==== 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 3SSQ . COMPND 2 MOLECULE: CARBON DIOXIDE CONCENTRATING MECHANISM PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR B.SAMBORSKA,M.S.KIMBER . 602 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 77.2 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 . 173 28.7 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 46 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 27.9 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 3 0 0 0 0 0 0 0 0 0 6 2 4 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 . 5 0 0 0 0 4 6 8 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 1 5 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 1 A M 0 0 198 0, 0.0 2,-0.2 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 155.5 11.8 26.2 65.4 2 2 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 48,-0.4 -0.456 360.0-151.8 -83.5 133.8 12.5 24.7 61.9 3 3 A I - 0 0 53 -2,-0.2 46,-0.2 78,-0.1 77,-0.0 -0.862 20.1-150.0-103.2 103.2 14.8 21.8 61.3 4 4 A A E -A 48 0A 0 44,-2.0 44,-1.4 -2,-0.8 2,-0.4 -0.196 5.5-133.4 -65.2 160.1 16.3 22.1 57.8 5 5 A V E -AB 47 78A 0 73,-2.4 73,-2.2 42,-0.2 2,-0.4 -0.948 17.7-169.3-116.4 141.1 17.3 19.0 55.7 6 6 A G E -AB 46 77A 0 40,-2.3 40,-2.4 -2,-0.4 2,-0.4 -0.998 4.8-174.7-132.7 136.0 20.7 18.7 53.8 7 7 A M E -AB 45 76A 0 69,-2.0 69,-1.7 -2,-0.4 2,-0.4 -0.994 12.7-173.1-139.0 131.6 21.5 16.1 51.2 8 8 A I E -AB 44 75A 0 36,-1.7 36,-2.3 -2,-0.4 2,-0.5 -0.998 12.3-163.0-122.5 123.1 24.7 15.2 49.2 9 9 A E E -AB 43 74A 0 65,-3.5 64,-3.1 -2,-0.4 65,-1.2 -0.934 12.6-178.8-106.8 129.1 24.4 12.5 46.5 10 10 A T E -AB 42 72A 0 32,-2.7 32,-1.8 -2,-0.5 2,-0.7 -0.757 33.8-125.6-119.0 161.1 27.5 10.8 45.2 11 11 A R E S+A 41 0A 71 60,-2.4 30,-0.2 -2,-0.3 60,-0.2 -0.948 90.0 35.3-102.5 104.0 28.4 8.2 42.6 12 12 A G S > S- 0 0 0 28,-1.8 4,-0.7 -2,-0.7 30,-0.2 -0.091 78.4-118.3 122.4 140.0 30.4 5.8 44.8 13 13 A F H >> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-1.1 0.952 104.1 55.4 -74.9 -52.3 30.1 4.6 48.4 14 14 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.834 108.0 51.6 -50.4 -39.6 33.5 5.8 49.9 15 15 A A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.792 106.2 54.2 -67.3 -30.5 32.9 9.4 48.9 16 16 A V H S+C 41 0A 23 3,-0.5 3,-1.7 507,-0.1 -1,-0.3 -0.132 85.3 87.5 80.4-179.2 20.7 2.1 42.8 39 39 A S T 3 S- 0 0 28 1,-0.3 100,-0.2 -3,-0.1 3,-0.1 0.807 123.9 -60.8 53.6 34.1 22.9 2.7 39.8 40 40 A G T 3 S+ 0 0 0 98,-1.9 -28,-1.8 1,-0.2 2,-0.6 0.443 103.4 132.3 82.7 3.1 25.8 3.7 42.0 41 41 A R E < +AC 11 38A 13 -3,-1.7 -4,-2.0 97,-0.3 -3,-0.5 -0.806 26.4 170.4-100.5 117.5 23.9 6.7 43.5 42 42 A V E -AC 10 36A 0 -32,-1.8 -32,-2.7 -2,-0.6 2,-0.4 -0.958 13.0-161.0-127.8 137.0 24.0 7.1 47.3 43 43 A T E -AC 9 35A 0 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.4 -0.975 5.2-154.8-123.8 134.6 22.7 10.1 49.3 44 44 A V E -AC 8 34A 0 -36,-2.3 -36,-1.7 -2,-0.4 2,-0.4 -0.900 14.0-154.8-108.0 138.8 23.5 11.1 52.9 45 45 A I E -AC 7 33A 0 -12,-2.3 -13,-2.9 -2,-0.4 -12,-1.5 -0.971 10.3-174.8-122.5 125.5 20.9 13.3 54.8 46 46 A V E -AC 6 31A 0 -40,-2.4 -40,-2.3 -2,-0.4 2,-0.3 -0.848 8.4-154.9-115.4 152.5 21.6 15.6 57.7 47 47 A R E +AC 5 30A 6 -17,-2.2 -17,-2.4 -2,-0.3 2,-0.3 -0.960 37.3 97.8-125.6 145.4 19.1 17.6 59.9 48 48 A G E S-AC 4 29A 9 -44,-1.4 -44,-2.0 -2,-0.3 -19,-0.1 -0.973 72.4 -27.2 166.2-174.2 19.7 20.8 61.9 49 49 A D >> - 0 0 85 -21,-0.5 4,-2.3 -2,-0.3 3,-0.6 -0.397 63.8-116.8 -62.3 143.3 19.4 24.6 61.9 50 50 A V H 3> S+ 0 0 54 -48,-0.4 4,-2.1 1,-0.3 5,-0.1 0.855 114.1 51.0 -57.4 -40.0 19.4 26.0 58.4 51 51 A S H 3> S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.870 112.4 47.3 -65.4 -35.0 22.6 28.0 58.9 52 52 A E H <> S+ 0 0 66 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.859 109.6 52.9 -73.2 -35.4 24.4 24.9 60.3 53 53 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.923 106.4 53.9 -65.7 -42.4 23.1 22.6 57.4 54 54 A Q H X S+ 0 0 105 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.899 110.5 45.6 -56.0 -46.8 24.5 25.1 54.8 55 55 A A H X S+ 0 0 51 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.866 113.9 48.7 -66.2 -37.4 28.0 25.0 56.4 56 56 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 109.3 51.1 -74.2 -42.3 28.0 21.2 56.7 57 57 A V H X S+ 0 0 11 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.822 109.6 52.7 -59.7 -35.7 26.9 20.6 53.1 58 58 A A H X S+ 0 0 51 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.934 111.0 45.3 -66.6 -46.6 29.7 22.9 51.9 59 59 A A H X S+ 0 0 26 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.907 113.5 51.1 -61.3 -42.8 32.3 20.9 53.9 60 60 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.908 109.4 47.9 -64.1 -48.4 30.9 17.6 52.6 61 61 A V H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.879 114.2 48.7 -58.5 -42.8 30.9 18.5 48.9 62 62 A D H X S+ 0 0 97 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.954 115.8 41.4 -62.3 -49.1 34.4 19.8 49.2 63 63 A S H < S+ 0 0 17 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.825 113.6 52.6 -70.6 -34.5 35.8 16.7 51.1 64 64 A A H >< S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.926 106.2 53.6 -65.9 -47.8 33.9 14.2 48.9 65 65 A K H 3< S+ 0 0 134 -4,-1.8 5,-0.2 1,-0.3 -1,-0.2 0.813 105.2 56.7 -54.2 -31.6 35.3 15.8 45.7 66 66 A R T 3< S+ 0 0 188 -4,-1.1 -1,-0.3 -5,-0.1 2,-0.2 0.420 83.1 111.4 -84.0 4.7 38.7 15.3 47.2 67 67 A V S X S- 0 0 6 -3,-2.0 3,-3.3 1,-0.1 2,-0.7 -0.547 86.7-100.6 -73.9 139.1 38.2 11.5 47.6 68 68 A N B 3 S+E 176 0B 100 108,-0.7 108,-2.2 1,-0.3 -1,-0.1 -0.500 118.2 6.4 -58.6 105.5 40.3 9.2 45.4 69 69 A G T 3 S+ 0 0 36 -2,-0.7 -1,-0.3 106,-0.2 -54,-0.1 0.570 99.3 167.0 87.3 14.5 37.6 8.5 42.8 70 70 A G < + 0 0 24 -3,-3.3 2,-0.3 -5,-0.2 -1,-0.2 -0.357 11.6 177.7 -68.2 137.1 35.3 11.0 44.4 71 71 A E - 0 0 83 -60,-0.2 -60,-2.4 -59,-0.1 2,-0.5 -0.908 13.5-165.2-146.7 112.8 32.1 12.0 42.5 72 72 A V E +B 10 0A 33 -2,-0.3 -62,-0.3 -62,-0.2 3,-0.1 -0.879 10.0 175.7 -96.3 125.4 29.4 14.4 43.8 73 73 A L E - 0 0 40 -64,-3.1 2,-0.3 -2,-0.5 503,-0.3 0.876 60.4 -9.0 -99.0 -52.2 26.2 14.2 41.6 74 74 A S E -B 9 0A 0 -65,-1.2 -65,-3.5 501,-0.2 -1,-0.4 -0.981 51.4-173.5-146.8 159.6 23.7 16.5 43.4 75 75 A T E +BD 8 574A 21 499,-1.5 499,-0.6 -2,-0.3 2,-0.3 -0.953 11.4 167.6-143.8 155.2 23.2 18.5 46.6 76 76 A H E -B 7 0A 43 -69,-1.7 -69,-2.0 -2,-0.3 2,-0.4 -0.892 18.0-155.3-170.5 147.5 20.3 20.4 48.0 77 77 A I E -B 6 0A 50 -2,-0.3 2,-0.5 -71,-0.2 -71,-0.2 -0.987 3.0-161.8-125.9 133.1 19.1 22.0 51.3 78 78 A I E -B 5 0A 7 -73,-2.2 -73,-2.4 -2,-0.4 -2,-0.0 -0.976 5.1-163.7-113.7 116.4 15.4 22.6 52.3 79 79 A A S S+ 0 0 40 -2,-0.5 -29,-0.2 1,-0.3 -1,-0.1 0.907 84.1 18.6 -64.5 -47.5 15.3 25.2 55.1 80 80 A R S S- 0 0 189 -76,-0.1 -1,-0.3 -78,-0.1 -76,-0.1 -0.674 82.6-163.4-128.7 73.3 11.7 24.6 56.3 81 81 A P - 0 0 21 0, 0.0 -78,-0.1 0, 0.0 2,-0.1 -0.284 28.7-105.0 -63.6 142.7 10.6 21.1 55.0 82 82 A H > - 0 0 59 1,-0.1 3,-1.4 2,-0.0 4,-0.5 -0.426 26.0-122.7 -66.5 142.1 6.9 20.4 55.0 83 83 A E G > S+ 0 0 111 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.764 106.7 66.3 -58.7 -31.0 5.9 18.0 57.9 84 84 A N G > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.781 87.0 69.8 -62.3 -33.4 4.4 15.5 55.4 85 85 A L G X> S+ 0 0 0 -3,-1.4 4,-2.5 1,-0.2 3,-1.4 0.832 90.5 59.5 -56.5 -39.3 7.9 14.7 53.9 86 86 A E G <4 S+ 0 0 50 -3,-0.7 6,-0.2 -4,-0.5 -1,-0.2 0.745 100.5 55.1 -66.5 -25.5 9.1 12.8 57.0 87 87 A Y G <4 S+ 0 0 72 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.457 123.2 24.4 -85.3 -2.7 6.4 10.2 56.9 88 88 A V T <4 S+ 0 0 30 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.656 116.2 54.6-125.4 -54.8 7.2 9.2 53.3 89 89 A L S < S- 0 0 3 -4,-2.5 2,-1.7 -5,-0.2 3,-0.3 -0.595 86.5-113.1 -87.1 147.7 10.8 10.1 52.5 90 90 A P S S+ 0 0 47 0, 0.0 -45,-0.1 0, 0.0 -4,-0.1 -0.272 84.1 109.4 -76.9 53.2 13.8 8.8 54.7 91 91 A I + 0 0 0 -2,-1.7 2,-0.2 -6,-0.3 -5,-0.1 0.228 53.2 111.4-107.2 9.8 14.8 12.3 55.9 92 92 A R S S- 0 0 116 -3,-0.3 -47,-0.1 -6,-0.2 -45,-0.0 -0.559 74.1-102.3 -93.5 146.4 13.6 11.6 59.5 93 93 A Y - 0 0 31 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.275 33.7-148.9 -49.5 144.3 15.5 11.2 62.8 94 94 A T >> - 0 0 60 1,-0.1 3,-1.1 -61,-0.0 4,-0.5 -0.862 24.4-114.6-112.8 157.8 16.0 7.6 63.9 95 95 A E H >> S+ 0 0 162 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 0.838 113.7 62.9 -58.4 -34.9 16.2 6.6 67.6 96 96 A A H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.755 111.8 36.7 -63.1 -24.8 19.8 5.5 67.2 97 97 A V H X4 S+ 0 0 0 -3,-1.1 3,-2.0 1,-0.1 -1,-0.2 0.359 85.6 96.4-109.1 3.8 20.9 9.1 66.3 98 98 A E H X< S+ 0 0 65 -3,-0.8 3,-1.6 -4,-0.5 -2,-0.1 0.861 77.2 68.2 -61.3 -37.9 18.6 11.0 68.7 99 99 A Q T 3< S+ 0 0 114 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.648 94.0 55.9 -37.9 -33.8 21.6 11.1 70.9 100 100 A F T < 0 0 43 -3,-2.0 -1,-0.2 -69,-0.1 -2,-0.2 0.351 360.0 360.0 -95.5 7.6 23.4 13.4 68.5 101 101 A R < 0 0 151 -3,-1.6 -53,-0.1 -4,-0.2 -72,-0.0 -0.515 360.0 360.0 -77.1 360.0 20.7 16.1 68.5 102 !* 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 0.0 103 2 B P 0 0 124 0, 0.0 2,-0.7 0, 0.0 48,-0.4 0.000 360.0 360.0 360.0 111.4 40.8 6.0 67.8 104 3 B I - 0 0 66 78,-0.1 46,-0.2 46,-0.1 75,-0.0 -0.725 360.0-152.0 -96.7 111.8 39.5 3.4 65.2 105 4 B A E -F 149 0B 0 44,-2.9 44,-1.3 -2,-0.7 2,-0.4 -0.194 3.6-142.0 -75.9 164.6 40.1 4.3 61.5 106 5 B V E -FG 148 179B 0 73,-1.9 73,-2.4 42,-0.2 2,-0.4 -0.996 14.2-169.5-130.8 126.9 37.9 3.1 58.6 107 6 B G E -FG 147 178B 0 40,-2.4 40,-2.6 -2,-0.4 2,-0.4 -0.930 2.7-171.0-117.6 141.5 39.3 2.1 55.2 108 7 B M E -FG 146 177B 0 69,-2.3 69,-1.9 -2,-0.4 2,-0.5 -0.995 12.6-174.6-135.5 130.4 37.3 1.5 52.0 109 8 B I E -FG 145 176B 0 36,-1.6 36,-2.0 -2,-0.4 2,-0.5 -0.998 13.9-163.5-117.9 122.7 38.2 0.1 48.5 110 9 B E E -FG 144 175B 0 65,-3.0 64,-2.2 -2,-0.5 65,-1.3 -0.924 13.0-178.2-102.8 130.7 35.4 0.2 46.0 111 10 B T E -FG 143 173B 0 32,-3.0 32,-1.9 -2,-0.5 2,-0.6 -0.739 33.8-122.5-117.9 167.9 35.8 -1.9 42.9 112 11 B R E S+F 142 0B 61 60,-2.4 60,-0.4 -2,-0.2 30,-0.2 -0.970 89.6 29.0-107.7 108.4 33.8 -2.6 39.7 113 12 B G S > S- 0 0 0 28,-2.0 4,-0.9 -2,-0.6 30,-0.2 -0.099 78.6-113.8 113.3 146.0 33.3 -6.3 39.9 114 13 B F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.1 3,-0.3 0.923 106.8 55.6 -79.8 -48.9 33.0 -8.9 42.7 115 14 B P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.893 109.6 50.6 -51.2 -41.3 36.1 -11.1 42.4 116 15 B A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.821 107.6 51.5 -67.2 -35.8 38.3 -7.9 42.6 117 16 B V H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.867 108.3 52.8 -67.6 -35.0 36.5 -6.7 45.8 118 17 B V H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.829 111.2 47.0 -69.1 -31.9 37.1 -10.1 47.4 119 18 B E H X S+ 0 0 22 -4,-1.4 4,-3.0 -5,-0.2 5,-0.3 0.902 108.6 53.1 -73.9 -43.8 40.8 -9.8 46.5 120 19 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.953 110.6 50.1 -52.0 -48.2 41.0 -6.2 47.9 121 20 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.896 113.0 44.2 -58.7 -45.7 39.5 -7.7 51.1 122 21 B D H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.925 113.1 50.8 -65.1 -46.3 42.0 -10.5 51.3 123 22 B A H X S+ 0 0 10 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.904 111.3 50.6 -59.2 -42.7 45.0 -8.2 50.5 124 23 B M H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.3 3,-0.2 0.936 110.5 44.4 -62.2 -52.9 43.9 -5.8 53.2 125 24 B V H < S+ 0 0 8 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.810 117.4 46.5 -68.2 -28.5 43.5 -8.2 56.1 126 25 B K H < S+ 0 0 105 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.752 108.0 56.8 -79.8 -27.1 46.8 -10.0 55.3 127 26 B A H < S- 0 0 48 -4,-1.5 2,-0.3 -3,-0.2 -2,-0.2 0.674 119.6 -6.0 -81.2 -21.4 48.8 -6.7 54.8 128 27 B A S < S- 0 0 15 -4,-1.0 2,-1.5 2,-0.1 -1,-0.1 -0.949 87.1 -73.4-164.0 172.9 48.2 -5.1 58.2 129 28 B R S S+ 0 0 191 -2,-0.3 21,-0.6 -3,-0.1 2,-0.3 -0.673 77.1 125.4 -88.1 85.3 46.3 -5.5 61.5 130 29 B V E -H 149 0B 12 -2,-1.5 2,-0.5 -5,-0.3 19,-0.2 -0.931 53.4-129.7-130.7 158.5 42.8 -4.5 60.4 131 30 B T E -H 148 0B 2 17,-2.6 17,-2.6 -2,-0.3 2,-0.5 -0.970 16.4-135.6-108.4 126.5 39.4 -6.2 60.7 132 31 B L E +H 147 0B 0 -2,-0.5 15,-0.2 15,-0.2 69,-0.1 -0.731 33.6 166.1 -74.3 118.1 37.1 -6.6 57.6 133 32 B V E + 0 0 8 13,-2.3 2,-0.3 -2,-0.5 14,-0.2 0.639 49.5 23.4-110.5 -23.0 33.7 -5.6 58.9 134 33 B G E -H 146 0B 10 12,-1.4 12,-2.1 58,-0.1 2,-0.3 -0.964 39.1-159.8-157.9 161.5 31.6 -5.0 55.8 135 34 B Y E -H 145 0B 37 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.961 25.4-166.3-145.9 113.8 30.8 -5.5 52.2 136 35 B E E -H 144 0B 23 8,-2.8 8,-2.3 -2,-0.3 2,-0.4 -0.921 7.6-164.4-117.9 133.5 28.5 -2.8 50.6 137 36 B K E +H 143 0B 77 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.955 15.2 166.8-117.3 129.1 26.6 -3.0 47.2 138 37 B I - 0 0 5 4,-2.0 -98,-1.9 -2,-0.4 -97,-0.3 0.232 51.5-100.9-129.4 10.2 25.2 0.2 45.7 139 38 B G S > S+ 0 0 18 3,-0.5 3,-1.9 100,-0.3 -1,-0.3 -0.137 93.0 74.6 93.5 173.9 24.4 -1.0 42.1 140 39 B S T 3 S- 0 0 34 1,-0.3 100,-0.2 -3,-0.1 3,-0.1 0.807 125.5 -63.8 50.7 35.0 26.1 -0.6 38.7 141 40 B G T 3 S+ 0 0 0 98,-1.4 -28,-2.0 1,-0.2 2,-0.6 0.538 98.6 141.9 73.2 6.1 28.7 -3.2 39.7 142 41 B R E < +F 112 0B 14 -3,-1.9 -4,-2.0 97,-0.2 -3,-0.5 -0.734 20.6 167.6 -90.6 117.0 30.0 -1.0 42.5 143 42 B V E -FH 111 137B 0 -32,-1.9 -32,-3.0 -2,-0.6 2,-0.4 -0.988 16.0-160.8-135.0 136.2 31.0 -2.9 45.6 144 43 B T E -FH 110 136B 0 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.4 -0.940 7.0-155.0-119.1 137.7 33.0 -1.7 48.6 145 44 B V E -FH 109 135B 0 -36,-2.0 -36,-1.6 -2,-0.4 2,-0.5 -0.934 19.1-152.5-108.5 136.4 34.9 -3.7 51.3 146 45 B I E -FH 108 134B 0 -12,-2.1 -13,-2.3 -2,-0.4 -12,-1.4 -0.966 11.2-171.4-119.2 123.4 35.3 -1.8 54.6 147 46 B V E -FH 107 132B 0 -40,-2.6 -40,-2.4 -2,-0.5 2,-0.4 -0.840 6.5-156.4-110.9 153.2 38.1 -2.3 57.2 148 47 B R E +FH 106 131B 10 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.3 -0.974 38.3 92.8-124.4 142.0 38.6 -1.0 60.8 149 48 B G E S-FH 105 130B 10 -44,-1.3 -44,-2.9 -2,-0.4 2,-0.2 -0.975 73.5 -23.0 174.2-161.7 41.9 -0.6 62.7 150 49 B D > - 0 0 95 -21,-0.6 4,-2.9 -2,-0.3 3,-0.4 -0.508 63.8-115.2 -68.0 141.5 44.7 1.8 63.7 151 50 B V H > S+ 0 0 54 -48,-0.4 4,-2.1 1,-0.2 5,-0.1 0.856 115.7 46.4 -50.4 -41.5 45.1 4.6 61.1 152 51 B S H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.848 112.5 49.1 -72.6 -37.0 48.6 3.3 60.1 153 52 B E H > S+ 0 0 49 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.946 112.0 49.6 -62.6 -47.7 47.5 -0.3 59.8 154 53 B V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.868 110.0 51.2 -62.0 -38.3 44.5 0.8 57.7 155 54 B Q H X S+ 0 0 105 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.936 111.0 47.7 -64.6 -45.6 46.8 2.9 55.4 156 55 B A H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.958 114.7 47.0 -56.0 -50.3 49.1 -0.0 54.9 157 56 B S H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.849 108.0 53.1 -66.8 -37.6 46.2 -2.3 54.1 158 57 B V H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.910 110.6 49.4 -63.1 -40.0 44.4 0.0 51.7 159 58 B A H X S+ 0 0 66 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.931 113.1 46.2 -62.7 -47.3 47.6 0.3 49.7 160 59 B A H X S+ 0 0 26 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.908 113.3 50.9 -59.8 -45.4 48.0 -3.5 49.6 161 60 B G H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.895 110.7 45.5 -61.0 -46.6 44.4 -3.9 48.7 162 61 B V H X S+ 0 0 26 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.952 112.0 53.9 -61.7 -52.3 44.4 -1.5 45.7 163 62 B D H X S+ 0 0 82 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.874 114.3 39.9 -42.4 -51.5 47.6 -3.0 44.5 164 63 B S H >< S+ 0 0 32 -4,-1.9 3,-0.8 2,-0.2 4,-0.3 0.887 111.1 54.9 -76.6 -42.4 46.2 -6.5 44.4 165 64 B A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.867 102.6 58.7 -58.7 -37.3 42.7 -5.7 43.1 166 65 B K H 3< S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 5,-0.2 0.775 102.7 55.0 -67.3 -22.8 44.3 -4.0 40.1 167 66 B R T << S+ 0 0 170 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.3 0.429 80.5 110.1 -86.0 -3.2 46.0 -7.3 39.3 168 67 B V S X S- 0 0 5 -3,-1.5 3,-3.3 -4,-0.3 2,-0.5 -0.611 87.2-103.1 -69.1 133.3 42.7 -9.3 39.2 169 68 B N T 3 S+ 0 0 102 108,-0.5 108,-1.9 1,-0.3 -1,-0.1 -0.481 114.5 8.3 -55.1 110.5 41.9 -10.4 35.6 170 69 B G T 3 S+ 0 0 38 -2,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.622 101.2 157.6 85.2 17.8 39.2 -7.9 34.8 171 70 B G < + 0 0 22 -3,-3.3 2,-0.3 -5,-0.2 -1,-0.3 -0.520 17.3 178.7 -81.5 139.7 39.9 -6.0 38.0 172 71 B E - 0 0 93 -60,-0.4 -60,-2.4 -2,-0.2 2,-0.6 -0.933 19.0-155.6-146.8 121.4 38.9 -2.4 38.5 173 72 B V E + G 0 111B 30 -2,-0.3 -62,-0.3 -62,-0.2 3,-0.1 -0.846 14.8 176.0 -96.8 122.0 39.3 -0.0 41.4 174 73 B L E - 0 0 31 -64,-2.2 2,-0.3 -2,-0.6 -63,-0.2 0.820 61.4 -9.7 -95.0 -41.0 36.8 2.8 41.3 175 74 B S E - G 0 110B 0 -65,-1.3 -65,-3.0 2,-0.0 -1,-0.3 -0.988 54.2-169.8-157.2 157.6 37.4 4.7 44.5 176 75 B T E +EG 68 109B 17 -108,-2.2 -108,-0.7 -2,-0.3 2,-0.3 -0.986 10.3 167.8-146.7 150.4 39.3 4.5 47.9 177 76 B H E - G 0 108B 41 -69,-1.9 -69,-2.3 -2,-0.3 2,-0.4 -0.942 18.5-157.7-164.5 148.1 39.3 6.4 51.2 178 77 B I E - G 0 107B 45 -2,-0.3 2,-0.5 -71,-0.2 -71,-0.2 -0.990 3.5-166.2-122.5 133.7 40.5 6.4 54.8 179 78 B I E - G 0 106B 7 -73,-2.4 -73,-1.9 -2,-0.4 -2,-0.0 -0.979 6.3-163.7-117.3 115.6 39.0 8.3 57.7 180 79 B A S S+ 0 0 42 -2,-0.5 -29,-0.2 1,-0.3 -1,-0.1 0.788 83.6 16.5 -70.5 -30.6 41.4 8.3 60.6 181 80 B R S S- 0 0 178 -76,-0.1 -1,-0.3 -75,-0.1 -76,-0.1 -0.605 81.7-160.7-148.4 72.0 38.9 9.3 63.2 182 81 B P - 0 0 20 0, 0.0 -78,-0.1 0, 0.0 2,-0.1 -0.258 30.0-102.2 -61.6 142.8 35.3 9.0 62.0 183 82 B H >> - 0 0 60 1,-0.1 3,-1.8 2,-0.0 4,-0.5 -0.425 28.7-122.1 -66.0 139.1 32.6 10.9 63.8 184 83 B E G >4 S+ 0 0 101 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.793 107.9 68.0 -53.2 -33.7 30.6 8.6 66.2 185 84 B N G >4 S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.780 88.8 65.5 -56.2 -32.4 27.3 9.5 64.4 186 85 B L G X> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 3,-1.5 0.860 89.0 65.1 -62.8 -44.7 28.5 7.6 61.3 187 86 B E G << S+ 0 0 34 -3,-0.7 -1,-0.2 -4,-0.5 6,-0.2 0.752 103.4 48.3 -36.1 -43.0 28.5 4.2 63.1 188 87 B Y G <4 S+ 0 0 65 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.495 122.6 28.6 -91.3 -9.1 24.7 4.4 63.5 189 88 B V T <4 S+ 0 0 27 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.707 113.3 55.6-117.1 -51.2 23.8 5.4 59.9 190 89 B L S < S- 0 0 5 -4,-2.5 2,-2.0 -5,-0.1 3,-0.3 -0.598 85.7-114.4 -91.0 149.3 26.5 3.9 57.6 191 90 B P S S+ 0 0 49 0, 0.0 -4,-0.1 0, 0.0 -45,-0.1 -0.359 81.5 109.8 -81.5 63.1 27.5 0.2 57.4 192 91 B I + 0 0 0 -2,-2.0 2,-0.2 -6,-0.2 -5,-0.1 0.227 49.3 115.7-118.8 10.2 31.0 0.6 58.8 193 92 B R S S- 0 0 110 -3,-0.3 -47,-0.1 -6,-0.2 -45,-0.0 -0.471 70.4-102.3 -88.2 150.8 30.4 -1.0 62.1 194 93 B Y - 0 0 36 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.330 33.5-148.0 -56.4 145.9 31.9 -4.2 63.6 195 94 B T > - 0 0 60 1,-0.1 3,-1.0 -2,-0.0 4,-0.5 -0.801 24.0-115.5-111.5 161.1 29.7 -7.2 63.6 196 95 B E G >> S+ 0 0 162 -2,-0.3 3,-1.0 1,-0.2 4,-0.6 0.858 113.1 64.9 -62.4 -36.9 29.8 -9.9 66.3 197 96 B A G 34 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.1 92,-0.1 0.667 110.3 37.0 -60.5 -20.9 30.9 -12.5 63.7 198 97 B V G X4 S+ 0 0 0 -3,-1.0 3,-2.2 2,-0.1 -1,-0.2 0.358 84.9 96.2-114.2 2.2 34.2 -10.5 63.2 199 98 B E G X4 S+ 0 0 66 -3,-1.0 3,-2.2 -4,-0.5 -2,-0.1 0.925 75.3 71.4 -54.4 -47.0 34.9 -9.4 66.9 200 99 B Q G 3< S+ 0 0 111 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.617 95.2 55.1 -32.0 -25.1 37.1 -12.5 67.0 201 100 B F G < 0 0 38 -3,-2.2 -1,-0.3 -69,-0.1 -2,-0.2 0.408 360.0 360.0-106.7 1.6 39.5 -10.6 64.7 202 101 B R < 0 0 149 -3,-2.2 -53,-0.1 -4,-0.2 -72,-0.1 -0.453 360.0 360.0 -65.8 360.0 40.3 -7.2 66.6 203 !* 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 0.0 204 2 C P 0 0 132 0, 0.0 2,-0.7 0, 0.0 48,-0.3 0.000 360.0 360.0 360.0 130.3 43.7 -24.8 53.1 205 3 C I - 0 0 59 78,-0.1 46,-0.2 46,-0.1 2,-0.1 -0.830 360.0-150.1 -96.3 111.6 40.5 -24.2 51.0 206 4 C A E -I 250 0C 0 44,-2.5 44,-1.5 -2,-0.7 2,-0.4 -0.339 7.0-136.1 -70.0 155.9 41.0 -22.0 48.0 207 5 C V E -IJ 249 280C 0 73,-2.5 73,-2.2 42,-0.2 2,-0.4 -0.945 16.8-168.4-114.2 137.4 38.3 -19.8 46.6 208 6 C G E -IJ 248 279C 0 40,-2.7 40,-2.7 -2,-0.4 2,-0.3 -0.997 6.0-175.1-128.0 132.1 37.6 -19.5 42.8 209 7 C M E -IJ 247 278C 0 69,-2.6 69,-1.7 -2,-0.4 2,-0.4 -0.945 13.0-175.8-129.7 142.6 35.3 -16.9 41.2 210 8 C I E -IJ 246 277C 0 36,-1.5 36,-2.1 -2,-0.3 2,-0.5 -0.974 11.9-161.3-135.1 123.5 34.0 -16.2 37.7 211 9 C E E +IJ 245 276C 0 65,-2.9 64,-3.2 -2,-0.4 65,-1.4 -0.940 14.0 179.4-107.7 126.8 32.0 -13.1 37.0 212 10 C T E -IJ 244 274C 0 32,-2.8 32,-2.2 -2,-0.5 2,-0.5 -0.720 32.5-123.3-115.5 161.1 29.8 -13.0 33.9 213 11 C R E S+IJ 243 273C 54 60,-2.3 60,-1.0 -2,-0.3 30,-0.2 -0.978 87.6 29.2 -98.1 125.8 27.5 -10.6 32.3 214 12 C G S > S- 0 0 0 28,-2.2 4,-0.7 -2,-0.5 30,-0.2 0.111 80.8-112.0 96.5 146.6 24.3 -12.4 31.9 215 13 C F H >> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.1 3,-0.8 0.934 108.0 55.7 -81.8 -50.6 22.7 -15.2 33.8 216 14 C P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.895 106.7 53.8 -51.5 -41.0 22.8 -18.2 31.4 217 15 C A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.845 107.2 51.4 -60.1 -32.0 26.6 -17.7 31.0 218 16 C V H S+K 243 0C 17 3,-0.6 3,-1.6 100,-0.3 -1,-0.3 -0.150 91.4 86.8 90.0 173.0 23.9 -5.2 39.3 241 39 C S T 3 S- 0 0 39 1,-0.3 100,-0.1 -101,-0.1 3,-0.1 0.724 126.1 -68.2 70.2 19.7 24.9 -4.0 35.8 242 40 C G T 3 S+ 0 0 0 98,-0.8 -28,-2.2 1,-0.2 2,-0.5 0.599 98.5 147.1 73.7 15.3 24.0 -7.6 34.8 243 41 C R E < +IK 213 240C 18 -3,-1.6 -4,-2.3 97,-0.2 -3,-0.6 -0.756 19.3 170.9 -95.5 119.5 27.1 -8.8 36.7 244 42 C V E -IK 212 238C 0 -32,-2.2 -32,-2.8 -2,-0.5 2,-0.4 -0.990 13.2-161.8-132.7 130.6 26.8 -12.3 38.4 245 43 C T E -IK 211 237C 0 -8,-2.4 -8,-3.1 -2,-0.4 2,-0.4 -0.946 5.3-155.0-118.1 136.1 29.6 -14.2 40.0 246 44 C V E -IK 210 236C 0 -36,-2.1 -36,-1.5 -2,-0.4 2,-0.5 -0.916 16.0-152.3-109.3 136.7 29.6 -18.0 40.8 247 45 C I E -IK 209 235C 0 -12,-2.7 -13,-2.6 -2,-0.4 -12,-1.6 -0.951 13.0-176.9-121.1 126.2 31.9 -19.1 43.7 248 46 C V E -IK 208 233C 0 -40,-2.7 -40,-2.7 -2,-0.5 2,-0.3 -0.874 7.5-157.9-116.5 154.3 33.6 -22.4 44.2 249 47 C R E +IK 207 232C 5 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.3 -0.949 36.2 92.7-126.7 153.3 35.8 -23.8 47.0 250 48 C G E S-I 206 0C 10 -44,-1.5 -44,-2.5 -2,-0.3 -19,-0.1 -0.953 73.7 -17.8 160.0-171.9 38.4 -26.6 47.1 251 49 C D > - 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