==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-04 1TLO . COMPND 2 MOLECULE: CALPAIN 1, LARGE [CATALYTIC] SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.MOLDOVEANU,R.L.CAMPBELL,D.CUERRIER,P.L.DAVIES . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 16.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 18.9 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+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 0 0 3 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 2 1 0 1 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 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 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 33 A N 0 0 158 0, 0.0 126,-0.1 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 16.7 1.7 37.3 -10.7 2 34 A A - 0 0 14 1,-0.1 2,-0.3 126,-0.1 126,-0.3 -0.301 360.0-110.5 -71.0 161.3 2.3 39.5 -7.6 3 35 A I E -a 128 0A 91 124,-2.3 126,-3.0 1,-0.0 2,-0.5 -0.723 34.1-103.6 -94.5 146.5 2.0 43.3 -8.0 4 36 A K E > -a 129 0A 88 -2,-0.3 3,-1.6 124,-0.2 2,-0.3 -0.551 31.0-128.5 -74.9 118.0 5.1 45.5 -7.7 5 37 A Y G > S- 0 0 38 124,-2.7 3,-1.6 -2,-0.5 126,-0.2 -0.492 92.5 -5.7 -65.9 125.9 5.3 47.3 -4.4 6 38 A L G 3 S- 0 0 110 1,-0.3 -1,-0.3 -2,-0.3 3,-0.1 0.546 121.8 -76.2 65.3 8.2 5.9 51.0 -5.0 7 39 A G G < S+ 0 0 60 -3,-1.6 2,-0.4 1,-0.3 -1,-0.3 0.439 87.8 149.3 84.7 0.2 6.2 50.2 -8.7 8 40 A Q < - 0 0 32 -3,-1.6 2,-0.7 121,-0.1 -1,-0.3 -0.553 36.4-150.1 -74.0 124.3 9.7 48.8 -8.4 9 41 A D > - 0 0 59 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 -0.847 3.7-158.4 -99.8 107.6 10.3 46.0 -11.0 10 42 A Y H > S+ 0 0 10 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.932 89.9 41.8 -48.0 -62.7 12.8 43.4 -9.8 11 43 A E H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 116.8 47.8 -56.7 -44.6 13.8 42.0 -13.2 12 44 A N H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 113.4 47.9 -64.3 -41.9 14.1 45.5 -14.9 13 45 A L H X S+ 0 0 30 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.908 113.1 48.4 -65.4 -42.0 16.1 46.9 -12.0 14 46 A R H X S+ 0 0 63 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.946 113.4 45.8 -64.1 -48.9 18.5 44.0 -12.0 15 47 A A H X S+ 0 0 55 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.922 113.0 52.0 -59.4 -44.0 19.0 44.1 -15.8 16 48 A R H X S+ 0 0 147 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.894 110.4 46.6 -59.6 -45.6 19.5 47.8 -15.6 17 49 A C H <>S+ 0 0 15 -4,-2.4 5,-2.5 2,-0.2 4,-0.4 0.880 112.2 50.9 -66.7 -38.0 22.1 47.6 -12.8 18 50 A L H ><5S+ 0 0 86 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.918 111.8 47.3 -65.1 -43.0 24.0 44.9 -14.7 19 51 A Q H 3<5S+ 0 0 164 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.5 46.7 -64.8 -39.2 24.0 46.9 -17.9 20 52 A N T 3<5S- 0 0 102 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.389 110.8-121.6 -85.2 3.1 25.2 50.0 -16.0 21 53 A G T < 5S+ 0 0 67 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.832 72.1 111.1 61.4 36.3 27.9 48.1 -14.1 22 54 A V < - 0 0 82 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.903 66.7-113.7-136.1 165.1 26.6 49.0 -10.6 23 55 A L - 0 0 63 -2,-0.3 92,-0.2 -3,-0.1 110,-0.1 -0.790 45.8 -95.9 -98.9 144.0 25.0 47.3 -7.6 24 56 A F - 0 0 17 90,-2.9 2,-0.4 -2,-0.4 110,-0.2 -0.281 33.4-169.6 -61.5 136.9 21.4 48.2 -6.7 25 57 A Q - 0 0 123 108,-0.1 2,-0.7 109,-0.1 3,-0.1 -0.989 23.7-129.9-130.0 117.8 20.8 50.9 -4.0 26 58 A D > - 0 0 1 -2,-0.4 3,-0.6 3,-0.3 107,-0.0 -0.586 20.5-174.1 -76.2 108.1 17.2 51.1 -2.8 27 59 A D T 3 S+ 0 0 156 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.783 89.3 57.0 -69.3 -25.8 15.9 54.7 -2.8 28 60 A A T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.687 126.8 15.1 -78.2 -20.6 12.7 53.3 -1.2 29 61 A F S < S- 0 0 5 -3,-0.6 -3,-0.3 137,-0.0 104,-0.3 -0.492 90.6-168.0-153.2 71.4 14.6 51.8 1.7 30 62 A P - 0 0 44 0, 0.0 2,-2.2 0, 0.0 5,-0.2 -0.143 34.3-102.2 -66.2 157.0 18.1 53.3 1.8 31 63 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.459 85.3 102.8 -78.6 67.2 21.2 52.3 3.8 32 64 A V S >> S- 0 0 68 -2,-2.2 3,-1.9 20,-0.1 4,-0.6 -0.903 88.6 -89.8-142.9 170.7 20.9 55.0 6.4 33 65 A S H >> S+ 0 0 38 -2,-0.3 4,-2.4 1,-0.3 3,-0.9 0.759 116.4 67.6 -56.6 -31.4 19.7 55.4 10.0 34 66 A H H 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.761 99.1 52.8 -62.8 -22.9 16.1 56.2 9.0 35 67 A S H <4 S+ 0 0 5 -3,-1.9 135,-2.0 -5,-0.2 -1,-0.3 0.711 108.9 50.5 -83.8 -20.1 15.8 52.6 7.7 36 68 A L H << S- 0 0 5 -3,-0.9 135,-2.3 -4,-0.6 2,-0.3 0.936 120.8 -72.3 -80.5 -51.0 17.0 51.3 11.1 37 69 A G < - 0 0 3 -4,-2.4 -1,-0.3 4,-0.4 133,-0.0 -0.964 21.8-113.6-178.7-163.9 14.7 53.2 13.3 38 70 A F S S+ 0 0 140 -2,-0.3 6,-0.1 4,-0.2 -1,-0.1 0.429 96.4 3.0-137.5 -11.9 13.5 56.4 14.9 39 71 A K S > S+ 0 0 149 3,-0.1 3,-1.2 4,-0.0 -2,-0.1 0.347 135.1 25.5-140.4 -79.0 14.0 56.1 18.7 40 72 A E T 3 S+ 0 0 109 1,-0.3 7,-0.5 5,-0.1 8,-0.1 0.790 144.1 26.7 -65.6 -26.0 15.7 53.0 20.2 41 73 A L T 3 S+ 0 0 10 6,-0.1 -4,-0.4 5,-0.1 -1,-0.3 -0.043 96.9 129.3-124.7 29.0 17.3 52.6 16.8 42 74 A G S X S- 0 0 4 -3,-1.2 3,-1.2 -6,-0.1 6,-0.2 -0.238 76.5 -96.8 -77.9 172.4 17.3 56.3 15.7 43 75 A P T 3 S+ 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.866 124.4 51.8 -58.1 -37.1 20.4 58.1 14.4 44 76 A N T 3 S+ 0 0 165 -6,-0.1 2,-0.3 5,-0.0 -2,-0.1 -0.161 93.0 109.7 -93.3 40.7 21.0 59.6 17.9 45 77 A S X - 0 0 22 -3,-1.2 3,-0.6 -2,-0.2 4,-0.2 -0.873 67.3-137.5-120.2 152.7 20.9 56.2 19.6 46 78 A S G > S+ 0 0 109 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.797 101.3 63.5 -73.8 -30.3 23.5 54.0 21.3 47 79 A K G 3 S+ 0 0 132 -7,-0.5 -1,-0.2 1,-0.2 -6,-0.1 0.704 103.0 50.0 -68.4 -18.7 22.1 50.8 19.8 48 80 A T G X S+ 0 0 18 -3,-0.6 3,-1.8 -6,-0.2 -1,-0.2 0.470 81.9 119.5 -97.1 -3.4 23.0 52.0 16.3 49 81 A Y T < S+ 0 0 193 -3,-1.1 3,-0.1 1,-0.3 -3,-0.0 -0.397 83.6 12.0 -63.0 135.4 26.6 53.0 17.2 50 82 A G T 3 S+ 0 0 28 1,-0.3 2,-0.5 -2,-0.1 90,-0.5 0.377 92.2 139.2 79.2 -7.1 29.1 51.0 15.1 51 83 A I < + 0 0 22 -3,-1.8 2,-0.3 88,-0.1 -1,-0.3 -0.612 26.7 177.0 -77.0 123.8 26.3 49.8 12.8 52 84 A K E -C 138 0B 126 86,-3.1 86,-2.6 -2,-0.5 2,-0.6 -0.947 29.8-122.0-126.2 146.7 27.5 49.9 9.2 53 85 A W E +C 137 0B 42 -2,-0.3 2,-0.3 84,-0.2 82,-0.1 -0.806 41.2 164.5 -93.4 120.2 25.6 48.8 6.1 54 86 A K E -C 136 0B 67 82,-2.5 82,-2.6 -2,-0.6 -2,-0.0 -0.973 33.6-122.2-136.4 148.8 27.5 46.1 4.1 55 87 A R >> - 0 0 13 -2,-0.3 3,-2.4 80,-0.2 4,-1.3 -0.613 26.8-119.5 -87.9 150.7 26.7 43.7 1.4 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.1 0.830 117.2 59.0 -55.5 -33.1 27.2 39.9 1.9 57 89 A T H 34 S+ 0 0 49 1,-0.2 -2,-0.0 2,-0.2 52,-0.0 0.545 105.2 49.7 -73.7 -9.0 29.6 40.1 -1.1 58 90 A E H <4 S+ 0 0 118 -3,-2.4 -1,-0.2 1,-0.0 3,-0.1 0.675 114.3 44.0 -98.6 -25.0 31.7 42.6 0.9 59 91 A L H < S+ 0 0 45 -4,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.856 119.6 26.1 -87.5 -40.2 31.7 40.5 4.1 60 92 A L < - 0 0 67 -4,-2.4 -1,-0.1 -5,-0.2 92,-0.0 -0.886 60.4-137.1-128.9 157.8 32.5 37.0 2.7 61 93 A S S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.792 105.9 33.3 -80.9 -27.0 34.2 35.5 -0.4 62 94 A N S S+ 0 0 88 -6,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.394 74.1 170.5-127.6 58.0 31.4 33.0 -0.8 63 95 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.431 14.9-162.5 -69.2 145.4 28.1 34.4 0.3 64 96 A Q B -e 153 0C 50 88,-2.8 90,-1.9 1,-0.2 91,-0.2 -0.959 22.9-148.0-128.4 145.3 25.1 32.1 -0.5 65 97 A F S S+ 0 0 7 -2,-0.4 90,-1.9 1,-0.3 2,-0.4 0.962 91.6 10.1 -74.2 -53.4 21.4 32.9 -0.7 66 98 A I - 0 0 42 41,-0.2 2,-0.4 88,-0.1 -1,-0.3 -0.994 66.8-172.4-130.8 133.9 20.3 29.5 0.4 67 99 A V S S- 0 0 27 2,-0.5 83,-0.1 -2,-0.4 86,-0.1 -0.992 76.9 -10.0-126.2 125.1 22.5 26.7 1.8 68 100 A D S S- 0 0 139 -2,-0.4 -1,-0.2 2,-0.1 3,-0.0 0.932 127.6 -57.5 54.4 46.6 21.2 23.2 2.4 69 101 A G S S- 0 0 39 -3,-0.1 2,-0.9 1,-0.1 -2,-0.5 0.209 71.7 -70.9 70.9 164.1 17.7 24.5 1.8 70 102 A A S S+ 0 0 8 -4,-0.1 2,-0.3 23,-0.1 -1,-0.1 -0.842 71.8 160.1 -94.0 106.1 15.7 27.2 3.5 71 103 A T > - 0 0 50 -2,-0.9 3,-2.3 1,-0.0 4,-0.1 -0.807 54.7 -97.4-128.7 169.6 15.0 25.8 6.9 72 104 A R G > S+ 0 0 51 1,-0.3 3,-1.9 -2,-0.3 18,-0.1 0.783 116.4 63.7 -56.2 -31.4 14.0 26.9 10.4 73 105 A T G 3 S+ 0 0 45 1,-0.3 76,-1.5 17,-0.1 -1,-0.3 0.614 89.6 72.0 -70.2 -8.0 17.6 26.7 11.8 74 106 A D G < S+ 0 0 6 -3,-2.3 2,-0.7 74,-0.2 -1,-0.3 0.479 83.8 80.1 -81.9 -3.5 18.3 29.5 9.3 75 107 A I < + 0 0 1 -3,-1.9 2,-0.5 -4,-0.1 73,-0.2 -0.855 52.3 157.8-111.3 98.3 16.3 31.9 11.5 76 108 A C B -F 147 0D 12 71,-2.2 71,-2.1 -2,-0.7 190,-0.2 -0.951 38.3-125.6-123.8 111.2 18.3 33.1 14.5 77 109 A Q - 0 0 18 188,-3.0 69,-0.1 -2,-0.5 2,-0.1 -0.130 26.2-166.5 -55.0 143.3 17.1 36.4 16.1 78 110 A G - 0 0 24 2,-0.1 2,-1.4 4,-0.0 67,-0.3 -0.055 51.3 -45.7-108.6-148.4 19.4 39.3 16.5 79 111 A A S S+ 0 0 69 65,-2.6 2,-0.3 -2,-0.1 66,-0.1 -0.300 106.2 91.9 -85.4 52.5 19.3 42.5 18.5 80 112 A L S S- 0 0 11 -2,-1.4 2,-1.6 64,-0.1 -2,-0.1 -0.993 78.1-126.6-144.0 138.8 15.7 43.4 17.5 81 113 A G S S+ 0 0 28 -2,-0.3 94,-2.9 1,-0.2 3,-0.2 -0.324 70.5 118.9 -83.4 55.9 12.5 42.5 19.3 82 114 A D >> + 0 0 0 -2,-1.6 4,-2.3 92,-0.2 3,-0.7 -0.146 19.8 131.9-112.6 40.5 10.9 40.9 16.3 83 115 A C H 3> + 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.858 69.9 61.4 -56.2 -38.2 10.4 37.4 17.7 84 116 A W H 3> S+ 0 0 13 -3,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.884 109.6 41.4 -56.8 -40.6 6.8 37.4 16.5 85 117 A L H <> S+ 0 0 0 -3,-0.7 4,-2.1 88,-0.2 -2,-0.2 0.934 115.0 49.0 -72.9 -48.8 8.0 37.8 12.9 86 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.851 107.7 53.9 -62.0 -37.2 10.9 35.3 13.1 87 119 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.888 109.7 51.0 -64.2 -36.4 8.8 32.6 14.7 88 120 A A H X S+ 0 0 0 -4,-1.0 4,-2.5 -5,-0.3 -2,-0.2 0.910 109.2 48.2 -65.7 -45.5 6.4 33.0 11.7 89 121 A I H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.904 110.1 53.1 -63.3 -40.4 9.2 32.7 9.2 90 122 A A H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 3,-0.2 0.923 111.0 45.8 -61.4 -42.1 10.5 29.6 11.0 91 123 A S H >< S+ 0 0 3 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.894 105.6 62.4 -66.9 -38.4 7.0 28.0 10.8 92 124 A L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 7,-0.4 0.865 91.5 65.0 -53.5 -41.2 6.8 29.1 7.1 93 125 A T T 3< S+ 0 0 8 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.629 90.7 66.5 -62.2 -11.0 9.8 26.9 6.2 94 126 A L T < S+ 0 0 64 -3,-2.0 2,-0.5 -4,-0.2 -1,-0.3 0.520 96.2 57.9 -87.4 -6.1 7.7 23.8 7.1 95 127 A N <> - 0 0 22 -3,-2.1 4,-2.4 -4,-0.2 3,-0.5 -0.881 67.1-170.2-125.8 93.5 5.3 24.4 4.2 96 128 A E H > S+ 0 0 109 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.810 82.8 62.5 -54.3 -34.7 7.3 24.4 1.0 97 129 A T H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.940 112.3 34.7 -58.3 -49.2 4.3 25.6 -1.0 98 130 A I H > S+ 0 0 17 -3,-0.5 4,-2.5 2,-0.2 3,-0.3 0.848 116.2 55.6 -75.5 -34.4 4.1 28.9 0.9 99 131 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 -7,-0.4 -2,-0.2 0.932 105.5 52.4 -62.4 -45.1 7.9 29.1 1.4 100 132 A H H < S+ 0 0 94 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.743 111.2 48.2 -63.4 -24.4 8.3 28.9 -2.4 101 133 A R H < S+ 0 0 85 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.921 114.9 42.4 -80.9 -47.1 5.8 31.7 -2.9 102 134 A V H < S+ 0 0 0 -4,-2.5 18,-1.9 1,-0.3 -2,-0.2 0.860 121.9 40.8 -67.5 -38.3 7.3 34.1 -0.3 103 135 A V S < S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 16,-0.1 -0.863 86.1-147.6-116.0 94.6 10.9 33.4 -1.3 104 136 A P - 0 0 17 0, 0.0 3,-0.4 0, 0.0 14,-0.1 -0.281 18.8-126.0 -59.3 141.9 11.2 33.2 -5.1 105 137 A Y S S+ 0 0 119 -5,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.447 81.7 60.4 -90.4 166.3 13.8 30.8 -6.4 106 138 A G S S+ 0 0 72 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.559 71.2 131.1 96.5 10.2 16.6 31.5 -8.8 107 139 A Q + 0 0 14 -3,-0.4 -1,-0.3 11,-0.1 2,-0.3 -0.806 25.2 142.1 -99.5 138.7 18.2 34.2 -6.6 108 140 A S - 0 0 36 -2,-0.4 -44,-0.1 3,-0.1 -3,-0.0 -0.972 57.8-115.2-161.8 172.7 22.0 34.0 -5.9 109 141 A F S S+ 0 0 15 -2,-0.3 3,-0.1 -46,-0.3 4,-0.1 0.298 98.1 63.1 -99.4 6.8 25.2 36.0 -5.4 110 142 A Q S > S+ 0 0 99 1,-0.3 3,-2.0 2,-0.1 -2,-0.1 0.434 97.4 18.6 -97.5-122.1 26.8 34.5 -8.5 111 143 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 -0.194 131.9 10.1 -54.2 134.0 25.6 34.8 -12.1 112 144 A G T 3 S+ 0 0 23 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.558 87.9 154.0 75.0 6.4 23.3 37.8 -12.7 113 145 A Y < + 0 0 38 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.1 -0.546 11.0 160.1 -71.4 128.4 23.9 39.2 -9.3 114 146 A A - 0 0 1 2,-0.3 -90,-2.9 -2,-0.3 -1,-0.1 0.032 66.9 -91.8-136.9 25.0 23.4 42.9 -9.1 115 147 A G S S+ 0 0 0 -92,-0.2 19,-1.4 1,-0.2 2,-0.4 0.734 93.1 110.6 72.3 23.2 22.9 43.6 -5.4 116 148 A I E +B 133 0A 4 17,-0.3 -2,-0.3 18,-0.1 2,-0.3 -0.985 37.5 173.0-134.3 141.6 19.1 43.2 -5.5 117 149 A F E -B 132 0A 1 15,-2.9 15,-2.3 -2,-0.4 2,-0.3 -0.881 12.1-152.3-136.6 169.0 16.7 40.5 -4.2 118 150 A H E -B 131 0A 21 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.999 10.1-178.7-149.5 153.2 12.9 40.2 -4.0 119 151 A F E -B 130 0A 0 11,-2.3 11,-3.5 -2,-0.3 2,-0.4 -0.918 22.5-126.3-142.5 163.1 10.2 38.5 -1.9 120 152 A Q E +B 129 0A 27 -18,-1.9 2,-0.3 -2,-0.3 9,-0.2 -0.952 26.9 175.8-120.6 137.7 6.5 38.3 -2.0 121 153 A L E -B 128 0A 0 7,-2.4 7,-3.2 -2,-0.4 2,-1.0 -0.926 38.6-111.8-135.2 158.6 4.1 39.1 0.8 122 154 A W E +B 127 0A 81 62,-3.7 2,-0.3 -2,-0.3 5,-0.2 -0.827 61.3 147.8 -92.0 101.9 0.3 39.4 1.4 123 155 A Q E > +B 126 0A 26 3,-3.0 3,-1.8 -2,-1.0 -2,-0.1 -0.955 50.8 11.3-137.2 156.8 -0.1 43.1 1.9 124 156 A F T 3 S- 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.806 132.8 -53.8 47.2 35.0 -2.6 45.8 1.2 125 157 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.759 124.5 61.7 75.6 24.6 -5.1 43.1 0.4 126 158 A E E < S- B 0 123A 81 -3,-1.8 -3,-3.0 -5,-0.0 2,-0.6 -0.992 90.7 -81.6-169.3 167.3 -3.0 41.4 -2.2 127 159 A W E - B 0 122A 52 -2,-0.3 -124,-2.3 -5,-0.2 2,-0.4 -0.704 51.7-174.6 -80.7 121.2 0.2 39.5 -3.1 128 160 A V E -aB 3 121A 5 -7,-3.2 -7,-2.4 -2,-0.6 2,-0.5 -0.923 23.7-133.6-123.3 146.1 3.0 42.0 -3.6 129 161 A D E -aB 4 120A 6 -126,-3.0 -124,-2.7 -2,-0.4 2,-0.5 -0.852 23.2-165.3 -97.7 126.7 6.6 41.7 -4.8 130 162 A V E - B 0 119A 0 -11,-3.5 -11,-2.3 -2,-0.5 2,-0.3 -0.948 2.8-155.7-115.7 130.6 9.0 43.7 -2.6 131 163 A V E + B 0 118A 1 -2,-0.5 2,-0.3 -126,-0.2 -13,-0.2 -0.751 12.7 178.5-103.3 153.5 12.6 44.4 -3.8 132 164 A V E - B 0 117A 0 -15,-2.3 -15,-2.9 -2,-0.3 2,-0.2 -0.984 27.4-126.6-148.5 148.3 15.5 45.1 -1.5 133 165 A D E - B 0 116A 0 -2,-0.3 -17,-0.3 -104,-0.3 -108,-0.1 -0.633 34.1-115.1 -88.0 159.3 19.2 45.8 -2.1 134 166 A D S S+ 0 0 0 -19,-1.4 2,-0.5 -2,-0.2 -18,-0.1 0.223 71.9 127.4 -84.5 17.5 21.5 43.5 -0.1 135 167 A L - 0 0 13 -20,-0.2 -80,-0.2 -80,-0.2 -2,-0.1 -0.630 42.4-172.5 -72.0 120.7 23.1 46.2 2.0 136 168 A L E -C 54 0B 3 -82,-2.6 -82,-2.5 -2,-0.5 2,-0.2 -0.894 30.1-100.3-120.7 150.7 22.5 44.8 5.6 137 169 A P E +C 53 0B 3 0, 0.0 7,-1.7 0, 0.0 8,-0.5 -0.477 51.7 173.0 -66.6 128.5 23.1 46.3 9.0 138 170 A T E -CD 52 143B 0 -86,-2.6 -86,-3.1 5,-0.2 2,-0.4 -0.950 24.7-163.8-137.9 158.1 26.4 45.0 10.4 139 171 A K E > S- D 0 142B 106 3,-2.6 3,-2.0 -2,-0.3 -88,-0.1 -0.971 81.8 -9.6-142.7 124.3 28.6 45.5 13.4 140 172 A D T 3 S- 0 0 145 -90,-0.5 3,-0.1 -2,-0.4 -89,-0.1 0.891 130.1 -56.0 55.0 39.6 32.2 44.3 13.5 141 173 A G T 3 S+ 0 0 29 1,-0.2 2,-0.3 -89,-0.1 -1,-0.3 0.464 117.5 107.2 75.0 1.6 31.6 42.4 10.3 142 174 A K E < S-D 139 0B 155 -3,-2.0 -3,-2.6 5,-0.0 -1,-0.2 -0.867 78.5-100.0-115.4 147.5 28.6 40.4 11.8 143 175 A L E -D 138 0B 35 -2,-0.3 -5,-0.2 -5,-0.2 4,-0.1 -0.391 25.9-157.1 -63.1 135.7 24.9 40.8 11.1 144 176 A V S S+ 0 0 24 -7,-1.7 -65,-2.6 -66,-0.1 -1,-0.1 0.856 75.2 31.1 -83.4 -39.0 23.1 42.8 13.8 145 177 A F S S- 0 0 7 -8,-0.5 12,-0.1 1,-0.3 -66,-0.1 0.241 117.0 -5.9 -97.6-139.1 19.6 41.5 13.2 146 178 A V + 0 0 3 11,-0.1 -1,-0.3 -68,-0.1 2,-0.3 -0.211 67.7 167.9 -60.0 144.1 18.4 38.1 12.0 147 179 A H B -F 76 0D 70 -71,-2.1 -71,-2.2 -3,-0.1 2,-0.3 -0.939 30.5-107.5-147.8 167.2 21.1 35.6 10.9 148 180 A S - 0 0 7 5,-0.5 -74,-0.2 2,-0.3 5,-0.1 -0.696 22.3-123.6-101.4 154.7 21.4 31.9 10.0 149 181 A A S S+ 0 0 73 -76,-1.5 2,-0.8 -2,-0.3 -75,-0.1 0.826 107.7 73.2 -60.4 -28.7 23.1 29.1 11.9 150 182 A Q S > S- 0 0 84 1,-0.1 3,-1.9 -77,-0.1 -2,-0.3 -0.803 85.2-148.4 -87.8 108.4 25.0 28.8 8.6 151 183 A G T 3 S+ 0 0 60 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.647 91.2 48.2 -54.2 -22.9 27.3 31.8 8.7 152 184 A N T 3 S+ 0 0 43 -89,-0.1 -88,-2.8 -90,-0.0 2,-0.4 0.147 88.5 103.0-106.8 20.2 27.4 32.4 4.9 153 185 A E B < +e 64 0C 3 -3,-1.9 -5,-0.5 -90,-0.2 -88,-0.2 -0.878 37.6 170.1-105.2 134.3 23.6 32.1 4.3 154 186 A F > + 0 0 4 -90,-1.9 4,-2.2 -2,-0.4 5,-0.2 0.468 44.5 99.3-125.3 1.9 21.6 35.3 3.7 155 187 A W H > S+ 0 0 0 -90,-1.9 4,-2.3 -91,-0.2 5,-0.2 0.892 90.1 47.2 -59.5 -39.4 18.0 34.6 2.6 156 188 A S H > S+ 0 0 1 2,-0.2 4,-2.1 -91,-0.2 -1,-0.2 0.867 111.0 50.8 -70.8 -34.9 16.5 35.1 6.1 157 189 A A H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 113.3 46.7 -67.8 -39.3 18.4 38.3 6.7 158 190 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.867 110.5 51.5 -71.0 -36.2 17.2 39.6 3.4 159 191 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.908 108.4 52.0 -66.2 -41.4 13.5 38.6 4.0 160 192 A E H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 108.9 51.8 -61.7 -38.1 13.6 40.3 7.3 161 193 A K H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.920 108.3 49.7 -65.1 -42.4 14.8 43.4 5.6 162 194 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.884 111.8 49.0 -63.4 -37.0 12.0 43.3 3.0 163 195 A Y H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.886 111.0 50.0 -69.8 -35.9 9.5 42.9 5.8 164 196 A A H >< S+ 0 0 0 -4,-2.2 3,-0.5 -5,-0.2 5,-0.5 0.911 107.6 56.1 -66.3 -39.6 11.2 45.9 7.5 165 197 A K H >< S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.919 105.0 49.0 -58.9 -47.4 10.9 47.9 4.3 166 198 A V H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.731 114.8 47.1 -67.4 -20.0 7.1 47.5 3.9 167 199 A N T << S- 0 0 66 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.361 118.5-108.9-100.9 2.3 6.7 48.6 7.6 168 200 A G S < S- 0 0 47 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.1 -0.125 80.4 -1.8 102.0 -40.2 9.0 51.6 7.3 169 201 A S S S- 0 0 8 -5,-0.5 4,-0.4 -6,-0.1 3,-0.3 -0.979 73.1 -96.3-171.7 169.2 12.1 50.5 9.3 170 202 A Y S > S+ 0 0 1 -135,-2.0 3,-1.9 -2,-0.3 4,-0.3 0.902 119.6 58.0 -65.2 -39.9 13.6 47.7 11.4 171 203 A E G > S+ 0 0 18 -135,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.821 93.8 66.5 -62.2 -28.3 12.5 49.4 14.7 172 204 A A G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.729 96.1 58.7 -63.2 -20.0 8.9 49.3 13.4 173 205 A L G < S+ 0 0 0 -3,-1.9 2,-0.7 -4,-0.4 -1,-0.3 0.565 77.1 110.0 -86.0 -10.3 9.2 45.5 13.8 174 206 A S S < S+ 0 0 67 -3,-1.8 -92,-0.2 -4,-0.3 -3,-0.0 -0.550 82.5 10.0 -71.2 110.8 10.0 45.7 17.5 175 207 A G S S+ 0 0 54 -94,-2.9 2,-0.3 -2,-0.7 -93,-0.1 0.527 83.4 134.7 90.8 121.0 7.0 44.3 19.3 176 208 A G - 0 0 50 -95,-0.0 2,-0.4 4,-0.0 3,-0.1 -0.927 49.2 -81.6-170.3-164.8 4.2 42.5 17.5 177 209 A C >> - 0 0 40 -2,-0.3 3,-1.2 1,-0.1 4,-1.1 -0.990 23.6-141.5-128.2 124.8 1.8 39.7 17.1 178 210 A T H >> S+ 0 0 6 -2,-0.4 4,-2.5 1,-0.3 3,-0.7 0.892 102.3 58.7 -50.7 -45.7 2.6 36.3 15.6 179 211 A S H 3> S+ 0 0 15 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.815 98.9 59.6 -55.3 -33.5 -0.7 36.1 13.8 180 212 A E H <> S+ 0 0 92 -3,-1.2 4,-1.6 2,-0.2 -1,-0.3 0.906 109.0 42.9 -63.1 -41.1 0.0 39.4 12.0 181 213 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.8 0.932 109.0 46.9 -52.5 -48.5 1.3 34.6 9.7 183 215 A E H >X S+ 0 0 73 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.865 106.6 56.5 -64.0 -36.4 -1.3 36.5 7.7 184 216 A D H 3< S+ 0 0 22 -4,-1.6 -62,-3.7 1,-0.2 -1,-0.2 0.701 113.3 42.3 -69.1 -18.1 1.3 38.6 5.8 185 217 A F H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.531 132.8 17.0-102.9 -8.3 2.8 35.3 4.6 186 218 A T H << S- 0 0 16 -4,-0.8 136,-0.2 -3,-0.6 -3,-0.2 0.634 75.0-138.1-133.0 -33.9 -0.4 33.4 3.8 187 219 A G < + 0 0 35 -4,-2.5 -4,-0.1 -5,-0.3 -3,-0.1 0.718 65.9 134.2 71.7 18.1 -3.4 35.7 3.5 188 220 A G - 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