==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-06 2G8J . COMPND 2 MOLECULE: CALPAIN-1 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR D.CUERRIER,T.MOLDOVEANU,P.L.DAVIES,R.L.CAMPBELL . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 64.3 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 . 55 17.1 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 . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 19.9 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+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 4 0 0 1 2 0 1 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 . 3 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 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 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 0 211 0, 0.0 126,-0.1 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 134.2 -18.8 -2.3 10.1 2 34 A A - 0 0 22 126,-0.1 126,-0.2 1,-0.1 2,-0.2 -0.142 360.0-120.3 -53.6 138.5 -18.0 -4.5 7.2 3 35 A I E -a 128 0A 91 124,-1.9 126,-2.7 1,-0.1 2,-0.5 -0.542 34.2-100.5 -79.6 155.6 -18.4 -8.2 7.8 4 36 A K E > -a 129 0A 95 124,-0.2 3,-2.1 -2,-0.2 126,-0.2 -0.639 29.5-124.3 -89.2 119.7 -15.3 -10.4 7.3 5 37 A Y G > S- 0 0 37 124,-2.6 3,-2.0 -2,-0.5 126,-0.2 -0.394 96.1 -7.2 -59.0 125.2 -15.1 -12.3 4.1 6 38 A L G 3 S- 0 0 112 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.577 121.5 -76.1 62.9 8.7 -14.7 -16.1 4.9 7 39 A G G < S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.3 -1,-0.3 0.504 87.6 153.4 77.0 5.9 -14.3 -15.0 8.6 8 40 A Q < - 0 0 30 -3,-2.0 2,-0.8 121,-0.1 -1,-0.3 -0.558 34.2-150.6 -70.5 127.9 -10.8 -13.8 8.0 9 41 A D > - 0 0 58 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 -0.863 7.2-162.0-111.5 101.0 -10.0 -11.0 10.5 10 42 A Y H > S+ 0 0 31 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.905 88.7 40.8 -47.7 -60.5 -7.5 -8.4 9.2 11 43 A E H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 117.2 48.8 -63.4 -40.1 -6.5 -6.9 12.5 12 44 A N H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 114.1 45.6 -64.0 -45.2 -6.4 -10.2 14.4 13 45 A L H X S+ 0 0 30 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.908 114.4 49.4 -63.5 -43.7 -4.3 -11.8 11.6 14 46 A R H X S+ 0 0 43 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.949 112.4 46.0 -60.3 -49.6 -2.0 -8.8 11.4 15 47 A A H X S+ 0 0 40 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.892 114.1 49.1 -64.1 -38.7 -1.4 -8.6 15.2 16 48 A R H X S+ 0 0 112 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.918 110.1 50.1 -70.3 -41.8 -0.8 -12.4 15.4 17 49 A C H X>S+ 0 0 14 -4,-2.6 5,-2.2 2,-0.2 4,-0.6 0.933 111.5 49.8 -57.9 -45.0 1.7 -12.4 12.5 18 50 A L H ><5S+ 0 0 76 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.930 113.0 46.2 -60.2 -44.4 3.5 -9.5 14.2 19 51 A Q H 3<5S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.9 49.4 -63.7 -37.9 3.6 -11.4 17.5 20 52 A N H 3<5S- 0 0 97 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.443 110.6-121.9 -84.5 -4.0 4.8 -14.6 15.8 21 53 A G T <<5S+ 0 0 69 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.793 73.8 110.3 70.9 30.2 7.6 -12.8 13.9 22 54 A V < - 0 0 79 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.879 68.1-114.0-131.5 163.6 6.2 -13.9 10.5 23 55 A L - 0 0 64 -2,-0.3 92,-0.2 -3,-0.1 110,-0.1 -0.813 43.3-100.3 -95.8 141.6 4.6 -12.4 7.4 24 56 A F - 0 0 16 90,-3.1 2,-0.4 -2,-0.4 110,-0.3 -0.256 31.6-169.0 -58.1 141.0 1.0 -13.4 6.5 25 57 A Q - 0 0 122 108,-0.1 2,-0.9 109,-0.1 3,-0.1 -0.995 25.6-126.4-131.2 128.5 0.4 -16.0 3.8 26 58 A D > - 0 0 0 -2,-0.4 3,-1.6 3,-0.3 107,-0.1 -0.643 20.2-171.1 -88.5 104.3 -3.2 -16.3 2.8 27 59 A D T 3 S+ 0 0 155 -2,-0.9 -1,-0.2 1,-0.3 0, 0.0 0.798 89.0 57.0 -58.7 -28.0 -4.6 -19.8 2.9 28 60 A A T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.569 127.8 12.5 -79.5 -13.4 -7.7 -18.6 1.2 29 61 A F S < S- 0 0 6 -3,-1.6 -3,-0.3 140,-0.0 104,-0.3 -0.426 91.0-169.5-163.2 67.9 -5.9 -17.3 -1.9 30 62 A P - 0 0 44 0, 0.0 2,-2.1 0, 0.0 5,-0.2 -0.183 36.2 -97.3 -74.9 162.9 -2.3 -18.6 -1.7 31 63 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.480 87.5 102.7 -79.9 68.4 0.8 -17.7 -3.7 32 64 A V S >> S- 0 0 69 -2,-2.1 3,-2.0 20,-0.1 4,-0.6 -0.901 88.3 -89.0-147.2 170.1 0.4 -20.6 -6.2 33 65 A S H >> S+ 0 0 31 1,-0.3 4,-2.4 -2,-0.3 3,-1.1 0.777 115.7 67.0 -62.4 -30.3 -0.8 -21.1 -9.8 34 66 A H H 34 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.726 98.5 54.6 -64.5 -21.2 -4.4 -21.8 -8.9 35 67 A S H <4 S+ 0 0 4 -3,-2.0 135,-2.1 -5,-0.2 -1,-0.3 0.722 108.1 50.5 -77.3 -25.2 -4.7 -18.1 -7.7 36 68 A L H << S- 0 0 2 -3,-1.1 135,-2.5 -4,-0.6 2,-0.3 0.933 121.3 -89.0 -73.8 -50.3 -3.4 -17.0 -11.2 37 69 A G < - 0 0 3 -4,-2.4 -1,-0.3 4,-0.5 131,-0.0 -0.987 19.7 -99.1 167.9-157.1 -5.9 -19.1 -13.1 38 70 A F S S+ 0 0 137 -2,-0.3 4,-0.1 4,-0.2 -1,-0.1 0.506 97.9 11.1-140.1 -19.2 -7.0 -22.3 -14.8 39 71 A K S > S+ 0 0 151 3,-0.1 3,-1.5 4,-0.1 5,-0.1 0.427 135.1 21.5-131.9 -81.6 -6.4 -22.1 -18.6 40 72 A E T 3 S+ 0 0 110 1,-0.3 7,-0.5 5,-0.1 8,-0.4 0.807 143.5 31.1 -65.2 -29.8 -4.4 -19.2 -20.0 41 73 A L T 3 S+ 0 0 10 6,-0.1 -4,-0.5 5,-0.1 -1,-0.3 -0.117 98.3 135.8-115.7 34.8 -2.9 -18.9 -16.5 42 74 A G S X S- 0 0 3 -3,-1.5 3,-1.8 -6,-0.1 6,-0.3 -0.189 73.1 -92.3 -77.3 173.6 -3.2 -22.6 -15.6 43 75 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.829 125.7 37.1 -58.9 -32.7 -0.5 -24.8 -14.0 44 76 A N T 3 S+ 0 0 129 -5,-0.1 2,-0.2 4,-0.1 -4,-0.0 0.157 92.4 117.6-105.5 18.5 1.0 -25.9 -17.3 45 77 A S S <> S- 0 0 19 -3,-1.8 4,-2.2 1,-0.1 -5,-0.1 -0.587 70.2-123.9 -93.4 150.2 0.6 -22.7 -19.3 46 78 A S H > S+ 0 0 110 -2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.863 112.1 51.8 -54.5 -40.8 3.4 -20.5 -20.8 47 79 A K H >4 S+ 0 0 130 -7,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.918 108.8 49.3 -65.9 -43.5 2.2 -17.5 -18.9 48 80 A T H >4 S+ 0 0 14 -8,-0.4 3,-2.1 -6,-0.3 -2,-0.2 0.927 102.5 62.7 -61.0 -45.6 2.2 -19.2 -15.5 49 81 A Y H 3< S+ 0 0 153 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 102.0 50.9 -52.2 -31.8 5.7 -20.6 -16.0 50 82 A G T << S+ 0 0 27 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.3 0.389 92.2 96.1 -89.5 3.8 7.2 -17.1 -16.1 51 83 A I < - 0 0 22 -3,-2.1 2,-0.4 -4,-0.2 88,-0.2 -0.789 45.6-177.6-104.9 134.2 5.6 -15.8 -12.9 52 84 A K E -C 138 0B 142 86,-3.0 86,-1.9 -2,-0.4 2,-0.5 -0.991 27.3-124.9-124.9 138.7 7.1 -15.7 -9.4 53 85 A W E +C 137 0B 41 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.704 39.2 166.1 -84.9 126.2 5.3 -14.4 -6.4 54 86 A K E -C 136 0B 64 82,-2.4 82,-2.3 -2,-0.5 -2,-0.0 -0.994 32.8-124.6-141.8 142.3 7.1 -11.7 -4.5 55 87 A R >> - 0 0 14 -2,-0.3 3,-2.1 80,-0.2 4,-1.2 -0.547 29.0-117.6 -77.6 152.2 6.2 -9.1 -1.8 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.806 118.6 60.9 -56.2 -28.6 6.8 -5.4 -2.5 57 89 A T H 34 S+ 0 0 50 1,-0.2 -2,-0.0 2,-0.2 52,-0.0 0.501 104.3 49.0 -77.2 -9.4 9.3 -5.6 0.5 58 90 A E H <4 S+ 0 0 120 -3,-2.1 -1,-0.2 1,-0.0 3,-0.1 0.662 114.2 45.8 -94.2 -25.9 11.2 -8.1 -1.6 59 91 A L H < S+ 0 0 42 -4,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.803 118.6 22.3 -84.6 -37.0 11.2 -5.9 -4.7 60 92 A L < - 0 0 68 -4,-2.0 -1,-0.1 1,-0.1 92,-0.0 -0.944 60.7-132.6-138.2 152.6 12.1 -2.5 -3.4 61 93 A S S S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.860 107.9 29.7 -70.4 -32.4 13.9 -0.9 -0.4 62 94 A N S S+ 0 0 90 -6,-0.1 -1,-0.2 -3,-0.1 -5,-0.1 -0.488 75.1 174.3-132.1 60.1 11.0 1.6 0.1 63 95 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.412 14.3-158.7 -66.7 148.4 7.7 0.2 -1.1 64 96 A Q B -e 153 0C 48 88,-2.7 90,-2.3 1,-0.2 91,-0.3 -0.975 22.5-150.4-131.2 140.9 4.7 2.5 -0.4 65 97 A F S S+ 0 0 8 -2,-0.4 90,-2.2 1,-0.3 2,-0.4 0.977 91.9 10.7 -69.7 -58.7 1.0 1.7 -0.1 66 98 A I - 0 0 53 41,-0.2 2,-0.4 88,-0.1 -1,-0.3 -0.989 66.9-173.0-126.5 135.9 -0.1 5.2 -1.3 67 99 A V S S- 0 0 24 2,-0.5 83,-0.1 -2,-0.4 86,-0.1 -0.994 76.5 -12.1-127.3 124.5 2.2 7.8 -2.9 68 100 A D S S- 0 0 147 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.863 128.9 -51.9 51.6 40.7 0.9 11.3 -3.6 69 101 A G S S- 0 0 35 1,-0.1 2,-0.9 2,-0.0 -2,-0.5 0.149 70.6 -75.8 83.6 157.7 -2.7 10.1 -3.0 70 102 A A S S+ 0 0 6 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.844 74.1 159.0 -89.6 100.1 -4.6 7.1 -4.4 71 103 A T > - 0 0 48 -2,-0.9 3,-2.0 23,-0.0 4,-0.1 -0.756 56.6 -97.5-127.4 171.3 -5.4 8.6 -7.9 72 104 A R G > S+ 0 0 50 1,-0.3 3,-1.7 -2,-0.2 18,-0.1 0.758 115.7 65.6 -64.9 -26.8 -6.3 7.4 -11.4 73 105 A T G 3 S+ 0 0 61 1,-0.3 76,-1.6 17,-0.1 -1,-0.3 0.579 89.6 70.9 -68.3 -11.0 -2.7 7.6 -12.7 74 106 A D G < S+ 0 0 4 -3,-2.0 2,-0.8 74,-0.2 -1,-0.3 0.463 82.0 82.8 -79.9 -4.6 -2.0 4.8 -10.2 75 107 A I < + 0 0 0 -3,-1.7 2,-0.5 73,-0.1 73,-0.2 -0.837 50.9 157.5-111.0 92.8 -4.1 2.4 -12.5 76 108 A C B -F 147 0D 15 71,-2.1 71,-2.0 -2,-0.8 190,-0.2 -0.955 39.0-127.2-120.4 108.2 -1.9 1.1 -15.3 77 109 A Q - 0 0 26 188,-2.6 69,-0.1 -2,-0.5 2,-0.1 -0.221 25.6-167.0 -56.0 139.0 -3.2 -2.2 -16.7 78 110 A G - 0 0 23 2,-0.1 2,-1.7 4,-0.0 67,-0.3 -0.048 50.5 -46.3-102.4-146.8 -0.9 -5.2 -17.0 79 111 A A S S+ 0 0 71 65,-2.7 2,-0.3 -2,-0.1 66,-0.1 -0.432 102.1 93.7 -91.1 63.3 -1.2 -8.5 -18.9 80 112 A L S S- 0 0 17 -2,-1.7 2,-1.2 93,-0.1 3,-0.1 -0.985 78.7-119.6-152.6 144.4 -4.7 -9.4 -17.9 81 113 A G S S+ 0 0 30 -2,-0.3 94,-3.0 1,-0.2 3,-0.3 -0.052 76.7 114.0 -78.0 37.2 -8.1 -8.9 -19.6 82 114 A D > + 0 0 0 -2,-1.2 4,-2.3 92,-0.2 3,-0.3 -0.050 21.7 129.9-101.9 36.8 -9.5 -6.8 -16.7 83 115 A C H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 72.6 57.9 -54.3 -41.0 -9.9 -3.4 -18.4 84 116 A W H > S+ 0 0 12 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.919 108.7 44.1 -54.1 -48.9 -13.5 -3.2 -17.0 85 117 A L H > S+ 0 0 0 -3,-0.3 4,-2.2 88,-0.2 -1,-0.2 0.919 115.0 48.9 -61.4 -45.4 -12.4 -3.6 -13.4 86 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.881 107.0 54.2 -69.7 -36.4 -9.5 -1.1 -13.9 87 119 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.912 110.2 49.7 -58.2 -41.5 -11.7 1.5 -15.6 88 120 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.899 109.8 48.8 -66.2 -43.9 -13.9 1.2 -12.5 89 121 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.947 110.4 51.4 -61.5 -45.0 -11.0 1.7 -10.0 90 122 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.929 112.6 45.7 -58.9 -44.8 -9.8 4.7 -11.9 91 123 A S H >< S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.907 106.6 60.9 -62.6 -40.0 -13.3 6.2 -11.8 92 124 A L H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 7,-0.4 0.861 92.5 65.7 -52.2 -39.8 -13.5 5.3 -8.1 93 125 A T T 3< S+ 0 0 12 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.679 89.3 67.1 -62.1 -18.1 -10.5 7.5 -7.3 94 126 A L T < S+ 0 0 70 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.3 0.509 93.3 63.4 -80.6 -3.7 -12.5 10.6 -8.3 95 127 A N <> - 0 0 23 -3,-2.1 4,-2.6 -4,-0.2 -1,-0.2 -0.887 68.5-167.9-124.8 96.9 -14.8 10.2 -5.3 96 128 A E H > S+ 0 0 118 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.855 82.6 53.8 -51.3 -47.2 -12.7 10.5 -2.1 97 129 A T H > S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.938 115.6 35.8 -58.4 -52.9 -15.4 9.2 0.2 98 130 A I H >> S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.869 111.7 62.5 -76.1 -31.3 -16.1 5.9 -1.6 99 131 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.5 -7,-0.4 -1,-0.2 0.930 107.0 43.6 -52.1 -50.2 -12.4 5.5 -2.5 100 132 A H H 3< S+ 0 0 26 -4,-2.0 5,-0.3 2,-0.2 -1,-0.2 0.520 107.1 59.3 -88.4 -0.1 -11.4 5.3 1.1 101 133 A R H << S+ 0 0 82 -3,-0.7 19,-0.2 -4,-0.6 -1,-0.2 0.893 114.2 38.2 -72.5 -51.5 -14.3 3.0 2.0 102 134 A V H < S+ 0 0 0 -4,-2.3 18,-1.9 1,-0.3 -2,-0.2 0.862 125.7 40.2 -66.2 -39.0 -12.9 0.5 -0.5 103 135 A V S < S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 16,-0.1 -0.843 91.1-147.5-114.5 89.6 -9.3 1.3 0.4 104 136 A P - 0 0 18 0, 0.0 3,-0.4 0, 0.0 14,-0.1 -0.232 15.8-114.4 -61.6 148.8 -9.1 1.7 4.2 105 137 A Y S S+ 0 0 164 -5,-0.3 -5,-0.0 1,-0.2 0, 0.0 -0.305 87.3 53.0 -71.7 159.1 -6.7 4.1 5.8 106 138 A G + 0 0 76 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.599 68.2 134.0 96.6 16.5 -3.9 3.1 8.0 107 139 A Q + 0 0 15 -3,-0.4 2,-0.3 11,-0.0 -1,-0.3 -0.849 24.8 153.8-105.9 132.0 -2.1 0.6 5.8 108 140 A S - 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0 0 8 5,-0.6 -74,-0.2 2,-0.4 5,-0.1 -0.643 22.4-124.3 -94.1 151.8 1.1 2.4 -10.7 149 181 A A S S+ 0 0 77 -76,-1.6 2,-0.9 -2,-0.2 -75,-0.1 0.785 108.7 74.3 -57.6 -29.2 2.8 5.0 -12.8 150 182 A Q S > S- 0 0 81 1,-0.1 3,-2.3 -77,-0.1 -2,-0.4 -0.809 85.5-151.0 -83.1 103.6 4.7 5.6 -9.4 151 183 A G T 3 S+ 0 0 64 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.569 89.4 49.7 -61.7 -13.6 6.8 2.4 -9.5 152 184 A N T 3 S+ 0 0 32 -89,-0.1 -88,-2.7 -90,-0.0 2,-0.4 0.148 88.4 102.6-109.5 20.3 7.0 2.1 -5.7 153 185 A E B < +e 64 0C 2 -3,-2.3 -5,-0.6 -90,-0.2 -88,-0.2 -0.894 38.4 170.7-109.2 131.7 3.3 2.4 -5.1 154 186 A F > + 0 0 5 -90,-2.3 4,-2.5 -2,-0.4 5,-0.2 0.455 45.3 99.7-122.6 -2.5 1.2 -0.8 -4.4 155 187 A W H > S+ 0 0 0 -90,-2.2 4,-2.7 -91,-0.3 5,-0.2 0.905 90.9 45.8 -56.1 -42.6 -2.4 0.0 -3.3 156 188 A S H > S+ 0 0 0 -91,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 111.7 51.4 -72.7 -37.0 -3.9 -0.6 -6.8 157 189 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 113.1 46.0 -59.2 -45.0 -1.9 -3.9 -7.2 158 190 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.894 112.0 51.2 -69.4 -37.4 -3.2 -5.1 -3.9 159 191 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.919 108.7 50.2 -64.3 -46.0 -6.8 -4.0 -4.6 160 192 A E H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 110.0 52.9 -59.8 -37.9 -6.7 -5.9 -8.0 161 193 A K H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.927 107.9 49.5 -61.9 -43.7 -5.5 -8.9 -6.0 162 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.897 111.3 49.6 -61.3 -40.4 -8.3 -8.7 -3.5 163 195 A Y H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.908 109.9 50.4 -66.3 -40.6 -10.8 -8.5 -6.4 164 196 A A H X>S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.2 5,-0.7 0.941 107.8 57.1 -56.3 -45.4 -9.2 -11.5 -8.0 165 197 A K H ><5S+ 0 0 7 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.904 105.8 46.1 -51.9 -52.5 -9.5 -13.3 -4.7 166 198 A V H 3<5S+ 0 0 17 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.785 115.9 48.4 -67.8 -26.6 -13.3 -12.8 -4.4 167 199 A N H 3<5S- 0 0 67 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.457 117.9-111.7 -90.2 -4.3 -13.7 -14.0 -8.0 168 200 A G T <<5S+ 0 0 47 -3,-1.2 2,-0.3 -4,-0.8 -3,-0.2 -0.043 80.4 2.6 105.3 -32.9 -11.4 -17.0 -7.5 169 201 A S S S+ 0 0 1 -135,-2.1 3,-2.2 -2,-0.3 -133,-0.2 0.909 120.8 57.6 -62.4 -41.9 -6.8 -13.5 -11.7 171 203 A E G > S+ 0 0 17 -135,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.845 92.6 68.5 -61.9 -30.2 -7.9 -15.3 -14.9 172 204 A A G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -136,-0.1 -2,-0.2 0.697 94.5 59.7 -58.8 -19.3 -11.5 -15.1 -13.6 173 205 A L G < S+ 0 0 0 -3,-2.2 2,-0.8 -4,-0.3 -1,-0.3 0.399 74.3 116.0 -88.2 -1.2 -11.2 -11.3 -14.3 174 206 A S S < S+ 0 0 62 -3,-2.3 -92,-0.2 -4,-0.2 -3,-0.0 -0.616 81.6 2.7 -75.4 108.7 -10.5 -11.7 -18.0 175 207 A G S S+ 0 0 55 -94,-3.0 2,-0.3 -2,-0.8 -93,-0.1 0.565 85.8 133.6 83.4 125.0 -13.4 -10.1 -19.8 176 208 A G - 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