==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 08-JUL-11 3SSR . COMPND 2 MOLECULE: CARBON DIOXIDE CONCENTRATING MECHANISM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR M.S.KIMBER,B.SAMBORSKA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 80.3 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 . 57 28.8 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 19 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 33.8 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+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 2 1 1 0 0 0 0 0 0 0 2 0 0 2 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 0 2 0 3 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 . 0 0 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 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 2 B P 0 0 93 0, 0.0 48,-1.2 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 169.3 16.7 35.7 59.5 2 3 B I E -A 48 0A 74 46,-0.2 46,-0.3 78,-0.1 2,-0.0 -0.646 360.0-171.5 -86.0 96.5 19.7 37.8 58.6 3 4 B A E -A 47 0A 0 44,-2.0 44,-1.8 -2,-1.1 2,-0.4 -0.252 18.1-132.0 -82.4 166.5 20.7 39.6 61.8 4 5 B V E -AB 46 77A 0 73,-2.5 73,-2.4 42,-0.2 2,-0.4 -0.971 18.9-161.9-117.1 138.4 23.3 42.3 62.3 5 6 B G E -AB 45 76A 0 40,-2.8 40,-2.8 -2,-0.4 2,-0.4 -0.966 6.0-171.0-123.5 139.1 25.8 42.0 65.1 6 7 B M E -AB 44 75A 45 69,-1.9 69,-1.7 -2,-0.4 2,-0.5 -0.989 11.7-175.2-134.2 130.8 27.8 44.9 66.6 7 8 B I E -AB 43 74A 0 36,-2.0 36,-2.5 -2,-0.4 2,-0.5 -0.992 11.3-164.5-121.5 124.7 30.7 45.1 69.0 8 9 B E E -AB 42 73A 15 65,-2.8 64,-2.3 -2,-0.5 65,-1.1 -0.920 13.0-179.9-107.2 131.2 31.9 48.5 70.1 9 10 B T E -AB 41 71A 0 32,-2.8 32,-2.1 -2,-0.5 2,-0.7 -0.760 34.6-120.2-121.5 167.0 35.2 48.9 71.8 10 11 B R E S+A 40 0A 86 60,-2.4 30,-0.2 -2,-0.3 60,-0.1 -0.956 90.9 25.2-103.1 108.1 37.4 51.6 73.3 11 12 B G S > S- 0 0 30 28,-2.1 4,-0.9 -2,-0.7 30,-0.2 -0.032 79.9-111.8 112.7 143.8 40.6 51.2 71.2 12 13 B F H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.923 108.3 57.0 -76.0 -47.0 41.3 49.9 67.7 13 14 B P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 108.4 49.1 -51.9 -45.3 43.4 46.8 68.5 14 15 B A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.846 109.8 51.4 -64.6 -35.1 40.5 45.4 70.6 15 16 B V H X S+ 0 0 1 -4,-0.9 4,-2.2 -3,-0.3 -1,-0.2 0.847 107.9 52.0 -71.9 -32.1 38.0 46.1 67.8 16 17 B V H X S+ 0 0 72 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.863 110.6 48.7 -70.2 -35.7 40.2 44.3 65.3 17 18 B E H X S+ 0 0 61 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.902 108.5 53.6 -67.5 -42.5 40.3 41.3 67.6 18 19 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.953 110.9 47.0 -54.1 -51.4 36.5 41.4 68.1 19 20 B A H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.925 112.9 48.2 -58.0 -47.5 36.1 41.3 64.3 20 21 B D H X S+ 0 0 61 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.902 113.5 47.0 -63.5 -40.8 38.6 38.5 63.9 21 22 B A H X S+ 0 0 9 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.841 111.1 53.7 -68.5 -33.1 37.0 36.4 66.7 22 23 B M H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 3,-0.2 0.941 110.7 41.5 -68.9 -51.4 33.5 37.0 65.3 23 24 B V H < S+ 0 0 55 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.759 118.0 50.2 -70.7 -23.1 34.0 35.9 61.7 24 25 B K H < S+ 0 0 153 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.751 106.1 53.9 -81.7 -26.9 36.0 32.9 63.0 25 26 B A H < S- 0 0 50 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.667 120.7 -3.0 -85.8 -15.8 33.5 31.7 65.6 26 27 B A S < S- 0 0 18 -4,-0.8 2,-2.0 2,-0.1 -1,-0.1 -0.949 89.1 -69.3-164.0 176.1 30.6 31.4 63.2 27 28 B R S S+ 0 0 211 -2,-0.3 21,-0.5 -3,-0.1 2,-0.3 -0.501 80.1 125.4 -83.2 74.2 29.2 31.9 59.8 28 29 B V E -C 47 0A 14 -2,-2.0 2,-0.5 -5,-0.3 19,-0.2 -0.918 51.6-135.5-130.5 157.4 29.2 35.7 59.6 29 30 B T E -C 46 0A 36 17,-2.6 17,-2.3 -2,-0.3 2,-0.5 -0.957 15.6-134.6-114.6 124.7 30.5 38.4 57.4 30 31 B L E +C 45 0A 64 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.681 35.3 165.0 -69.3 121.6 32.3 41.5 58.7 31 32 B V E + 0 0 10 13,-2.3 2,-0.3 -2,-0.5 14,-0.2 0.613 52.4 16.2-115.0 -21.4 30.7 44.2 56.5 32 33 B G E -C 44 0A 13 12,-1.5 12,-2.0 58,-0.1 2,-0.3 -0.954 43.4-157.7-152.6 168.2 31.6 47.4 58.4 33 34 B Y E -C 43 0A 90 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.949 22.1-160.0-151.1 125.5 33.7 49.3 60.9 34 35 B E E -C 42 0A 72 8,-3.0 8,-2.9 -2,-0.3 2,-0.4 -0.949 8.8-165.5-124.6 124.5 32.4 52.5 62.4 35 36 B K E +C 41 0A 136 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.894 17.8 160.8-103.5 134.3 34.3 55.3 64.1 36 37 B I E - 0 0 102 4,-1.8 5,-0.1 -2,-0.4 -1,-0.1 0.338 50.2-102.7-134.4 2.8 32.3 57.8 66.2 37 38 B G E > S+C 40 0A 43 3,-0.7 3,-2.7 1,-0.0 -1,-0.3 -0.344 91.1 81.1 102.8 177.7 34.9 59.5 68.5 38 39 B S T 3 S- 0 0 104 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.775 124.9 -67.3 52.1 26.6 36.0 59.3 72.1 39 40 B G T 3 S+ 0 0 43 1,-0.2 -28,-2.1 -29,-0.1 2,-0.5 0.650 100.4 141.4 70.5 15.3 38.0 56.2 71.1 40 41 B R E < +AC 10 37A 73 -3,-2.7 -4,-1.8 -30,-0.2 -3,-0.7 -0.799 21.7 169.1 -95.1 125.4 34.8 54.3 70.4 41 42 B V E -AC 9 35A 13 -32,-2.1 -32,-2.8 -2,-0.5 2,-0.4 -0.992 16.8-152.3-136.2 144.6 34.7 52.0 67.3 42 43 B T E -AC 8 34A 20 -8,-2.9 -8,-3.0 -2,-0.3 2,-0.5 -0.936 5.1-155.4-120.9 137.0 32.3 49.4 66.2 43 44 B V E -AC 7 33A 5 -36,-2.5 -36,-2.0 -2,-0.4 2,-0.4 -0.941 17.7-157.7-103.3 133.1 32.6 46.3 64.1 44 45 B I E -AC 6 32A 5 -12,-2.0 -13,-2.3 -2,-0.5 -12,-1.5 -0.930 9.9-175.4-115.0 132.1 29.5 45.1 62.3 45 46 B V E -AC 5 30A 0 -40,-2.8 -40,-2.8 -2,-0.4 2,-0.4 -0.915 10.4-150.8-124.0 153.6 28.7 41.6 61.1 46 47 B R E +AC 4 29A 8 -17,-2.3 -17,-2.6 -2,-0.3 2,-0.3 -0.935 38.3 102.5-122.2 146.7 25.9 40.1 59.1 47 48 B G E -AC 3 28A 8 -44,-1.8 -44,-2.0 -2,-0.4 -19,-0.1 -0.957 69.9 -35.8 168.0-178.7 24.6 36.6 59.2 48 49 B D E > -A 2 0A 91 -21,-0.5 4,-2.9 -2,-0.3 5,-0.2 -0.220 62.0-111.2 -57.3 156.6 21.8 34.3 60.5 49 50 B V H > S+ 0 0 30 -48,-1.2 4,-2.2 1,-0.2 5,-0.1 0.921 118.1 45.4 -59.1 -47.9 20.6 35.2 63.9 50 51 B S H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.836 114.2 49.4 -66.9 -34.7 22.0 32.1 65.6 51 52 B E H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 110.8 49.6 -68.9 -43.4 25.3 32.6 63.8 52 53 B V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.882 109.5 52.0 -65.0 -38.4 25.5 36.3 64.7 53 54 B Q H X S+ 0 0 112 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.911 110.0 48.8 -61.6 -44.4 24.8 35.4 68.4 54 55 B A H X S+ 0 0 47 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.914 115.5 44.6 -59.5 -44.6 27.6 32.8 68.4 55 56 B S H X S+ 0 0 0 -4,-2.2 4,-3.5 2,-0.2 -2,-0.2 0.881 109.9 52.0 -72.5 -41.9 30.0 35.3 66.9 56 57 B V H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.924 111.2 50.1 -60.1 -43.1 29.2 38.3 69.0 57 58 B A H X S+ 0 0 52 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.926 113.9 43.8 -60.3 -47.6 29.7 36.1 72.1 58 59 B A H X S+ 0 0 26 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.943 112.4 54.6 -60.1 -48.6 33.1 34.9 70.8 59 60 B G H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.890 109.5 46.3 -52.5 -45.6 33.9 38.5 69.8 60 61 B V H X S+ 0 0 27 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.921 111.5 49.6 -68.3 -45.5 33.3 39.9 73.3 61 62 B D H X S+ 0 0 96 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.911 116.1 43.8 -58.3 -43.6 35.2 37.2 75.2 62 63 B S H >X S+ 0 0 21 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.911 110.7 53.2 -69.8 -44.6 38.2 37.6 72.9 63 64 B A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.845 104.3 56.5 -59.6 -35.9 38.1 41.5 72.9 64 65 B K H 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.3 5,-0.2 0.706 102.5 57.0 -72.6 -17.4 38.1 41.6 76.7 65 66 B R H << S+ 0 0 184 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.598 82.0 109.1 -88.1 -11.7 41.3 39.5 76.7 66 67 B V S X< S- 0 0 34 -3,-1.0 3,-2.9 -4,-0.5 2,-0.4 -0.399 86.9 -99.4 -63.9 137.6 43.2 42.1 74.5 67 68 B N T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.459 112.1 2.6 -59.0 116.4 45.8 44.0 76.4 68 69 B G T 3 S+ 0 0 70 -2,-0.4 -1,-0.3 1,-0.2 -54,-0.1 0.715 102.2 156.8 73.6 18.8 44.2 47.3 77.3 69 70 B G < + 0 0 22 -3,-2.9 2,-0.3 -5,-0.2 -1,-0.2 -0.380 17.5 176.2 -73.0 156.8 41.0 45.9 75.7 70 71 B E - 0 0 84 -60,-0.1 -60,-2.4 -59,-0.1 2,-0.5 -0.812 20.1-150.9-167.6 117.0 37.6 47.3 76.7 71 72 B V E +B 9 0A 37 -2,-0.3 -62,-0.3 -62,-0.2 3,-0.1 -0.842 13.5 179.6 -95.6 126.0 34.1 46.6 75.3 72 73 B L E - 0 0 46 -64,-2.3 2,-0.3 -2,-0.5 -63,-0.2 0.909 60.8 -15.9 -91.3 -51.9 31.7 49.5 75.6 73 74 B S E -B 8 0A 58 -65,-1.1 -65,-2.8 2,-0.0 -1,-0.3 -0.991 53.4-167.6-152.7 156.3 28.5 48.2 74.1 74 75 B T E +B 7 0A 65 -2,-0.3 2,-0.3 -67,-0.2 -67,-0.2 -0.979 7.9 174.9-140.6 157.0 27.1 45.4 72.0 75 76 B H E -B 6 0A 116 -69,-1.7 -69,-1.9 -2,-0.3 2,-0.5 -0.936 17.4-155.5-164.0 144.0 23.9 44.6 70.2 76 77 B I E -B 5 0A 45 -2,-0.3 2,-0.5 -71,-0.2 -71,-0.2 -0.981 7.8-164.8-118.6 126.1 22.2 42.1 67.9 77 78 B I E -B 4 0A 50 -73,-2.4 -73,-2.5 -2,-0.5 -2,-0.0 -0.962 4.6-162.2-109.2 119.3 19.3 43.0 65.6 78 79 B A S S+ 0 0 41 -2,-0.5 -1,-0.2 1,-0.3 -29,-0.1 0.962 82.7 16.8 -69.8 -54.3 17.5 39.9 64.3 79 80 B R S S- 0 0 205 -76,-0.1 -1,-0.3 -78,-0.1 2,-0.2 -0.732 80.3-159.2-121.3 81.3 15.6 41.4 61.4 80 81 B P - 0 0 17 0, 0.0 -78,-0.1 0, 0.0 5,-0.1 -0.423 27.7-110.8 -63.4 128.2 17.1 44.8 60.6 81 82 B H >> - 0 0 130 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.276 21.4-122.0 -57.4 142.9 14.6 47.0 58.7 82 83 B E H >> S+ 0 0 134 1,-0.3 4,-0.8 2,-0.2 3,-0.6 0.792 107.6 70.3 -59.6 -31.6 15.6 47.6 55.1 83 84 B N H >4 S+ 0 0 100 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.857 92.6 58.4 -51.5 -39.7 15.5 51.3 55.6 84 85 B L H X> S+ 0 0 55 -3,-1.2 4,-2.9 1,-0.2 3,-2.1 0.871 93.2 64.8 -62.3 -40.0 18.6 51.0 57.8 85 86 B E H << S+ 0 0 35 -4,-0.7 6,-0.4 -3,-0.6 -1,-0.2 0.842 102.8 50.8 -49.7 -36.5 20.7 49.5 55.1 86 87 B Y T << S+ 0 0 177 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.478 119.5 32.0 -87.0 -6.0 20.4 52.7 53.2 87 88 B V T <4 S+ 0 0 109 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.679 113.9 50.3-119.4 -30.4 21.5 55.0 56.0 88 89 B L S >< S- 0 0 81 -4,-2.9 2,-1.7 1,-0.0 3,-0.9 -0.730 82.9-108.2-118.6 158.9 24.0 53.1 58.1 89 90 B P T 3 S+ 0 0 46 0, 0.0 -45,-0.1 0, 0.0 -4,-0.1 -0.260 90.6 99.5 -80.0 50.1 27.2 51.0 57.5 90 91 B I T 3 + 0 0 10 -2,-1.7 -5,-0.1 -6,-0.3 2,-0.1 0.501 60.3 97.4-104.9 -11.3 25.5 47.7 58.2 91 92 B R S < S- 0 0 125 -3,-0.9 -45,-0.0 -6,-0.4 2,-0.0 -0.421 83.8-102.5 -78.1 149.8 25.0 46.9 54.6 92 93 B Y - 0 0 72 -2,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.361 35.3-142.7 -60.0 149.0 27.3 44.6 52.6 93 94 B T > - 0 0 50 1,-0.1 4,-1.8 -4,-0.1 3,-0.2 -0.891 22.0-119.1-112.6 150.4 29.7 46.5 50.3 94 95 B E H > S+ 0 0 118 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.860 117.4 64.6 -54.2 -32.1 30.7 45.3 46.8 95 96 B A H > S+ 0 0 70 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.973 109.4 33.5 -49.4 -62.0 34.1 45.2 48.5 96 97 B V H 4 S+ 0 0 31 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.601 114.6 64.0 -74.6 -11.0 33.1 42.5 51.0 97 98 B E H < S+ 0 0 109 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.965 94.2 55.7 -72.7 -55.3 30.9 41.0 48.3 98 99 B Q H < 0 0 156 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.819 360.0 360.0 -46.9 -35.8 33.7 40.1 45.9 99 100 B F < 0 0 192 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.941 360.0 360.0 -80.3 360.0 35.2 38.2 48.8 100 !* 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 0.0 101 3 A I 0 0 110 0, 0.0 46,-0.2 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 125.2 58.3 41.5 34.8 102 4 A A E -D 146 0B 1 44,-1.3 44,-1.4 76,-0.1 2,-0.4 -0.145 360.0-141.4 -68.3 157.0 57.1 42.3 31.3 103 5 A V E -DE 145 176B 2 73,-2.3 73,-2.4 42,-0.2 2,-0.4 -0.975 13.5-166.4-120.7 135.9 54.2 44.6 30.5 104 6 A G E -DE 144 175B 0 40,-2.7 40,-2.5 -2,-0.4 2,-0.4 -0.962 5.2-172.7-123.7 140.9 51.7 44.0 27.7 105 7 A M E -DE 143 174B 45 69,-1.9 69,-1.7 -2,-0.4 2,-0.5 -0.993 13.0-175.4-139.0 133.2 49.3 46.5 26.2 106 8 A I E -DE 142 173B 0 36,-1.7 36,-2.2 -2,-0.4 2,-0.5 -0.995 11.7-164.1-124.9 124.3 46.4 46.3 23.8 107 9 A E E +DE 141 172B 15 65,-3.3 64,-2.7 -2,-0.5 65,-1.4 -0.936 13.3 177.9-108.0 127.6 44.7 49.5 22.8 108 10 A T E -DE 140 170B 0 32,-2.8 32,-2.3 -2,-0.5 2,-0.6 -0.747 34.3-123.5-117.7 166.9 41.3 49.3 21.1 109 11 A R E S+D 139 0B 89 60,-1.9 60,-0.5 -2,-0.3 30,-0.2 -0.975 89.0 35.1-105.1 112.5 38.8 51.8 19.8 110 12 A G S > S- 0 0 30 28,-1.8 4,-0.8 -2,-0.6 30,-0.2 -0.079 78.4-118.2 116.3 141.7 35.6 50.7 21.7 111 13 A F H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.1 3,-0.4 0.927 106.5 56.8 -79.5 -48.7 35.0 49.4 25.2 112 14 A P H > S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.898 108.9 49.8 -49.7 -43.2 33.5 45.9 24.4 113 15 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.853 108.5 51.1 -66.0 -35.6 36.6 45.1 22.4 114 16 A V H X S+ 0 0 2 -4,-0.8 4,-2.4 -3,-0.4 -1,-0.2 0.870 108.6 52.3 -72.1 -32.5 39.0 46.1 25.1 115 17 A V H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 111.4 46.5 -68.3 -39.4 37.1 44.0 27.6 116 18 A E H X S+ 0 0 65 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.935 108.7 55.4 -66.7 -46.5 37.4 41.0 25.2 117 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.946 110.7 46.2 -47.5 -52.4 41.1 41.8 24.7 118 20 A A H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.899 112.3 49.3 -60.6 -43.8 41.6 41.6 28.5 119 21 A D H X S+ 0 0 67 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.941 112.8 47.1 -61.6 -47.6 39.6 38.4 28.9 120 22 A A H X S+ 0 0 9 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.858 111.2 52.8 -61.5 -36.9 41.5 36.7 26.1 121 23 A M H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.939 110.7 43.6 -66.4 -49.7 44.9 37.8 27.6 122 24 A V H < S+ 0 0 63 -4,-2.2 5,-0.3 1,-0.2 -1,-0.2 0.761 117.1 48.4 -69.3 -25.7 44.3 36.5 31.1 123 25 A K H < S+ 0 0 155 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.766 106.0 56.5 -83.2 -27.4 42.9 33.2 29.7 124 26 A A H < S- 0 0 48 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.769 119.8 -9.9 -78.8 -26.8 45.7 32.6 27.2 125 27 A A S < S- 0 0 17 -4,-1.1 2,-1.8 -5,-0.1 -1,-0.1 -0.935 87.2 -68.0-161.3 177.6 48.7 32.7 29.6 126 28 A R S S+ 0 0 200 -2,-0.3 21,-0.5 -3,-0.1 2,-0.3 -0.565 77.9 126.4 -84.4 79.3 49.9 33.4 33.1 127 29 A V E -F 146 0B 12 -2,-1.8 2,-0.5 -5,-0.3 19,-0.2 -0.933 52.6-132.9-129.4 154.9 49.5 37.2 33.2 128 30 A T E -F 145 0B 17 17,-2.7 17,-2.3 -2,-0.3 2,-0.6 -0.948 16.4-133.9-108.5 124.8 47.7 39.6 35.6 129 31 A L E +F 144 0B 64 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.697 30.2 176.3 -70.4 119.1 45.5 42.3 34.2 130 32 A V E - 0 0 4 13,-2.7 2,-0.3 -2,-0.6 62,-0.3 0.654 50.3 -30.5-104.7 -19.6 46.7 45.2 36.3 131 33 A G E -F 143 0B 21 12,-1.4 12,-2.5 58,-0.1 2,-0.3 -0.999 43.5-122.5-176.0-179.6 44.7 48.0 34.8 132 34 A Y E -F 142 0B 124 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.993 20.9-155.2-146.9 147.2 42.9 49.9 32.0 133 35 A E E -F 141 0B 74 8,-2.8 8,-2.6 -2,-0.3 2,-0.4 -0.983 5.2-160.1-134.2 128.1 43.4 53.3 30.6 134 36 A K E +F 140 0B 138 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.879 16.4 166.0-103.8 137.0 41.1 55.8 28.8 135 37 A I E - 0 0 101 4,-2.1 5,-0.1 -2,-0.4 -1,-0.1 0.377 49.4-106.0-130.4 2.9 42.7 58.6 26.8 136 38 A G E > S+F 139 0B 42 3,-0.6 3,-2.2 1,-0.0 -1,-0.3 -0.268 91.6 80.7 97.6 175.7 39.7 59.8 24.7 137 39 A S T 3 S- 0 0 102 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.793 126.4 -66.7 56.5 27.2 38.8 59.5 21.0 138 40 A G T 3 S+ 0 0 42 1,-0.2 -28,-1.8 -29,-0.1 2,-0.6 0.614 99.1 142.5 70.8 15.2 37.4 56.1 22.0 139 41 A R E < +DF 109 136B 74 -3,-2.2 -4,-2.1 -30,-0.2 -3,-0.6 -0.788 20.3 168.3 -97.3 120.2 40.9 54.8 22.7 140 42 A V E -DF 108 134B 13 -32,-2.3 -32,-2.8 -2,-0.6 2,-0.4 -0.990 16.3-156.0-132.8 141.1 41.2 52.5 25.7 141 43 A T E -DF 107 133B 18 -8,-2.6 -8,-2.8 -2,-0.4 2,-0.4 -0.924 4.5-155.9-119.8 137.5 44.1 50.3 26.8 142 44 A V E -DF 106 132B 5 -36,-2.2 -36,-1.7 -2,-0.4 2,-0.5 -0.949 16.9-156.0-107.2 135.9 44.2 47.1 28.9 143 45 A I E -DF 105 131B 6 -12,-2.5 -13,-2.7 -2,-0.4 -12,-1.4 -0.941 11.6-177.8-120.0 128.2 47.5 46.4 30.6 144 46 A V E -DF 104 129B 0 -40,-2.5 -40,-2.7 -2,-0.5 2,-0.3 -0.883 9.9-153.9-120.2 154.7 48.8 43.0 31.8 145 47 A R E +DF 103 128B 10 -17,-2.3 -17,-2.7 -2,-0.3 2,-0.3 -0.935 37.4 100.5-123.3 151.6 52.0 41.9 33.7 146 48 A G E S-DF 102 127B 8 -44,-1.4 -44,-1.3 -2,-0.3 -19,-0.1 -0.941 72.5 -29.5 162.7-177.9 53.8 38.6 33.6 147 49 A D >> - 0 0 110 -21,-0.5 4,-3.0 -2,-0.3 3,-0.5 -0.318 63.7-112.9 -57.8 144.2 56.8 36.8 32.2 148 50 A V H 3> S+ 0 0 55 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.887 117.9 48.7 -48.6 -46.4 57.8 38.0 28.8 149 51 A S H 3> S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.859 111.7 48.9 -66.6 -35.8 56.8 34.7 27.1 150 52 A E H <> S+ 0 0 62 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.927 112.5 48.9 -64.5 -45.7 53.4 34.7 29.0 151 53 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.904 108.8 52.7 -63.1 -41.5 52.8 38.3 27.9 152 54 A Q H X S+ 0 0 109 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.940 111.6 46.6 -58.2 -47.0 53.7 37.5 24.3 153 55 A A H X S+ 0 0 48 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 114.3 47.9 -58.4 -46.0 51.2 34.6 24.3 154 56 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.878 110.7 48.9 -67.3 -41.7 48.5 36.8 25.9 155 57 A V H X S+ 0 0 10 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.924 110.2 51.5 -66.2 -42.2 48.9 39.8 23.6 156 58 A A H X S+ 0 0 54 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.902 115.4 42.4 -60.4 -40.6 48.7 37.6 20.5 157 59 A A H X S+ 0 0 26 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.891 112.4 54.1 -71.2 -42.0 45.5 36.0 21.8 158 60 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.894 109.8 47.5 -58.7 -43.4 44.1 39.3 23.0 159 61 A V H X S+ 0 0 31 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.948 112.8 47.9 -63.6 -49.9 44.6 40.8 19.5 160 62 A D H X S+ 0 0 90 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.897 115.6 44.9 -56.8 -43.9 43.0 37.9 17.7 161 63 A S H >X S+ 0 0 22 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.889 110.6 52.4 -72.8 -39.8 40.0 37.8 20.0 162 64 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.852 106.2 54.9 -62.1 -36.7 39.5 41.6 20.0 163 65 A K H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.702 101.9 58.4 -72.3 -19.3 39.4 41.6 16.2 164 66 A R H << S+ 0 0 188 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.658 83.8 109.9 -81.4 -15.8 36.7 39.0 16.2 165 67 A V S X< S- 0 0 33 -3,-0.8 3,-2.7 -4,-0.5 2,-0.6 -0.317 86.6-101.5 -62.0 138.1 34.5 41.4 18.2 166 68 A N T 3 S- 0 0 164 1,-0.3 -1,-0.1 -54,-0.0 3,-0.1 -0.504 112.2 -1.4 -59.3 109.2 31.5 42.8 16.5 167 69 A G T 3 S+ 0 0 72 -2,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.628 100.8 156.2 78.0 13.8 32.7 46.3 15.6 168 70 A G < - 0 0 22 -3,-2.7 2,-0.4 -5,-0.2 -1,-0.3 -0.500 17.8-179.5 -73.3 139.9 36.0 45.5 17.4 169 71 A E - 0 0 88 -60,-0.5 -60,-1.9 -2,-0.2 2,-0.5 -0.985 18.2-152.1-143.2 130.1 39.1 47.5 16.4 170 72 A V E +E 108 0B 36 -2,-0.4 -62,-0.3 -62,-0.2 3,-0.1 -0.903 13.4 178.6-101.1 124.9 42.7 47.2 17.6 171 73 A L E - 0 0 44 -64,-2.7 2,-0.3 -2,-0.5 -63,-0.2 0.868 61.6 -16.1 -92.6 -45.7 44.6 50.5 17.3 172 74 A S E -E 107 0B 55 -65,-1.4 -65,-3.3 2,-0.0 -1,-0.3 -0.990 52.6-169.8-158.5 159.0 48.0 49.6 18.8 173 75 A T E +E 106 0B 65 -2,-0.3 2,-0.3 -67,-0.2 -67,-0.2 -0.977 9.1 172.1-146.6 155.3 49.8 47.1 20.9 174 76 A H E -E 105 0B 116 -69,-1.7 -69,-1.9 -2,-0.3 2,-0.4 -0.936 17.3-153.8-165.9 150.3 53.2 46.8 22.6 175 77 A I E -E 104 0B 46 -2,-0.3 2,-0.5 -71,-0.2 -71,-0.2 -0.987 4.6-164.3-125.1 133.3 55.2 44.7 25.0 176 78 A I E -E 103 0B 52 -73,-2.4 -73,-2.3 -2,-0.4 -2,-0.0 -0.972 7.4-158.7-118.3 115.7 58.1 45.9 27.1 177 79 A A S S+ 0 0 37 -2,-0.5 -29,-0.2 1,-0.3 -1,-0.1 0.858 85.8 13.2 -65.7 -41.6 60.2 43.0 28.5 178 80 A R S S- 0 0 209 -76,-0.1 -1,-0.3 -75,-0.1 -76,-0.1 -0.709 81.2-157.5-136.5 81.6 61.8 44.8 31.4 179 81 A P - 0 0 16 0, 0.0 5,-0.1 0, 0.0 2,-0.0 -0.384 30.5-104.1 -62.3 135.8 60.0 48.1 32.0 180 82 A H >> - 0 0 131 1,-0.1 3,-1.7 -2,-0.1 4,-0.6 -0.335 24.9-122.8 -60.3 139.9 62.1 50.6 33.9 181 83 A E H >> S+ 0 0 106 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.802 107.5 69.8 -56.8 -32.1 61.1 50.9 37.6 182 84 A N H >4 S+ 0 0 96 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.831 91.7 60.1 -53.8 -35.1 60.5 54.6 37.1 183 85 A L H X> S+ 0 0 53 -3,-1.7 4,-2.4 1,-0.3 3,-1.5 0.865 91.9 65.1 -64.4 -37.8 57.5 53.9 35.0 184 86 A E H << S+ 0 0 29 -3,-0.7 -1,-0.3 -4,-0.6 6,-0.2 0.788 103.4 49.9 -54.3 -29.0 55.7 52.0 37.8 185 87 A Y T << S+ 0 0 178 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.588 123.1 25.2 -89.2 -14.1 55.6 55.4 39.6 186 88 A V T <4 S+ 0 0 112 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.758 112.8 55.4-118.2 -46.8 54.2 57.5 36.9 187 89 A L S < S- 0 0 88 -4,-2.4 2,-2.3 -5,-0.1 3,-0.4 -0.667 86.4-109.4 -99.2 149.8 52.2 55.4 34.4 188 90 A P S S+ 0 0 57 0, 0.0 -45,-0.1 0, 0.0 -4,-0.1 -0.260 85.9 105.6 -75.7 54.8 49.2 53.1 35.3 189 91 A I + 0 0 12 -2,-2.3 2,-0.2 -6,-0.3 -5,-0.1 0.271 52.6 107.0-112.9 6.9 51.1 49.8 34.6 190 92 A R S S- 0 0 108 -3,-0.4 2,-0.2 -6,-0.2 -47,-0.1 -0.559 81.9 -98.3 -89.6 149.5 51.6 48.8 38.3 191 93 A Y - 0 0 43 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.498 50.5-143.5 -57.1 126.5 49.8 46.0 40.2 192 94 A T > - 0 0 35 -62,-0.3 4,-2.4 -2,-0.2 5,-0.2 -0.366 19.4-104.4 -93.5 176.0 47.1 47.9 42.1 193 95 A E H > S+ 0 0 127 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.979 122.5 44.4 -61.1 -60.0 45.7 47.3 45.6 194 96 A A H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.898 113.9 54.8 -49.2 -44.6 42.5 45.8 44.3 195 97 A V H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.905 105.6 46.9 -61.3 -48.6 44.5 43.7 41.9 196 98 A E H < S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.674 107.1 59.7 -74.7 -12.4 47.0 42.1 44.4 197 99 A Q H < S+ 0 0 169 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.789 102.1 53.3 -79.0 -29.5 44.0 41.2 46.7 198 100 A F H < 0 0 164 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.1 0.896 360.0 360.0 -65.9 -42.0 42.6 39.2 43.8 199 101 A R < 0 0 154 -4,-1.6 -2,-0.2 -71,-0.0 -3,-0.1 0.975 360.0 360.0 -61.4 360.0 45.9 37.3 43.6