==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-APR-08 3CWY . COMPND 2 MOLECULE: PROTEIN CAGD; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR L.CENDRON,G.ZANOTTI,ANGELINI A.,BARISON N.,M.COUTURIER, . 130 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 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 . 27 20.8 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 10 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 0 0 0 0 1 0 0 0 0 1 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 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 47 A E 0 0 92 0, 0.0 36,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -96.0 13.1 -5.7 -10.3 2 48 A V - 0 0 96 34,-0.3 34,-3.5 36,-0.3 0, 0.0 -0.475 360.0-147.7 -55.8 127.6 14.3 -4.9 -13.8 3 49 A N - 0 0 89 32,-0.3 32,-0.2 -2,-0.2 -1,-0.1 -0.859 16.6-174.0-111.5 95.4 11.8 -6.8 -15.9 4 50 A P - 0 0 58 0, 0.0 30,-0.3 0, 0.0 -1,-0.1 0.624 13.5-148.2 -44.9-145.8 13.2 -8.1 -19.3 5 51 A D + 0 0 104 1,-0.3 2,-0.4 28,-0.1 30,-0.0 0.297 61.8 66.3-167.1 -32.4 10.8 -9.7 -21.8 6 52 A I + 0 0 56 1,-0.1 4,-0.3 28,-0.0 -1,-0.3 -0.930 33.2 174.5-126.4 134.0 12.4 -12.4 -23.8 7 53 A I + 0 0 7 -2,-0.4 2,-1.3 1,-0.2 -1,-0.1 0.527 66.8 94.9-102.0 -19.7 13.9 -15.9 -22.9 8 54 A K S S+ 0 0 177 3,-0.0 -1,-0.2 1,-0.0 3,-0.1 0.167 95.4 45.4 -60.6 27.0 14.6 -16.9 -26.5 9 55 A D S S+ 0 0 97 -2,-1.3 -2,-0.1 1,-0.4 -1,-0.0 0.161 95.5 33.0-135.2-117.9 17.9 -15.5 -25.5 10 56 A E S S- 0 0 102 -4,-0.3 -1,-0.4 1,-0.1 2,-0.1 -0.042 76.4-108.5 -54.2 157.2 20.3 -15.7 -22.6 11 57 A V - 0 0 121 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.423 30.7-156.1 -85.9 164.1 20.5 -18.9 -20.6 12 58 A F - 0 0 21 -2,-0.1 2,-0.7 2,-0.1 6,-0.1 -0.995 22.5-140.9-145.3 136.8 19.2 -19.2 -17.0 13 59 A D S S+ 0 0 163 -2,-0.3 2,-0.3 4,-0.1 -2,-0.0 -0.316 73.3 105.2 -91.7 51.2 20.0 -21.5 -14.1 14 60 A F > - 0 0 38 -2,-0.7 4,-1.8 1,-0.1 5,-0.2 -0.991 64.7-144.0-133.6 137.7 16.2 -21.8 -13.2 15 61 A V H >>S+ 0 0 69 -2,-0.3 4,-4.0 1,-0.2 5,-0.6 0.907 98.0 59.8 -74.5 -41.7 13.9 -24.8 -13.8 16 62 A I H >>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 4,-1.6 0.904 111.1 45.6 -49.9 -40.6 10.8 -22.9 -14.6 17 63 A V H 4>S+ 0 0 0 3,-0.2 5,-1.8 4,-0.2 -1,-0.2 0.909 120.4 36.4 -72.5 -39.9 12.7 -21.4 -17.4 18 64 A N H <5S+ 0 0 57 -4,-1.8 -2,-0.2 3,-0.1 -3,-0.2 0.907 125.7 37.6 -80.2 -34.9 14.3 -24.6 -18.7 19 65 A R H <5S+ 0 0 110 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.2 0.790 135.9 2.8 -89.8 -33.1 11.3 -26.9 -18.1 20 66 A V T >< + 0 0 94 73,-0.3 3,-2.6 1,-0.1 4,-0.5 -0.523 69.1 170.4-120.3 66.0 4.0 -18.6 -28.3 27 73 A L G X S+ 0 0 28 -3,-1.0 3,-0.7 -2,-0.3 -1,-0.1 0.714 77.3 60.2 -46.0 -28.7 5.3 -17.1 -25.0 28 74 A K G > S+ 0 0 154 1,-0.2 3,-2.0 2,-0.2 -1,-0.3 0.807 85.2 75.2 -76.1 -24.8 3.8 -13.8 -25.9 29 75 A H G < S+ 0 0 53 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 100.0 48.0 -53.1 -26.8 0.1 -15.2 -26.1 30 76 A Y G < S- 0 0 3 -3,-0.7 22,-3.1 -4,-0.5 -1,-0.3 0.184 109.7-116.6-108.1 12.9 0.2 -15.3 -22.3 31 77 A D < - 0 0 71 -3,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.897 30.8-147.8 52.0 54.0 1.6 -11.8 -21.4 32 78 A P - 0 0 28 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.294 13.6-167.7 -57.2 111.6 4.7 -13.1 -19.7 33 79 A X E +A 50 0A 86 17,-2.7 17,-2.4 -3,-0.2 2,-0.4 -0.936 16.2 172.9 -98.3 116.2 5.4 -10.6 -17.0 34 80 A I E -A 49 0A 7 -2,-0.7 2,-0.3 -30,-0.3 15,-0.2 -0.915 13.2-177.5-135.0 106.5 8.9 -11.4 -15.9 35 81 A E E -A 48 0A 49 13,-2.1 13,-2.7 -2,-0.4 2,-0.4 -0.746 21.0-136.2 -97.0 148.7 10.9 -9.4 -13.4 36 82 A K E -A 47 0A 45 -34,-3.5 2,-0.5 -2,-0.3 -34,-0.3 -0.874 20.6-129.9-104.5 145.0 14.5 -10.3 -12.5 37 83 A I E +A 46 0A 33 9,-3.2 8,-2.8 -2,-0.4 9,-0.9 -0.798 56.4 78.3-107.9 131.2 15.5 -10.2 -8.9 38 84 A F + 0 0 49 -2,-0.5 -36,-0.3 1,-0.3 5,-0.2 -0.800 44.7 83.8 152.6 169.6 18.6 -8.4 -7.5 39 85 A D + 0 0 127 3,-0.4 -1,-0.3 -2,-0.2 4,-0.2 0.944 61.8 106.5 65.1 86.6 19.8 -5.0 -6.6 40 86 A E S S- 0 0 113 2,-0.8 3,-0.1 -3,-0.1 -3,-0.0 0.137 119.8 -55.4-170.8 16.3 18.3 -4.7 -3.1 41 87 A K S S+ 0 0 205 1,-0.7 2,-0.1 0, 0.0 0, 0.0 -0.087 135.3 76.9 99.2 -23.1 21.4 -5.0 -1.1 42 88 A G S S- 0 0 34 0, 0.0 -2,-0.8 0, 0.0 -1,-0.7 -0.242 76.0-138.3 -94.0-169.2 21.8 -8.3 -3.1 43 89 A K - 0 0 158 -5,-0.2 -5,-0.2 -4,-0.2 -6,-0.0 -0.528 64.1 -21.5-167.0 89.7 23.0 -8.7 -6.7 44 90 A E S S+ 0 0 130 -2,-0.1 -6,-0.2 2,-0.1 -1,-0.1 0.952 82.3 127.6 71.2 96.2 21.5 -11.0 -9.4 45 91 A X + 0 0 67 -8,-2.8 2,-0.2 1,-0.4 -7,-0.2 0.604 51.6 27.8-145.1 -54.9 19.7 -13.9 -7.6 46 92 A G E -A 37 0A 1 -9,-0.9 -9,-3.2 22,-0.2 -1,-0.4 -0.724 52.2-137.2-124.3 174.2 16.1 -14.8 -8.4 47 93 A L E -AB 36 67A 1 20,-1.9 20,-3.3 -11,-0.2 2,-0.6 -0.999 10.1-157.4-134.6 135.1 13.5 -14.7 -11.2 48 94 A N E -AB 35 66A 37 -13,-2.7 -13,-2.1 -2,-0.4 2,-0.4 -0.906 16.9-173.8-120.4 105.5 9.9 -13.7 -10.8 49 95 A V E +AB 34 65A 0 16,-3.0 16,-2.6 -2,-0.6 2,-0.4 -0.812 12.0 179.8-110.4 137.8 7.5 -15.0 -13.4 50 96 A E E -AB 33 64A 33 -17,-2.4 -17,-2.7 -2,-0.4 2,-0.4 -0.958 3.9-176.5-132.9 120.6 3.9 -14.4 -14.1 51 97 A I E - B 0 63A 3 12,-3.3 12,-3.1 -2,-0.4 2,-0.7 -0.937 21.2-137.5-113.2 137.9 1.9 -16.0 -16.9 52 98 A Q E - B 0 62A 0 -22,-3.1 10,-0.2 -2,-0.4 6,-0.1 -0.811 13.5-172.3 -89.3 115.9 -1.8 -15.2 -17.7 53 99 A I S S+ 0 0 7 8,-2.7 9,-0.2 -2,-0.7 -1,-0.2 0.770 89.1 37.0 -78.5 -25.3 -3.6 -18.4 -18.5 54 100 A N > + 0 0 41 7,-1.0 3,-1.4 3,-0.2 6,-0.4 -0.776 69.9 174.4-118.7 83.3 -6.7 -16.4 -19.6 55 101 A P T 3 S+ 0 0 37 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.581 75.3 69.4 -67.6 -2.8 -5.2 -13.4 -21.3 56 102 A E T 3 S+ 0 0 168 1,-0.3 2,-0.5 -3,-0.1 -2,-0.0 0.784 108.5 34.4 -79.1 -29.4 -8.7 -12.3 -22.3 57 103 A V S X S- 0 0 70 -3,-1.4 3,-2.6 4,-0.1 4,-0.5 -0.822 95.2-130.9-128.2 93.0 -9.5 -11.6 -18.7 58 104 A K T 3 S+ 0 0 140 -2,-0.5 4,-0.1 -3,-0.3 -6,-0.0 -0.111 86.4 0.5 -50.7 133.3 -6.4 -10.2 -16.9 59 105 A D T 3 S+ 0 0 88 2,-0.2 21,-0.5 1,-0.1 3,-0.3 0.532 95.3 114.4 68.3 11.9 -5.8 -12.0 -13.6 60 106 A F S < S+ 0 0 61 -3,-2.6 19,-3.0 -6,-0.4 2,-0.3 0.878 94.4 7.2 -76.6 -35.3 -8.7 -14.3 -13.9 61 107 A F E S+ C 0 78A 0 -4,-0.5 -8,-2.7 -7,-0.2 -7,-1.0 -0.821 87.4 166.7-146.8 99.8 -6.5 -17.3 -14.2 62 108 A T E -BC 52 77A 3 15,-1.6 15,-2.3 -3,-0.3 2,-0.4 -0.795 27.3-147.9-122.8 158.3 -2.8 -16.8 -13.6 63 109 A F E -BC 51 76A 2 -12,-3.1 -12,-3.3 -2,-0.3 2,-0.4 -0.971 18.6-176.2-122.2 124.7 0.4 -18.7 -13.0 64 110 A K E -BC 50 75A 61 11,-2.0 11,-2.5 -2,-0.4 2,-0.4 -0.895 5.8-174.6-118.9 145.5 3.2 -17.3 -10.9 65 111 A S E -BC 49 74A 0 -16,-2.6 -16,-3.0 -2,-0.4 2,-0.6 -0.976 7.5-163.6-137.6 124.5 6.7 -18.7 -10.1 66 112 A I E -BC 48 73A 72 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.924 13.7-175.0-108.2 116.9 9.3 -17.3 -7.8 67 113 A S E +BC 47 72A 3 -20,-3.3 -20,-1.9 -2,-0.6 2,-0.3 -0.878 7.2 169.6-110.6 138.1 12.7 -18.6 -8.3 68 114 A T - 0 0 45 3,-3.0 -22,-0.2 -2,-0.4 -2,-0.0 -0.934 53.3 -65.3-138.7 169.1 15.8 -17.8 -6.1 69 115 A T S S- 0 0 112 -2,-0.3 -1,-0.0 1,-0.2 -23,-0.0 0.695 126.3 -5.4 -8.4 -69.3 19.3 -18.8 -5.3 70 116 A N S S+ 0 0 154 -3,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.856 124.1 49.2-112.0 -45.5 18.2 -22.2 -4.1 71 117 A K - 0 0 136 -4,-0.0 -3,-3.0 2,-0.0 2,-0.3 -0.363 52.4-159.9 -95.0 170.6 14.4 -22.7 -3.9 72 118 A Q E -C 67 0A 42 -5,-0.2 2,-0.4 -2,-0.1 15,-0.3 -0.972 6.6-160.2-143.7 136.5 11.4 -22.1 -6.3 73 119 A R E -C 66 0A 110 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.971 6.7-152.5-121.0 142.9 7.8 -21.7 -5.3 74 120 A a E -CD 65 85A 0 11,-0.7 11,-3.6 -2,-0.4 2,-0.3 -0.878 11.9-176.5-116.8 143.8 4.8 -22.1 -7.6 75 121 A F E -CD 64 84A 39 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.4 -0.988 11.8-161.2-138.1 145.8 1.3 -20.6 -7.5 76 122 A L E -CD 63 83A 0 7,-3.1 7,-2.4 -2,-0.3 2,-0.4 -0.977 8.2-161.8-123.6 141.1 -1.9 -20.8 -9.3 77 123 A S E +CD 62 82A 8 -15,-2.3 -15,-1.6 -2,-0.4 2,-0.5 -0.978 11.5 173.4-124.2 122.5 -4.8 -18.2 -9.2 78 124 A L E > S-CD 61 81A 1 3,-2.1 3,-1.5 -2,-0.4 -17,-0.2 -0.972 73.3 -22.1-127.7 115.0 -8.3 -18.8 -10.3 79 125 A R T 3 S- 0 0 159 -19,-3.0 -19,-0.1 -2,-0.5 -1,-0.1 0.899 127.5 -43.8 57.0 51.8 -11.0 -16.1 -9.7 80 126 A G T 3 S+ 0 0 75 -21,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.095 114.4 115.5 85.6 -23.8 -9.2 -14.2 -6.9 81 127 A E E < -D 78 0A 78 -3,-1.5 -3,-2.1 2,-0.0 2,-0.3 -0.711 48.3-161.9 -90.0 118.3 -8.2 -17.4 -5.1 82 128 A T E +D 77 0A 77 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.765 10.9 176.4 -99.2 141.9 -4.4 -18.2 -4.8 83 129 A R E -D 76 0A 66 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.1 -0.992 25.7-130.6-143.5 132.2 -3.0 -21.6 -4.0 84 130 A E E -D 75 0A 64 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.3 -0.482 26.5-162.7 -73.6 152.4 0.6 -22.6 -3.9 85 131 A I E -D 74 0A 29 -11,-3.6 -11,-0.7 -2,-0.1 2,-0.2 -0.999 27.0-101.0-138.6 143.5 1.5 -25.8 -5.9 86 132 A L - 0 0 123 -2,-0.3 2,-1.0 1,-0.1 5,-0.2 -0.381 37.6-127.0 -53.0 120.8 4.5 -28.1 -5.8 87 133 A a + 0 0 25 -15,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.643 56.7 130.8 -68.7 102.7 6.8 -27.3 -8.7 88 134 A D S >> S- 0 0 42 -2,-1.0 4,-2.4 1,-0.0 3,-0.9 -0.942 73.7 -89.9-144.5 174.8 7.3 -30.6 -10.5 89 135 A N H 3> S+ 0 0 101 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.777 121.6 61.0 -50.8 -34.3 7.2 -32.3 -13.9 90 136 A K H 3> S+ 0 0 157 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 109.6 41.1 -58.6 -41.5 3.5 -33.2 -13.3 91 137 A L H <> S+ 0 0 10 -3,-0.9 4,-2.7 -5,-0.2 -2,-0.2 0.876 112.6 55.6 -75.2 -40.6 2.7 -29.4 -13.1 92 138 A Y H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.892 108.2 47.1 -57.3 -44.5 5.0 -28.6 -16.0 93 139 A N H X S+ 0 0 98 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.936 112.6 49.2 -70.0 -40.1 3.3 -31.0 -18.3 94 140 A X H X S+ 0 0 57 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.897 111.1 52.3 -62.2 -40.5 -0.1 -29.7 -17.3 95 141 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.924 113.7 40.0 -61.6 -45.3 1.3 -26.2 -17.9 96 142 A L H X S+ 0 0 24 -4,-2.6 4,-4.1 2,-0.2 -2,-0.2 0.910 106.7 63.9 -75.3 -37.4 2.5 -26.9 -21.4 97 143 A A H < S+ 0 0 44 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.878 115.3 34.3 -44.9 -42.6 -0.5 -29.0 -22.2 98 144 A V H >< S+ 0 0 1 -4,-1.6 3,-1.5 -5,-0.2 4,-0.3 0.957 120.4 46.7 -80.5 -54.4 -2.4 -25.8 -21.8 99 145 A F H >< S+ 0 0 5 -4,-3.0 3,-0.6 1,-0.3 -73,-0.3 0.850 116.2 44.0 -59.0 -37.4 0.1 -23.3 -23.1 100 146 A N T 3< S+ 0 0 37 -4,-4.1 -1,-0.3 1,-0.2 -2,-0.1 0.231 100.2 68.5 -94.4 13.0 1.0 -25.2 -26.2 101 147 A S T < + 0 0 10 -3,-1.5 9,-0.4 -5,-0.2 -1,-0.2 0.376 61.2 122.4-113.9 4.5 -2.5 -26.2 -27.4 102 148 A Y < + 0 0 100 -3,-0.6 5,-0.1 -4,-0.3 3,-0.0 -0.512 29.1 141.0 -60.9 135.4 -3.9 -22.8 -28.3 103 149 A D > - 0 0 69 -2,-0.2 3,-3.3 3,-0.0 7,-0.2 -0.599 49.1-141.9 178.4 110.1 -4.9 -23.1 -32.0 104 150 A P G > S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.715 103.1 61.0 -58.1 -20.9 -8.0 -21.5 -33.5 105 151 A N G 3 S+ 0 0 143 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.583 116.7 31.6 -86.1 -6.9 -8.6 -24.5 -35.6 106 152 A D G <> + 0 0 66 -3,-3.3 4,-1.6 -5,-0.1 -1,-0.3 -0.282 66.0 146.2-141.6 63.1 -8.9 -26.5 -32.5 107 153 A L H <> S+ 0 0 89 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.841 72.9 64.7 -58.3 -35.3 -10.4 -24.4 -29.7 108 154 A L H > S+ 0 0 137 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.930 102.9 43.8 -62.0 -48.9 -12.2 -27.4 -28.4 109 155 A K H > S+ 0 0 118 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.954 115.3 49.0 -59.0 -52.0 -9.0 -29.3 -27.4 110 156 A H H >X S+ 0 0 13 -4,-1.6 4,-2.3 -9,-0.4 3,-0.8 0.963 111.1 48.0 -52.4 -58.0 -7.3 -26.2 -25.9 111 157 A I H 3X S+ 0 0 84 -4,-3.0 4,-2.2 1,-0.3 -1,-0.3 0.802 106.3 62.8 -53.6 -30.0 -10.3 -25.3 -23.8 112 158 A S H 3X S+ 0 0 73 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.3 0.935 106.0 41.2 -61.3 -46.1 -10.3 -29.0 -22.8 113 159 A T H < S+ 0 0 56 -4,-2.2 3,-2.3 1,-0.2 4,-0.5 0.922 106.0 61.2 -48.1 -47.2 -6.5 -29.7 -10.8 121 167 A F H >< S+ 0 0 0 -4,-2.7 3,-2.6 1,-0.3 -2,-0.2 0.928 100.8 48.7 -46.8 -68.8 -6.6 -26.4 -9.0 122 168 A Y H 3< S+ 0 0 105 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.601 106.6 64.9 -46.4 -11.0 -9.6 -27.2 -6.7 123 169 A T T << S+ 0 0 103 -3,-2.3 -1,-0.3 -4,-0.6 2,-0.2 0.594 71.6 115.1 -89.6 -12.4 -7.6 -30.4 -5.9 124 170 A I < - 0 0 26 -3,-2.6 2,-0.4 -4,-0.5 -40,-0.0 -0.406 39.5-179.8 -72.4 128.1 -4.6 -28.9 -4.2 125 171 A T - 0 0 99 -2,-0.2 2,-0.7 -42,-0.0 -2,-0.0 -0.972 22.0-139.4-120.7 142.9 -4.1 -29.8 -0.6 126 172 A C + 0 0 113 -2,-0.4 2,-0.3 -41,-0.0 -41,-0.0 -0.889 33.5 172.4-102.5 113.2 -1.2 -28.5 1.6 127 173 A E - 0 0 176 -2,-0.7 2,-0.2 2,-0.0 -2,-0.0 -0.868 20.0-163.7-127.0 153.2 0.1 -31.3 3.9 128 174 A A - 0 0 71 -2,-0.3 2,-0.5 0, 0.0 -2,-0.0 -0.698 30.7-108.6-118.5 169.7 2.9 -31.9 6.4 129 175 A V 0 0 143 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.906 360.0 360.0 -97.7 131.0 4.3 -35.1 7.9 130 176 A Y 0 0 279 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 0.729 360.0 360.0-100.1 360.0 3.4 -35.4 11.6