==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 09-SEP-11 3TRQ . COMPND 2 MOLECULE: CALSEQUESTRIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR E.J.SANCHEZ,K.M.LEWIS,G.R.MUNSKE,M.S.NISSEN,C.KANG . 353 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.6 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 1 3 1 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 E 0 0 241 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.4 43.0 76.0 54.1 2 2 A E - 0 0 180 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.698 360.0-138.9-104.8 170.4 42.1 74.5 57.5 3 3 A G - 0 0 64 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.887 22.5-133.3-127.9 106.2 40.3 76.3 60.2 4 4 A L - 0 0 178 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.252 25.5-118.4 -57.2 136.4 41.8 75.5 63.7 5 5 A D - 0 0 130 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.383 23.3-106.8 -72.3 151.7 39.2 74.6 66.3 6 6 A F - 0 0 189 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.367 58.1 -79.5 -60.5 157.1 38.6 76.6 69.5 7 7 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 57.7-172.5 -58.0 150.5 39.9 74.7 72.5 8 8 A E - 0 0 137 -3,-0.1 2,-0.1 0, 0.0 -3,-0.0 -0.982 37.1 -86.2-142.9 152.5 37.6 72.0 73.7 9 9 A Y - 0 0 90 -2,-0.3 51,-0.1 1,-0.1 50,-0.0 -0.436 40.2-156.8 -53.9 127.2 37.5 69.6 76.7 10 10 A D - 0 0 71 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.474 25.5-123.3 -97.4 -1.9 39.6 66.7 75.5 11 11 A G + 0 0 42 1,-0.3 2,-0.4 48,-0.0 -2,-0.1 0.601 64.0 139.0 72.7 10.7 38.2 63.9 77.7 12 12 A V - 0 0 77 47,-0.1 2,-0.4 1,-0.0 -1,-0.3 -0.762 55.8-121.0 -88.6 130.3 41.6 63.1 79.1 13 13 A D + 0 0 121 -2,-0.4 -1,-0.0 1,-0.2 46,-0.0 -0.571 45.3 153.9 -78.5 128.4 41.6 62.4 82.8 14 14 A R + 0 0 44 -2,-0.4 58,-0.4 2,-0.1 2,-0.3 0.498 37.8 107.4-125.8 -17.7 43.7 64.7 84.9 15 15 A V - 0 0 19 40,-0.1 2,-0.3 56,-0.1 58,-0.2 -0.552 67.1-132.7 -72.6 126.8 42.0 64.6 88.3 16 16 A I E -a 73 0A 37 56,-3.0 58,-2.7 -2,-0.3 2,-1.3 -0.616 5.3-132.6 -88.3 134.3 44.1 62.6 90.7 17 17 A N E -a 74 0A 82 -2,-0.3 2,-0.4 56,-0.2 58,-0.1 -0.735 34.4-151.8 -77.4 95.6 42.8 59.9 93.0 18 18 A V + 0 0 0 56,-1.5 58,-0.4 -2,-1.3 2,-0.2 -0.602 28.1 155.7 -80.2 126.0 44.6 61.2 96.1 19 19 A N >> - 0 0 42 -2,-0.4 4,-2.3 56,-0.1 3,-0.8 -0.796 57.1 -81.3-141.4-179.1 45.5 58.5 98.6 20 20 A A T 34 S+ 0 0 65 1,-0.2 4,-0.3 -2,-0.2 60,-0.0 0.852 123.4 49.0 -54.5 -38.3 47.8 57.4 101.4 21 21 A K T 34 S+ 0 0 197 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.731 123.5 25.1 -80.0 -22.1 50.5 56.3 99.0 22 22 A N T <> S+ 0 0 38 -3,-0.8 4,-2.5 2,-0.1 3,-0.3 0.573 88.7 94.7-119.3 -11.6 50.7 59.4 96.8 23 23 A Y H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.3 5,-0.2 0.844 88.1 51.3 -60.3 -35.2 49.4 62.5 98.7 24 24 A K H > S+ 0 0 131 -4,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.920 112.4 46.8 -65.0 -42.5 52.9 63.6 99.8 25 25 A N H > S+ 0 0 118 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.872 109.4 54.8 -64.4 -38.7 54.1 63.4 96.2 26 26 A V H X S+ 0 0 11 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.922 106.5 49.9 -64.0 -44.8 51.0 65.2 94.9 27 27 A F H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.0 53.6 -62.0 -34.0 51.7 68.2 97.2 28 28 A K H < S+ 0 0 181 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 106.9 52.9 -67.6 -33.0 55.3 68.3 96.1 29 29 A K H < S+ 0 0 148 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.818 105.2 52.7 -76.5 -34.1 54.3 68.6 92.4 30 30 A Y < - 0 0 46 -4,-1.3 3,-0.1 1,-0.1 40,-0.1 -0.829 55.9-156.0-113.2 144.2 51.8 71.5 92.5 31 31 A E S S+ 0 0 101 38,-1.1 69,-0.7 -2,-0.3 2,-0.4 0.835 96.3 29.3 -78.6 -36.4 52.1 75.0 93.8 32 32 A V E S-bC 70 99A 0 37,-1.2 39,-2.6 67,-0.1 2,-0.4 -0.996 75.5-173.0-125.6 130.1 48.3 75.2 94.2 33 33 A L E -bC 71 98A 3 65,-2.2 65,-3.1 -2,-0.4 2,-0.6 -0.986 8.8-162.6-127.5 126.1 46.3 72.0 94.8 34 34 A A E -bC 72 97A 4 37,-2.8 39,-2.3 -2,-0.4 2,-0.5 -0.944 12.8-171.8-109.2 120.2 42.5 71.8 94.9 35 35 A L E -bC 73 96A 0 61,-3.0 61,-2.9 -2,-0.6 2,-0.7 -0.946 15.9-148.4-115.9 128.3 41.0 68.7 96.6 36 36 A L E -bC 74 95A 1 37,-2.7 39,-2.8 -2,-0.5 2,-0.7 -0.857 11.6-153.1 -91.3 114.1 37.4 67.6 96.6 37 37 A Y E +bC 75 94A 31 57,-3.0 57,-1.5 -2,-0.7 2,-0.3 -0.807 32.6 166.7 -85.1 115.1 36.6 65.8 99.8 38 38 A H E -b 76 0A 16 37,-2.4 39,-3.1 -2,-0.7 40,-0.2 -0.861 35.3-106.3-135.9 164.5 33.8 63.5 98.9 39 39 A E - 0 0 67 -2,-0.3 3,-0.1 37,-0.2 37,-0.0 -0.532 44.7 -93.4 -89.2 154.1 31.7 60.5 100.1 40 40 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.237 61.8 -74.0 -60.7 157.0 32.0 56.9 98.7 41 41 A P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.290 47.8-143.2 -59.3 130.3 29.6 56.0 95.9 42 42 A E - 0 0 110 2,-0.2 6,-0.1 -3,-0.1 -3,-0.0 -0.459 20.0-116.8 -86.4 166.0 25.9 55.4 96.9 43 43 A D S S+ 0 0 162 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.687 86.5 94.0 -77.3 -18.3 23.7 52.8 95.4 44 44 A D S > S- 0 0 80 1,-0.1 4,-1.5 4,-0.0 -2,-0.2 -0.556 72.9-137.0 -85.8 141.2 21.3 55.3 93.9 45 45 A K H > S+ 0 0 141 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.865 99.1 58.7 -60.7 -41.5 21.6 56.6 90.3 46 46 A A H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 106.5 45.1 -57.8 -51.8 20.9 60.2 91.2 47 47 A S H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 112.4 54.0 -62.5 -34.8 23.7 60.6 93.7 48 48 A Q H X S+ 0 0 94 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.910 108.6 48.0 -64.7 -42.8 26.1 58.9 91.2 49 49 A R H X S+ 0 0 137 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.892 108.5 55.4 -63.7 -41.5 25.1 61.3 88.5 50 50 A Q H X S+ 0 0 134 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 111.3 43.3 -57.3 -44.7 25.7 64.3 90.9 51 51 A F H X S+ 0 0 67 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.897 109.5 57.6 -68.9 -39.0 29.2 63.1 91.6 52 52 A E H X S+ 0 0 87 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 108.8 46.9 -55.6 -44.8 29.8 62.4 87.9 53 53 A M H X S+ 0 0 121 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.939 111.6 49.5 -63.6 -49.6 29.0 66.0 87.1 54 54 A E H X S+ 0 0 34 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.914 110.9 49.8 -57.6 -44.7 31.2 67.4 89.9 55 55 A E H X S+ 0 0 37 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.889 110.2 50.5 -64.6 -38.0 34.2 65.3 88.9 56 56 A L H X S+ 0 0 70 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.871 106.0 55.4 -68.3 -35.7 33.8 66.4 85.2 57 57 A I H X S+ 0 0 32 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.933 109.3 48.1 -60.2 -42.8 33.7 70.1 86.3 58 58 A L H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.885 108.0 55.2 -63.0 -38.8 37.0 69.5 88.0 59 59 A E H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 107.6 49.3 -60.8 -42.1 38.3 67.8 84.9 60 60 A L H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.942 112.8 46.2 -63.4 -47.0 37.5 70.9 82.8 61 61 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.883 110.6 55.1 -60.7 -38.7 39.2 73.2 85.3 62 62 A A H < S+ 0 0 6 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.880 107.8 48.2 -63.8 -39.1 42.1 70.8 85.4 63 63 A Q H >< S+ 0 0 45 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.934 112.7 48.3 -66.2 -45.5 42.5 71.0 81.6 64 64 A V H 3< S+ 0 0 87 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.892 119.7 37.2 -61.2 -40.7 42.4 74.8 81.6 65 65 A L T ><>S+ 0 0 3 -4,-2.3 5,-1.5 1,-0.2 3,-0.6 0.282 83.3 106.0-100.8 12.1 44.9 75.2 84.4 66 66 A E G X 5S+ 0 0 114 -3,-0.9 3,-1.3 -4,-0.4 -1,-0.2 0.907 81.8 47.9 -57.8 -46.1 47.3 72.4 83.6 67 67 A D G 3 5S+ 0 0 154 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.744 105.5 59.7 -69.5 -22.7 50.0 74.7 82.2 68 68 A K G < 5S- 0 0 120 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.368 114.4-111.0 -90.6 5.9 49.8 77.0 85.3 69 69 A G T < 5 + 0 0 28 -3,-1.3 -37,-1.2 -4,-0.3 -38,-1.1 0.838 66.4 144.8 71.9 34.1 50.7 74.2 87.7 70 70 A V E < - b 0 32A 5 -5,-1.5 2,-0.3 -39,-0.1 -1,-0.2 -0.929 32.8-156.7-102.3 126.0 47.3 73.9 89.5 71 71 A G E - b 0 33A 2 -39,-2.6 -37,-2.8 -2,-0.5 2,-0.4 -0.712 4.9-154.8-104.3 154.0 46.5 70.3 90.5 72 72 A F E + b 0 34A 3 -58,-0.4 -56,-3.0 -2,-0.3 2,-0.3 -0.989 18.8 168.3-130.1 137.2 43.2 68.7 91.1 73 73 A G E -ab 16 35A 0 -39,-2.3 -37,-2.7 -2,-0.4 2,-0.4 -0.955 27.5-131.1-147.9 163.2 42.4 65.7 93.3 74 74 A L E -ab 17 36A 21 -58,-2.7 -56,-1.5 -2,-0.3 2,-0.5 -0.957 12.1-165.4-118.8 132.4 39.8 63.6 95.0 75 75 A V E - b 0 37A 0 -39,-2.8 -37,-2.4 -2,-0.4 2,-0.4 -0.949 14.7-146.4-119.8 110.8 39.8 62.5 98.6 76 76 A D E > - b 0 38A 15 -2,-0.5 4,-2.3 -58,-0.4 8,-0.2 -0.610 9.8-140.3 -78.1 125.4 37.3 59.7 99.4 77 77 A S T 4 S+ 0 0 21 -39,-3.1 -38,-0.1 -2,-0.4 -1,-0.1 0.696 99.8 28.5 -63.5 -20.0 36.0 60.0 103.0 78 78 A E T >4 S+ 0 0 147 -40,-0.2 3,-1.4 2,-0.1 4,-0.2 0.836 125.4 40.3-101.5 -61.0 36.1 56.3 103.5 79 79 A K T 34 S+ 0 0 110 1,-0.3 3,-0.2 2,-0.1 -2,-0.2 0.826 130.6 31.4 -58.5 -34.0 38.9 55.0 101.3 80 80 A D T 3X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.1 3,-0.5 -0.061 76.3 132.1-118.3 32.3 41.2 57.9 102.1 81 81 A A H <> S+ 0 0 50 -3,-1.4 4,-2.3 1,-0.2 -1,-0.1 0.846 73.4 52.6 -53.2 -39.9 40.0 58.7 105.7 82 82 A A H > S+ 0 0 69 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 108.5 49.8 -67.9 -37.4 43.6 58.9 107.0 83 83 A V H > S+ 0 0 1 -3,-0.5 4,-2.0 2,-0.2 5,-0.2 0.945 110.1 50.8 -62.9 -48.5 44.6 61.4 104.3 84 84 A A H X>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 4,-1.6 0.919 109.2 52.1 -54.8 -45.7 41.5 63.5 105.2 85 85 A K H <5S+ 0 0 181 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.913 110.5 47.3 -57.7 -46.0 42.5 63.4 108.8 86 86 A K H <5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 117.8 41.1 -67.1 -31.9 46.0 64.6 108.1 87 87 A L H <5S- 0 0 33 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.566 111.8-114.5 -95.3 -11.3 45.0 67.4 105.9 88 88 A G T <5 + 0 0 42 -4,-1.6 2,-0.8 -3,-0.2 -3,-0.2 0.804 51.8 166.3 82.0 31.8 42.0 68.6 108.0 89 89 A L < + 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.726 13.1 140.5 -84.1 112.3 39.3 67.7 105.5 90 90 A T + 0 0 110 -2,-0.8 2,-0.5 1,-0.1 -1,-0.2 0.728 35.6 88.4-122.3 -41.4 36.0 67.8 107.4 91 91 A E S > S- 0 0 101 1,-0.1 3,-0.6 2,-0.0 -54,-0.2 -0.565 79.7-116.2 -78.9 120.4 33.2 69.3 105.4 92 92 A E T 3 S- 0 0 129 -2,-0.5 -54,-0.2 1,-0.2 -1,-0.1 -0.153 88.9 -1.3 -57.3 138.6 31.3 66.8 103.3 93 93 A D T 3 S+ 0 0 66 -56,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.914 102.6 137.1 47.3 56.8 31.5 67.1 99.5 94 94 A S E < -C 37 0A 21 -57,-1.5 -57,-3.0 -3,-0.6 2,-0.5 -0.953 53.9-120.1-136.2 152.3 33.6 70.3 99.7 95 95 A I E -C 36 0A 5 11,-0.4 11,-1.2 -2,-0.3 2,-0.4 -0.804 22.1-168.7 -96.7 127.0 36.6 71.8 98.0 96 96 A Y E -CD 35 105A 11 -61,-2.9 -61,-3.0 -2,-0.5 2,-0.5 -0.943 7.9-154.3-110.9 136.6 39.8 72.6 99.9 97 97 A V E -CD 34 104A 1 7,-2.8 7,-2.7 -2,-0.4 2,-0.5 -0.944 6.0-161.0-117.0 127.2 42.6 74.7 98.3 98 98 A F E +CD 33 103A 16 -65,-3.1 -65,-2.2 -2,-0.5 2,-0.3 -0.902 16.4 165.3-112.0 131.9 46.2 74.4 99.4 99 99 A K E > -CD 32 102A 17 3,-1.9 3,-2.8 -2,-0.5 -67,-0.1 -0.953 67.0 -53.8-142.0 119.9 48.9 77.0 98.7 100 100 A E T 3 S- 0 0 133 -69,-0.7 -1,-0.0 -2,-0.3 -68,-0.0 -0.294 123.4 -17.9 50.0-115.5 52.2 76.8 100.6 101 101 A D T 3 S+ 0 0 152 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.117 117.8 96.1-106.0 19.0 51.1 76.9 104.3 102 102 A E E < -D 99 0A 49 -3,-2.8 -3,-1.9 2,-0.0 2,-0.4 -0.866 52.3-163.5-108.5 141.6 47.6 78.1 103.7 103 103 A V E -D 98 0A 76 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.992 6.7-161.5-119.7 134.4 44.5 76.1 103.5 104 104 A I E -D 97 0A 20 -7,-2.7 -7,-2.8 -2,-0.4 2,-1.2 -0.967 13.3-148.1-116.5 129.6 41.3 77.5 102.0 105 105 A E E -D 96 0A 93 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.737 26.9-140.9 -93.6 87.8 37.8 76.0 102.6 106 106 A Y + 0 0 11 -11,-1.2 -11,-0.4 -2,-1.2 131,-0.1 -0.197 26.9 175.7 -51.6 128.0 36.2 77.0 99.3 107 107 A D + 0 0 40 129,-0.5 132,-1.4 -13,-0.1 133,-1.1 -0.245 44.2 100.5-131.8 43.6 32.6 78.0 99.9 108 108 A G S S- 0 0 6 130,-0.2 128,-0.3 129,-0.2 129,-0.1 -0.583 79.8 -49.9-121.7-176.9 31.6 79.1 96.4 109 109 A E - 0 0 49 126,-3.0 2,-1.6 -2,-0.2 -1,-0.2 -0.262 46.3-131.5 -55.3 131.2 29.8 78.0 93.2 110 110 A F + 0 0 44 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.588 65.1 119.2 -85.9 72.3 30.9 74.6 92.0 111 111 A S S > S- 0 0 28 -2,-1.6 4,-2.7 1,-0.1 5,-0.3 -0.978 71.0-122.2-137.0 151.1 31.4 75.6 88.4 112 112 A A H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.916 110.6 49.9 -60.2 -46.2 34.4 75.6 86.1 113 113 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 115.4 42.5 -59.1 -47.0 34.4 79.3 85.4 114 114 A T H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.920 116.3 47.6 -67.9 -42.1 34.1 80.3 89.0 115 115 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.912 112.6 48.9 -65.8 -43.1 36.7 77.7 90.2 116 116 A V H X S+ 0 0 18 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.943 112.1 48.1 -62.7 -46.0 39.2 78.7 87.5 117 117 A E H X S+ 0 0 132 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 113.0 49.6 -59.0 -44.7 38.8 82.4 88.3 118 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 111.1 47.3 -59.6 -48.1 39.3 81.7 92.0 119 119 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.843 108.5 55.0 -67.9 -33.3 42.4 79.5 91.5 120 120 A L H X S+ 0 0 57 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.901 109.6 48.8 -62.0 -39.7 43.9 82.1 89.2 121 121 A D H >< S+ 0 0 67 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.872 107.8 54.3 -64.3 -39.3 43.4 84.6 92.1 122 122 A V H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 102.0 58.7 -63.0 -37.9 44.9 82.1 94.5 123 123 A L H 3< S+ 0 0 30 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.771 89.8 92.3 -63.2 -28.4 48.1 81.9 92.4 124 124 A E S << S- 0 0 129 -4,-0.8 -3,-0.0 -3,-0.5 0, 0.0 -0.238 92.9 -90.0 -66.8 155.8 48.7 85.7 92.7 125 125 A D - 0 0 126 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.392 36.1-122.6 -63.9 146.2 50.9 87.2 95.4 126 126 A P S S+ 0 0 18 0, 0.0 50,-0.7 0, 0.0 2,-0.5 0.760 92.7 52.7 -68.0 -30.2 48.9 88.1 98.5 127 127 A V E S-e 176 0B 10 48,-0.1 2,-0.6 44,-0.0 50,-0.2 -0.929 71.3-149.1-112.6 132.1 49.8 91.8 98.6 128 128 A E E -e 177 0B 102 48,-2.6 50,-2.3 -2,-0.5 2,-0.3 -0.863 16.5-142.7 -97.7 122.8 49.3 94.2 95.7 129 129 A L E -e 178 0B 50 -2,-0.6 2,-0.6 48,-0.2 50,-0.2 -0.679 5.0-148.2 -87.6 136.6 51.9 97.0 95.6 130 130 A I + 0 0 3 48,-2.8 50,-0.5 -2,-0.3 51,-0.4 -0.920 41.5 134.3-106.7 118.0 50.8 100.5 94.5 131 131 A E + 0 0 133 -2,-0.6 -1,-0.1 48,-0.1 2,-0.1 0.628 57.4 53.2-126.3 -43.2 53.5 102.5 92.7 132 132 A G S > S- 0 0 36 1,-0.1 4,-2.0 52,-0.0 5,-0.1 -0.447 82.3-110.2-100.4 170.5 51.9 104.1 89.6 133 133 A E H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 116.6 55.0 -65.1 -39.8 48.9 106.3 88.9 134 134 A R H > S+ 0 0 219 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.0 46.6 -59.6 -44.9 47.0 103.5 87.1 135 135 A E H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 111.9 50.0 -66.8 -39.7 47.4 101.2 90.1 136 136 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.944 111.6 48.1 -63.4 -46.9 46.3 103.8 92.6 137 137 A Q H X S+ 0 0 82 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.902 109.2 53.9 -61.6 -41.7 43.3 104.7 90.6 138 138 A A H X S+ 0 0 56 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.917 109.5 48.6 -56.3 -45.6 42.4 100.9 90.3 139 139 A F H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.948 110.3 50.4 -59.0 -49.8 42.6 100.7 94.1 140 140 A E H 3< S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 104.9 58.7 -60.8 -30.8 40.4 103.7 94.6 141 141 A N H 3< S+ 0 0 109 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.560 78.5 105.9 -80.3 -8.1 37.8 102.3 92.2 142 142 A I << + 0 0 39 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.609 30.8 143.0 -72.7 124.6 37.2 99.1 94.2 143 143 A E + 0 0 58 -2,-0.4 58,-2.7 57,-0.1 59,-0.2 0.582 51.5 71.1-130.5 -27.5 33.9 99.3 96.0 144 144 A D S S+ 0 0 52 56,-0.2 88,-0.5 57,-0.1 2,-0.3 0.313 100.8 40.3 -88.3 12.1 32.2 95.9 96.0 145 145 A E S S- 0 0 51 54,-0.1 56,-0.2 86,-0.1 29,-0.1 -0.988 90.4 -94.3-149.9 154.9 34.6 94.3 98.5 146 146 A I - 0 0 15 -2,-0.3 2,-0.3 54,-0.1 53,-0.2 -0.408 46.8-176.0 -59.5 144.1 36.4 95.1 101.7 147 147 A K E -F 198 0B 12 51,-1.6 51,-2.9 27,-0.1 2,-0.4 -0.992 14.4-155.9-145.9 149.5 40.0 96.3 101.0 148 148 A L E -Fg 197 176B 0 27,-1.9 29,-2.7 -2,-0.3 2,-0.4 -0.963 7.8-173.3-125.1 144.8 43.0 97.2 103.1 149 149 A I E -Fg 196 177B 0 47,-2.0 47,-2.8 -2,-0.4 2,-0.3 -0.998 3.6-176.0-138.5 134.8 45.9 99.5 102.3 150 150 A G E -Fg 195 178B 0 27,-1.9 29,-2.1 -2,-0.4 2,-0.5 -0.937 18.9-140.3-128.8 153.8 49.0 100.2 104.3 151 151 A Y E + g 0 179B 40 43,-1.6 42,-3.1 40,-0.4 2,-0.3 -0.961 30.6 168.0-112.6 125.0 52.0 102.5 104.0 152 152 A F - 0 0 2 27,-2.3 3,-0.1 -2,-0.5 40,-0.0 -0.887 45.4-113.0-134.9 164.6 55.4 101.1 104.9 153 153 A K S S- 0 0 151 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.936 84.6 -48.4 -63.8 -47.5 59.0 102.0 104.5 154 154 A N > - 0 0 60 25,-0.1 3,-1.9 -3,-0.1 6,-0.3 -0.941 69.0 -70.1-173.4-178.6 59.9 99.2 102.2 155 155 A K T 3 S+ 0 0 126 1,-0.3 -2,-0.0 -2,-0.3 6,-0.0 0.653 125.1 59.5 -66.3 -15.0 59.5 95.4 101.8 156 156 A D T 3 S+ 0 0 92 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.417 75.2 119.8 -96.9 1.8 62.0 94.8 104.6 157 157 A S <> - 0 0 18 -3,-1.9 4,-2.4 1,-0.2 3,-0.3 -0.487 66.6-136.6 -65.1 131.6 59.9 96.7 107.2 158 158 A E H > S+ 0 0 144 1,-0.2 4,-1.6 -2,-0.2 -1,-0.2 0.831 107.6 53.5 -55.0 -31.6 58.9 94.4 110.1 159 159 A H H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.814 105.1 51.0 -81.2 -29.5 55.5 96.0 109.8 160 160 A Y H > S+ 0 0 20 -3,-0.3 4,-2.5 -6,-0.3 -2,-0.2 0.914 108.6 53.3 -67.3 -43.2 55.2 95.3 106.1 161 161 A K H X S+ 0 0 111 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 108.3 49.6 -58.6 -39.6 56.0 91.7 106.8 162 162 A A H X S+ 0 0 16 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.901 110.3 51.0 -64.6 -41.3 53.3 91.5 109.5 163 163 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 109.8 50.3 -61.2 -41.3 50.8 93.0 107.0 164 164 A K H X S+ 0 0 65 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.891 108.1 52.0 -68.0 -40.0 51.8 90.4 104.4 165 165 A E H X S+ 0 0 82 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.906 111.5 47.3 -60.7 -43.0 51.3 87.6 106.9 166 166 A A H >X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.902 107.8 56.8 -64.2 -40.3 47.8 88.9 107.6 167 167 A A H >X S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 4,-0.6 0.885 102.1 55.5 -57.8 -40.6 47.1 89.2 103.9 168 168 A E H >< S+ 0 0 27 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.812 98.4 62.8 -64.8 -28.8 47.9 85.5 103.5 169 169 A E H << S+ 0 0 96 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.777 114.9 31.2 -66.0 -26.9 45.2 84.6 106.1 170 170 A F H XX S+ 0 0 7 -3,-1.0 4,-1.6 -4,-0.8 3,-1.1 0.308 94.6 168.4-114.6 5.2 42.4 86.1 103.9 171 171 A H T << + 0 0 27 -4,-0.6 -49,-0.1 -3,-0.5 -44,-0.0 -0.467 61.8 0.3 -72.1 136.3 43.9 85.5 100.5 172 172 A P T 34 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.921 122.2 64.8-103.0 18.0 42.4 85.8 97.9 173 173 A Y T <4 S+ 0 0 37 -3,-1.1 -2,-0.2 1,-0.2 -27,-0.1 0.845 105.4 39.9 -70.0 -37.9 39.0 86.9 99.3 174 174 A I S < S- 0 0 11 -4,-1.6 2,-0.2 -7,-0.2 -1,-0.2 -0.953 85.2-133.3-119.2 114.3 40.1 90.3 100.8 175 175 A P - 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0 0 4 -20,-0.5 -2,-0.1 -2,-0.1 -51,-0.1 -0.756 6.2-140.5-100.9 133.6 50.1 96.7 113.9 214 214 A S > - 0 0 46 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.368 35.5-103.1 -74.3 163.6 51.1 93.1 114.5 215 215 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 124.3 50.7 -51.5 -45.2 49.9 90.3 112.3 216 216 A E H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.891 105.7 54.3 -65.1 -40.8 47.4 89.4 115.1 217 217 A E H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 111.7 45.8 -59.6 -40.2 46.1 92.9 115.5 218 218 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.955 113.9 46.6 -68.7 -49.3 45.3 93.1 111.7 219 219 A V H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.900 112.4 51.7 -59.6 -43.0 43.7 89.6 111.6 220 220 A N H X S+ 0 0 110 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.935 111.2 47.2 -57.8 -47.8 41.6 90.5 114.7 221 221 A F H X S+ 0 0 18 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.917 112.6 48.2 -62.8 -45.6 40.4 93.7 113.2 222 222 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.0 51.0 -63.5 -43.5 39.5 92.2 109.8 223 223 A E H >< S+ 0 0 95 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.919 110.0 49.6 -59.9 -43.4 37.6 89.3 111.5 224 224 A E H 3< S+ 0 0 156 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.813 118.4 39.6 -64.6 -30.0 35.6 91.8 113.6 225 225 A H T 3< S+ 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.031 80.6 117.4-107.4 26.4 34.7 93.8 110.5 226 226 A R < + 0 0 71 -3,-1.3 2,-0.7 1,-0.1 -1,-0.2 0.813 62.9 66.7 -65.8 -32.7 34.2 90.8 108.3 227 227 A R S S- 0 0 104 -3,-0.3 2,-0.1 -4,-0.2 -1,-0.1 -0.815 73.5-154.2-100.0 110.2 30.5 91.5 107.6 228 228 A S - 0 0 6 -2,-0.7 56,-0.2 1,-0.1 3,-0.1 -0.452 24.6-121.3 -78.1 153.2 29.8 94.7 105.6 229 229 A T S S+ 0 0 7 1,-0.2 55,-3.0 -29,-0.2 2,-0.5 0.885 109.3 28.6 -61.4 -41.0 26.5 96.5 106.0 230 230 A L E S+i 284 0C 0 -30,-0.4 2,-0.3 53,-0.2 -1,-0.2 -0.992 82.3 175.7-118.1 125.2 26.0 96.0 102.3 231 231 A R E -i 285 0C 27 53,-2.6 55,-2.8 -2,-0.5 2,-0.4 -0.981 25.0-127.8-132.6 141.4 27.6 93.0 100.8 232 232 A K E -i 286 0C 24 -88,-0.5 2,-0.6 -2,-0.3 55,-0.2 -0.713 19.3-126.7 -89.4 134.2 27.5 91.5 97.3 233 233 A L - 0 0 7 53,-2.7 55,-0.4 -2,-0.4 5,-0.1 -0.702 36.9-175.4 -74.0 117.4 26.6 87.9 96.6 234 234 A K >> - 0 0 35 -2,-0.6 3,-1.8 1,-0.1 4,-1.0 -0.937 34.8-125.3-119.9 140.4 29.5 86.6 94.5 235 235 A P G >4 S+ 0 0 29 0, 0.0 -126,-3.0 0, 0.0 3,-0.7 0.877 109.7 57.7 -47.0 -43.5 29.8 83.2 92.9 236 236 A E G 34 S+ 0 0 32 -128,-0.3 -129,-0.5 1,-0.2 -63,-0.0 0.699 125.9 16.6 -64.6 -20.8 33.2 82.7 94.6 237 237 A S G <> S+ 0 0 12 -3,-1.8 4,-2.2 -129,-0.1 3,-0.4 0.212 84.3 122.9-137.2 15.3 31.8 83.1 98.1 238 238 A M H S+ 0 0 105 -132,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.875 110.8 49.1 -72.6 -36.6 27.6 79.9 100.3 240 240 A E H > S+ 0 0 80 -133,-1.1 4,-0.9 -3,-0.4 -2,-0.2 0.927 113.6 47.6 -64.8 -45.1 29.6 81.6 103.0 241 241 A T H >< S+ 0 0 9 -4,-2.2 3,-0.7 -134,-0.2 -2,-0.2 0.943 115.1 44.1 -62.4 -48.2 27.6 84.9 102.5 242 242 A W H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 109.5 55.2 -67.7 -35.4 24.2 83.1 102.6 243 243 A E H 3< S+ 0 0 122 -4,-2.1 2,-1.4 1,-0.2 -1,-0.2 0.694 90.8 79.2 -73.1 -13.7 25.0 80.9 105.5 244 244 A D S << S+ 0 0 49 -4,-0.9 -1,-0.2 -3,-0.7 -4,-0.1 -0.427 73.2 172.0 -90.0 60.2 25.9 84.0 107.6 245 245 A D - 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