -137,-2.9 -2,-0.4 -24,-0.2 -0.835 52.0 -65.6-116.6 157.9 9.8 8.3 -6.8 171 178 A P E > -B 32 0A 25 0, 0.0 3,-1.5 0, 0.0 -139,-0.3 -0.115 49.0-121.5 -49.1 136.4 7.1 6.3 -5.0 172 179 A Y T 3 S+ 0 0 39 -141,-3.1 -140,-0.2 1,-0.3 -2,-0.0 0.749 104.8 56.3 -50.8 -35.7 8.5 3.1 -3.6 173 180 A Q T 3 S+ 0 0 145 -142,-0.3 -1,-0.3 2,-0.0 -141,-0.1 0.701 80.6 110.9 -74.4 -22.5 6.2 0.7 -5.6 174 181 A L < - 0 0 19 -3,-1.5 2,-0.1 1,-0.1 -4,-0.1 -0.227 59.0-139.0 -67.0 141.5 7.0 1.9 -9.1 175 182 A K >> - 0 0 141 1,-0.1 4,-1.9 4,-0.0 3,-0.7 -0.432 32.7-101.5 -83.9 168.5 9.0 -0.2 -11.6 176 183 A A H 3> S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 121.9 56.4 -62.9 -37.3 11.7 1.3 -13.8 177 184 A N H 3> S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.767 108.6 48.6 -65.2 -26.7 9.4 1.4 -16.8 178 185 A E H <> S+ 0 0 78 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.851 108.9 51.2 -82.0 -37.4 6.9 3.5 -14.8 179 186 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.958 112.8 47.0 -61.1 -49.0 9.6 5.9 -13.6 180 187 A V H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.932 109.7 54.1 -53.8 -51.5 10.7 6.4 -17.3 181 188 A D H X S+ 0 0 77 -4,-1.9 4,-1.0 1,-0.2 5,-0.3 0.867 109.8 46.9 -51.5 -43.5 7.0 6.8 -18.3 182 189 A E H X S+ 0 0 63 -4,-2.0 4,-2.6 1,-0.2 3,-0.2 0.887 112.3 49.9 -70.9 -37.6 6.6 9.6 -15.8 183 190 A M H < S+ 0 0 30 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 112.1 47.3 -65.5 -38.5 9.8 11.3 -16.8 184 191 A L H < S+ 0 0 63 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.640 127.1 24.9 -78.3 -18.5 9.0 11.3 -20.5 185 192 A H H < 0 0 155 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.2 0.731 360.0 360.0-118.7 -35.9 5.4 12.6 -20.1 186 193 A H < 0 0 100 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.745 360.0 360.0-108.4 360.0 5.2 14.6 -16.8