==== 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 IMMUNE SYSTEM 13-MAR-09 2WCR . COMPND 2 MOLECULE: TNF-ALPHA INDUCER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR T.TOSI,G.CIOCI,K.JOURAVLEVA,C.DIAN,L.TERRADOT . 292 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 75.0 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 . 45 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 1 1 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 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 . 2 1 1 0 1 1 1 0 1 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 . 2 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 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 34 A N 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.6 50.8 40.9 -0.3 2 35 A S + 0 0 51 151,-0.0 154,-1.0 2,-0.0 2,-0.3 -0.668 360.0 167.3-113.8 124.0 47.5 39.4 0.3 3 36 A F E -A 155 0A 92 -2,-0.3 2,-0.3 152,-0.2 150,-0.1 -0.964 25.3-134.3-125.7 149.7 43.9 40.4 -0.5 4 37 A L E -A 154 0A 5 150,-3.4 150,-2.8 -2,-0.3 3,-0.3 -0.826 12.9-147.5-108.5 147.9 40.7 38.4 -0.2 5 38 A Q S S+ 0 0 87 -2,-0.3 147,-0.2 1,-0.2 146,-0.1 -0.702 71.1 17.1-111.8 158.2 37.9 38.0 -2.7 6 39 A D S S+ 0 0 86 -2,-0.3 -1,-0.2 1,-0.2 146,-0.2 0.912 76.5 171.3 49.7 51.2 34.1 37.5 -2.3 7 40 A V B -B 151 0B 0 144,-2.7 144,-2.7 -3,-0.3 -1,-0.2 -0.812 29.2-129.2 -96.3 124.9 34.1 38.6 1.3 8 41 A P > - 0 0 13 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.387 23.2-111.6 -72.7 154.5 30.7 39.0 2.9 9 42 A Y G > S+ 0 0 128 1,-0.3 3,-1.6 2,-0.2 141,-0.0 0.810 113.4 60.5 -53.5 -36.4 29.9 42.2 4.8 10 43 A W G 3 S+ 0 0 23 1,-0.3 -1,-0.3 149,-0.0 4,-0.1 0.594 94.4 64.5 -73.3 -11.3 29.8 40.5 8.2 11 44 A M G < S+ 0 0 0 -3,-2.1 149,-2.0 148,-0.1 -1,-0.3 0.559 89.6 91.9 -82.0 -12.5 33.4 39.4 7.9 12 45 A L B < S-C 159 0C 3 -3,-1.6 147,-0.2 -4,-0.3 146,-0.1 -0.584 88.0-100.7 -91.7 148.7 34.6 43.0 7.9 13 46 A Q + 0 0 28 145,-3.1 2,-0.3 -2,-0.2 -1,-0.1 -0.368 57.4 163.1 -54.7 136.7 35.7 45.3 10.7 14 47 A N - 0 0 68 2,-0.1 2,-0.7 146,-0.1 156,-0.0 -0.984 46.3-119.9-163.4 160.4 32.8 47.6 11.6 15 48 A R S S+ 0 0 123 -2,-0.3 2,-0.3 2,-0.1 156,-0.0 -0.900 71.6 103.4-109.8 111.1 31.3 49.9 14.2 16 49 A S - 0 0 52 -2,-0.7 2,-0.6 2,-0.0 -2,-0.1 -0.775 60.2-139.7 159.5 121.3 28.0 48.3 15.0 17 50 A E + 0 0 127 -2,-0.3 2,-1.0 3,-0.0 3,-0.2 -0.891 24.1 169.6-117.0 92.3 27.2 46.4 18.1 18 51 A Y > - 0 0 136 -2,-0.6 3,-1.7 1,-0.2 34,-0.1 -0.800 12.2-179.3 -98.3 87.9 25.0 43.4 17.3 19 52 A I T 3 S+ 0 0 17 -2,-1.0 -1,-0.2 1,-0.3 33,-0.1 0.866 77.4 48.3 -63.0 -37.2 25.5 42.0 20.8 20 53 A T T 3 S+ 0 0 3 123,-0.2 91,-2.8 -3,-0.2 2,-0.4 0.399 99.7 81.8 -87.2 3.2 23.3 38.9 20.1 21 54 A Q E < -D 110 0D 34 -3,-1.7 2,-0.4 89,-0.2 89,-0.2 -0.841 64.2-163.6-102.1 145.4 25.2 38.1 16.8 22 55 A G E -D 109 0D 0 87,-2.2 87,-2.6 -2,-0.4 2,-0.4 -0.995 13.8-170.9-131.5 137.3 28.5 36.3 16.8 23 56 A V E +D 108 0D 33 -2,-0.4 2,-0.3 85,-0.2 85,-0.2 -0.996 31.1 130.1-119.8 126.3 31.2 35.9 14.3 24 57 A D E -D 107 0D 25 83,-1.6 83,-3.1 -2,-0.4 2,-0.3 -0.922 33.8-136.2-157.7-174.5 34.0 33.4 15.1 25 58 A S E -D 106 0D 18 -2,-0.3 2,-0.4 81,-0.3 81,-0.3 -0.855 8.0-138.9-145.9 166.9 35.8 30.5 13.4 26 59 A S E -D 105 0D 18 79,-2.3 79,-2.8 -2,-0.3 15,-0.1 -0.997 23.3-134.4-128.9 135.2 37.3 27.1 13.5 27 60 A H - 0 0 105 -2,-0.4 77,-0.1 77,-0.2 76,-0.1 -0.399 38.0 -91.8 -73.7 162.3 40.5 26.0 11.9 28 61 A I - 0 0 76 74,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.341 32.7-157.4 -73.3 160.2 40.7 22.8 9.9 29 62 A V > - 0 0 71 3,-0.3 3,-2.3 -2,-0.1 8,-0.1 -0.980 28.0-109.6-140.3 121.2 41.6 19.4 11.3 30 63 A D T 3 S+ 0 0 169 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.254 105.5 23.7 -51.2 136.4 42.9 16.6 9.2 31 64 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.329 99.4 104.9 85.5 -6.9 40.3 13.9 8.8 32 65 A K S < S- 0 0 99 -3,-2.3 -3,-0.3 3,-0.0 -1,-0.2 -0.908 71.0-127.2-103.4 128.2 37.4 16.2 9.6 33 66 A K >> - 0 0 146 -2,-0.5 4,-1.6 1,-0.1 3,-1.3 -0.421 25.6-107.7 -69.3 155.7 35.2 17.2 6.6 34 67 A T H 3> S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.844 120.5 59.3 -50.0 -40.5 34.6 20.9 5.9 35 68 A E H 3> S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.861 104.2 49.9 -59.4 -36.8 30.9 20.4 7.1 36 69 A E H <> S+ 0 0 91 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.878 109.2 51.4 -66.1 -42.9 32.2 19.2 10.5 37 70 A I H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.880 105.9 56.3 -64.1 -35.4 34.5 22.3 10.7 38 71 A E H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.891 106.8 49.4 -64.2 -41.6 31.4 24.5 9.9 39 72 A K H X S+ 0 0 155 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.918 112.1 47.0 -57.9 -44.5 29.6 22.9 12.9 40 73 A I H X S+ 0 0 65 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.939 112.6 50.2 -65.6 -43.6 32.5 23.6 15.2 41 74 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 66,-0.3 0.877 108.5 53.1 -61.0 -40.4 32.8 27.2 13.8 42 75 A T H X S+ 0 0 25 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.902 109.8 47.3 -65.1 -40.8 29.0 27.7 14.4 43 76 A K H X S+ 0 0 120 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.910 111.4 51.7 -64.6 -40.0 29.4 26.6 18.1 44 77 A R H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 108.7 50.2 -65.3 -35.3 32.4 28.9 18.5 45 78 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.822 109.4 52.3 -71.6 -30.8 30.4 31.8 17.1 46 79 A T H X S+ 0 0 13 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.913 108.0 49.9 -71.3 -41.7 27.6 31.0 19.6 47 80 A I H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.925 105.3 59.7 -59.2 -39.6 30.1 31.0 22.4 48 81 A R H X S+ 0 0 78 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 98.7 55.8 -58.3 -39.1 31.2 34.4 21.1 49 82 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.946 109.0 47.8 -55.7 -46.4 27.6 35.7 21.6 50 83 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.917 110.2 51.5 -60.6 -41.8 28.0 34.7 25.2 51 84 A Q H X S+ 0 0 58 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 107.7 53.2 -61.1 -39.0 31.4 36.4 25.4 52 85 A N H X S+ 0 0 44 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.887 110.0 48.4 -63.8 -38.7 29.8 39.5 23.9 53 86 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 108.4 52.5 -68.0 -42.5 27.2 39.4 26.7 54 87 A V H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.909 105.2 56.5 -61.4 -38.6 29.8 39.0 29.4 55 88 A H H X S+ 0 0 59 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.917 108.7 45.8 -58.6 -46.1 31.7 42.0 28.1 56 89 A K H X S+ 0 0 61 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.843 110.3 54.4 -66.8 -34.7 28.5 44.2 28.5 57 90 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 106.2 51.9 -66.0 -38.1 27.9 42.7 32.0 58 91 A K H X S+ 0 0 19 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.865 110.5 49.1 -63.1 -42.2 31.5 43.7 33.1 59 92 A E H X S+ 0 0 28 -4,-1.6 4,-1.3 2,-0.2 162,-0.2 0.909 110.9 48.6 -66.4 -42.6 30.9 47.2 32.0 60 93 A A H < S+ 0 0 25 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 111.7 50.2 -59.3 -43.4 27.6 47.4 33.8 61 94 A Y H < S+ 0 0 38 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 111.8 48.0 -64.2 -38.3 29.3 46.0 36.9 62 95 A L H < S+ 0 0 14 -4,-2.3 159,-1.6 -5,-0.1 -1,-0.2 0.720 89.9 111.8 -71.9 -24.2 32.1 48.6 36.7 63 96 A S S >< S- 0 0 21 -4,-1.3 3,-2.1 157,-0.3 -3,-0.1 -0.110 80.8-119.2 -55.2 148.8 29.6 51.5 36.1 64 97 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.826 115.9 52.1 -58.0 -26.2 29.2 54.1 38.9 65 98 A T T 3 S+ 0 0 104 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.155 76.6 140.7-104.5 22.9 25.6 53.0 39.1 66 99 A N < - 0 0 50 -3,-2.1 -5,-0.1 -5,-0.2 -6,-0.0 -0.414 32.3-169.8 -53.8 135.4 26.3 49.3 39.5 67 100 A R + 0 0 165 -2,-0.1 2,-0.5 65,-0.1 -1,-0.1 0.410 47.9 113.0-109.5 -1.5 23.9 47.7 42.0 68 101 A I - 0 0 10 1,-0.1 4,-0.1 -7,-0.1 64,-0.1 -0.656 45.9-167.8 -76.5 124.8 25.5 44.3 42.4 69 102 A K + 0 0 159 -2,-0.5 -1,-0.1 2,-0.1 3,-0.0 0.824 57.0 88.4 -81.1 -39.5 26.9 44.0 45.9 70 103 A Q S S- 0 0 44 1,-0.1 2,-0.6 59,-0.1 -2,-0.0 -0.277 85.7-109.6 -60.7 144.1 29.0 40.9 45.6 71 104 A K - 0 0 153 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.699 37.8-170.8 -71.7 122.5 32.6 41.2 44.5 72 105 A I - 0 0 3 -2,-0.6 2,-0.2 -4,-0.1 56,-0.0 -0.971 6.0-155.2-122.7 120.3 32.9 39.8 41.0 73 106 A T > - 0 0 14 -2,-0.5 4,-2.3 1,-0.1 137,-0.3 -0.463 31.8-106.6 -87.9 166.9 36.3 39.3 39.5 74 107 A N H > S+ 0 0 14 135,-1.5 4,-2.3 1,-0.2 136,-0.2 0.904 122.7 54.2 -59.0 -39.2 37.4 39.2 35.9 75 108 A E H > S+ 0 0 53 134,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 106.5 51.0 -64.3 -36.3 37.9 35.5 36.3 76 109 A M H > S+ 0 0 33 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.906 107.2 53.2 -66.4 -43.7 34.3 35.1 37.6 77 110 A F H >X S+ 0 0 0 -4,-2.3 3,-0.7 2,-0.2 4,-0.5 0.943 108.0 51.2 -53.4 -44.7 33.1 37.0 34.5 78 111 A I H >< S+ 0 0 98 -4,-2.3 3,-1.7 1,-0.3 4,-0.4 0.923 106.2 55.1 -60.1 -41.9 34.9 34.6 32.3 79 112 A Q H >< S+ 0 0 99 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.776 96.4 66.4 -61.6 -29.5 33.3 31.7 34.2 80 113 A M H S+ 0 0 101 -3,-0.7 4,-3.3 -4,-0.4 5,-0.2 0.946 111.7 46.3 -67.2 -49.2 29.4 28.9 29.9 83 116 A P H > S+ 0 0 16 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.885 114.9 48.5 -63.6 -32.6 26.1 29.4 31.7 84 117 A I H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 3,-0.4 0.955 113.1 48.0 -67.4 -46.2 25.2 32.2 29.4 85 118 A Y H >< S+ 0 0 49 -4,-2.9 3,-1.5 -5,-0.3 -1,-0.2 0.938 110.3 52.2 -55.6 -47.6 26.1 30.1 26.4 86 119 A D H 3< S+ 0 0 104 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.9 52.4 -62.7 -29.8 24.1 27.2 27.8 87 120 A S H 3< S+ 0 0 1 -4,-1.4 28,-1.9 -3,-0.4 -1,-0.3 0.616 82.2 114.8 -79.9 -13.8 21.1 29.4 28.3 88 121 A L E << -E 114 0D 20 -3,-1.5 2,-0.3 -4,-0.9 26,-0.3 -0.351 47.5-166.4 -65.2 140.3 21.1 30.7 24.6 89 122 A M E +E 113 0D 80 24,-2.7 24,-1.7 1,-0.2 23,-0.7 -0.895 54.0 13.3-126.9 154.7 18.0 29.7 22.6 90 123 A N E S- 0 0 102 -2,-0.3 22,-1.5 1,-0.2 2,-0.6 0.906 71.4-179.1 52.0 55.1 17.0 29.7 19.0 91 124 A V E -E 111 0D 47 20,-0.2 2,-0.4 -3,-0.2 20,-0.3 -0.799 8.8-159.1 -91.3 115.3 20.5 30.3 17.6 92 125 A D E -E 110 0D 58 18,-2.5 18,-1.8 -2,-0.6 2,-0.7 -0.790 16.7-133.0 -96.9 134.8 20.5 30.6 13.7 93 126 A R E +E 109 0D 119 -2,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.783 28.6 177.2 -79.4 119.8 23.5 30.0 11.5 94 127 A L E - 0 0 89 14,-3.5 2,-0.3 -2,-0.7 15,-0.2 0.663 54.3 -8.1 -99.3 -23.1 23.3 33.0 9.2 95 128 A G E -E 108 0D 17 13,-1.3 13,-2.3 2,-0.0 2,-0.4 -0.981 46.7-147.9-167.9 160.7 26.5 32.6 7.1 96 129 A I E -E 107 0D 51 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.994 13.8-178.2-135.1 136.6 29.8 30.8 6.5 97 130 A Y E -E 106 0D 17 9,-2.4 9,-3.3 -2,-0.4 2,-0.5 -0.989 10.3-157.8-133.9 130.3 32.9 32.2 5.0 98 131 A I E -E 105 0D 58 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.923 15.8-137.0-110.6 125.6 36.1 30.2 4.4 99 132 A N > - 0 0 2 5,-2.5 4,-1.9 -2,-0.5 3,-0.4 -0.690 15.6-153.9 -76.5 112.4 39.5 32.0 4.1 100 133 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -96,-0.0 0.664 85.9 64.3 -67.4 -12.1 41.0 30.2 1.1 101 134 A N T 4 S+ 0 0 101 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.913 126.5 6.8 -76.5 -43.7 44.5 30.9 2.3 102 135 A N T 4 S- 0 0 57 -3,-0.4 -74,-0.4 2,-0.1 -1,-0.1 0.307 95.9-123.5-116.6 0.4 44.4 29.0 5.5 103 136 A E < + 0 0 106 -4,-1.9 2,-0.1 1,-0.2 -2,-0.0 0.601 51.0 164.6 60.9 17.2 41.0 27.3 5.0 104 137 A E - 0 0 17 -5,-0.4 -5,-2.5 -77,-0.1 2,-0.6 -0.398 31.2-137.5 -64.1 133.3 39.8 28.8 8.4 105 138 A V E -DE 26 98D 2 -79,-2.8 -79,-2.3 -7,-0.2 2,-0.4 -0.875 17.1-164.4-106.0 116.5 36.0 28.6 8.6 106 139 A F E -DE 25 97D 2 -9,-3.3 -9,-2.4 -2,-0.6 2,-0.4 -0.855 2.7-163.1 -99.9 139.2 34.1 31.6 9.9 107 140 A A E -DE 24 96D 0 -83,-3.1 -83,-1.6 -2,-0.4 2,-0.5 -0.934 9.6-153.0-119.2 142.9 30.4 31.4 11.0 108 141 A L E +DE 23 95D 5 -13,-2.3 -14,-3.5 -2,-0.4 -13,-1.3 -0.974 26.1 172.4-109.4 127.0 27.9 34.2 11.6 109 142 A V E -DE 22 93D 0 -87,-2.6 -87,-2.2 -2,-0.5 2,-0.4 -0.871 21.7-156.2-130.1 160.6 25.2 33.4 14.1 110 143 A R E -DE 21 92D 72 -18,-1.8 -18,-2.5 -2,-0.3 2,-0.6 -0.964 9.9-148.8-139.2 126.5 22.4 35.1 15.9 111 144 A A E - 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0 0 9 1,-0.2 4,-0.1 -7,-0.1 -2,-0.0 -0.698 45.6-170.5 -74.6 115.2 44.8 49.1 42.6 216 102 B K + 0 0 149 -2,-0.7 -1,-0.2 2,-0.1 3,-0.0 0.820 54.6 95.4 -78.8 -32.1 43.0 50.1 45.8 217 103 B Q S S- 0 0 39 1,-0.1 2,-0.6 59,-0.0 -2,-0.0 -0.256 84.1-112.4 -59.3 142.8 41.2 53.2 44.4 218 104 B K - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.716 36.7-171.9 -73.3 118.2 37.6 52.7 43.1 219 105 B I - 0 0 3 -2,-0.6 2,-0.1 -4,-0.1 56,-0.0 -0.977 7.5-153.6-116.8 120.8 37.7 53.1 39.4 220 106 B T > - 0 0 18 -2,-0.5 4,-2.4 1,-0.1 -157,-0.3 -0.360 30.0-108.7 -88.2 166.3 34.4 53.2 37.6 221 107 B N H > S+ 0 0 15 -159,-1.6 4,-2.5 1,-0.2 -158,-0.2 0.918 122.5 54.4 -57.8 -40.2 33.5 52.3 34.0 222 108 B E H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 106.8 50.3 -63.2 -39.3 33.0 56.0 33.4 223 109 B M H > S+ 0 0 34 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.908 108.7 52.0 -63.6 -43.0 36.5 56.8 34.7 224 110 B F H >< S+ 0 0 0 -4,-2.4 3,-1.2 2,-0.2 4,-0.5 0.945 108.2 51.3 -57.7 -43.7 38.0 54.1 32.5 225 111 B I H >< S+ 0 0 98 -4,-2.5 3,-1.5 1,-0.3 4,-0.4 0.895 106.2 56.1 -58.9 -39.8 36.2 55.7 29.5 226 112 B Q H 3< S+ 0 0 109 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.672 96.1 65.6 -64.3 -25.0 37.8 59.0 30.6 227 113 B M T S+ 0 0 20 -3,-1.5 4,-2.8 -4,-0.5 -1,-0.2 0.911 90.2 46.4 -59.3 -43.4 40.8 57.0 26.6 229 115 B Q H > S+ 0 0 95 -3,-0.4 4,-3.2 -4,-0.4 5,-0.2 0.941 111.5 48.7 -71.4 -46.2 42.0 60.5 25.7 230 116 B P H > S+ 0 0 19 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.889 113.9 48.5 -60.1 -34.5 45.0 60.6 28.0 231 117 B I H >X S+ 0 0 1 -4,-2.2 4,-0.8 2,-0.2 3,-0.5 0.951 112.5 48.6 -65.2 -48.1 46.1 57.3 26.5 232 118 B Y H >< S+ 0 0 58 -4,-2.8 3,-1.5 1,-0.2 -3,-0.2 0.951 110.3 50.8 -52.9 -51.0 45.5 58.6 23.0 233 119 B D H 3< S+ 0 0 103 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.5 52.0 -61.1 -28.2 47.4 61.7 23.7 234 120 B S H << S+ 0 0 2 -4,-1.2 28,-2.1 -3,-0.5 -1,-0.3 0.580 81.9 114.8 -82.8 -14.3 50.3 59.6 25.0 235 121 B L E << -H 261 0F 20 -3,-1.5 2,-0.3 -4,-0.8 26,-0.3 -0.322 49.8-160.9 -64.0 139.6 50.6 57.3 22.0 236 122 B M E +H 260 0F 82 24,-2.9 24,-1.7 1,-0.2 23,-0.7 -0.922 58.4 7.6-121.9 150.5 53.8 57.7 20.1 237 123 B N E - 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0 0 133 -22,-1.8 2,-0.3 -23,-0.7 -22,-0.2 0.743 64.7 -32.3 -79.9 -23.8 54.8 51.6 18.3 260 146 B G E -H 236 0F 16 -24,-1.7 -24,-2.9 -93,-0.1 2,-0.3 -0.934 55.9-118.8-168.3-167.4 54.9 53.0 21.8 261 147 B F E -H 235 0F 29 -26,-0.3 2,-0.7 -2,-0.3 -26,-0.2 -0.946 26.4-110.5-150.3 161.9 53.6 55.6 24.3 262 148 B D > - 0 0 63 -28,-2.1 4,-2.4 -2,-0.3 5,-0.2 -0.892 25.1-165.1 -97.2 103.5 55.0 58.4 26.5 263 149 B K H > S+ 0 0 87 -2,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.831 87.8 52.0 -67.2 -28.8 54.7 57.1 30.1 264 150 B D H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 109.4 47.6 -70.6 -44.5 55.2 60.6 31.5 265 151 B A H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.900 113.6 49.3 -60.6 -41.7 52.5 62.2 29.4 266 152 B L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.955 110.2 51.3 -65.0 -45.6 50.2 59.3 30.3 267 153 B S H X S+ 0 0 26 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.927 110.6 47.7 -54.3 -48.8 51.0 59.8 34.0 268 154 B E H X S+ 0 0 140 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.914 113.1 48.7 -61.9 -41.5 50.3 63.5 33.9 269 155 B G H X S+ 0 0 19 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.883 112.4 47.1 -67.3 -40.9 47.0 62.9 32.1 270 156 B L H ><>S+ 0 0 2 -4,-2.8 5,-1.3 1,-0.2 3,-1.1 0.908 109.9 53.7 -68.8 -38.0 45.9 60.2 34.6 271 157 B H H ><5S+ 0 0 85 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.849 104.0 56.5 -64.1 -33.0 46.8 62.4 37.5 272 158 B K H 3<5S+ 0 0 180 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.742 100.2 59.8 -71.2 -17.5 44.7 65.2 36.1 273 159 B M T <<5S- 0 0 19 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.152 122.3-102.8 -93.2 9.3 41.7 62.7 36.1 274 160 B S T < 5S+ 0 0 97 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.777 71.0 146.3 69.2 33.8 41.9 62.3 39.9 275 161 B L < - 0 0 5 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.822 46.8-120.1 -94.5 140.7 43.6 58.9 40.0 276 162 B D > - 0 0 71 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 -0.213 25.4 -98.2 -84.4 171.6 46.0 58.5 42.9 277 163 B N H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 122.8 49.1 -53.7 -46.7 49.7 57.8 42.8 278 164 B Q H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 114.1 44.9 -60.2 -49.0 49.2 54.1 43.3 279 165 B A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.940 114.5 48.4 -60.0 -49.7 46.6 53.7 40.6 280 166 B V H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.942 110.9 50.7 -61.1 -44.7 48.5 55.8 38.1 281 167 B S H X S+ 0 0 74 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.874 114.5 43.3 -64.5 -35.9 51.7 53.9 38.6 282 168 B I H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.916 113.1 50.4 -75.9 -45.3 50.1 50.6 38.2 283 169 B L H X S+ 0 0 2 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.940 112.4 49.0 -57.0 -43.5 48.0 51.6 35.1 284 170 B V H X S+ 0 0 9 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.934 109.3 51.3 -63.8 -44.6 51.2 53.0 33.5 285 171 B A H X S+ 0 0 52 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.867 109.0 52.0 -54.1 -41.5 53.1 49.8 34.3 286 172 B K H X S+ 0 0 56 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 108.9 49.3 -67.7 -37.4 50.3 47.8 32.6 287 173 B V H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 108.5 53.6 -68.7 -40.2 50.4 50.0 29.5 288 174 B E H X S+ 0 0 97 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.906 108.3 50.6 -55.7 -43.7 54.2 49.4 29.4 289 175 B E H X S+ 0 0 98 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.877 106.5 54.6 -64.4 -39.0 53.6 45.7 29.6 290 176 B I H X S+ 0 0 23 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.934 111.2 44.9 -58.5 -45.2 51.1 45.9 26.7 291 177 B F H < S+ 0 0 21 -4,-2.2 3,-0.5 2,-0.2 -2,-0.2 0.934 111.4 52.0 -70.0 -40.3 53.7 47.6 24.5 292 178 B K H < S+ 0 0 154 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.6 46.3 -56.5 -45.9 56.5 45.2 25.5 293 179 B D H < 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.727 360.0 360.0 -68.0 -24.7 54.2 42.3 24.6 294 180 B S < 0 0 62 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.727 360.0 360.0 -69.2 360.0 53.3 43.9 21.3