==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-APR-05 1ZCM . COMPND 2 MOLECULE: CALPAIN 1, LARGE [CATALYTIC] SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.LI,R.P.HANZLIK,R.F.WEAVER,E.SCHONBRUNN . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 66.0 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 . 56 17.4 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 . 1 0.3 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 . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 19.0 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 2 0 0 4 0 0 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 . 3 1 2 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 0 208 0, 0.0 126,-0.1 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 138.9 -50.2 -9.8 29.1 2 34 A A - 0 0 25 1,-0.1 126,-0.3 126,-0.1 2,-0.2 -0.250 360.0-113.7 -68.0 151.7 -47.0 -9.5 31.1 3 35 A I E -a 128 0A 86 124,-2.6 126,-3.5 1,-0.1 2,-0.6 -0.544 36.6-105.4 -80.6 147.6 -45.3 -12.5 32.8 4 36 A K E > -a 129 0A 105 124,-0.2 3,-2.1 -2,-0.2 2,-0.2 -0.659 32.1-124.7 -82.8 119.4 -45.2 -12.4 36.6 5 37 A Y G > S- 0 0 53 124,-2.7 3,-2.5 -2,-0.6 126,-0.2 -0.420 92.1 -8.3 -62.8 127.1 -41.8 -11.5 38.0 6 38 A L G 3 S- 0 0 104 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.726 123.7 -71.8 56.0 22.8 -40.6 -14.3 40.3 7 39 A G G < S+ 0 0 59 -3,-2.1 2,-0.4 1,-0.2 -1,-0.3 0.558 90.7 156.0 73.1 7.2 -44.0 -15.7 40.0 8 40 A Q < - 0 0 26 -3,-2.5 2,-0.8 121,-0.1 -1,-0.2 -0.551 31.1-154.9 -76.0 122.8 -45.4 -12.9 42.1 9 41 A D > - 0 0 40 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 -0.835 5.5-165.6-102.3 102.3 -49.1 -12.3 41.5 10 42 A Y H > S+ 0 0 36 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.915 87.0 44.6 -51.7 -57.0 -50.1 -8.7 42.3 11 43 A E H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 116.2 47.4 -57.3 -43.7 -53.9 -9.1 42.3 12 44 A Q H > S+ 0 0 85 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.971 114.6 44.4 -61.3 -58.2 -53.7 -12.4 44.3 13 45 A L H X S+ 0 0 30 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.916 114.6 50.2 -53.0 -48.4 -51.3 -11.0 46.9 14 46 A R H X S+ 0 0 45 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.893 113.8 44.8 -58.2 -44.4 -53.3 -7.7 47.2 15 47 A V H X S+ 0 0 59 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.946 112.7 51.8 -65.2 -47.8 -56.5 -9.7 47.6 16 48 A R H X S+ 0 0 117 -4,-3.4 4,-1.4 2,-0.2 -2,-0.2 0.890 116.2 39.6 -55.9 -44.9 -54.9 -12.0 50.1 17 49 A C H <>S+ 0 0 16 -4,-2.8 5,-2.3 -5,-0.2 4,-0.4 0.936 113.1 54.1 -71.7 -46.7 -53.6 -9.1 52.2 18 50 A L H ><5S+ 0 0 76 -4,-2.9 3,-0.5 -5,-0.3 -2,-0.2 0.860 113.2 44.8 -55.6 -35.7 -56.7 -7.0 51.8 19 51 A Q H 3<5S+ 0 0 135 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.793 112.3 50.3 -79.6 -29.6 -58.7 -10.0 53.1 20 52 A S T 3<5S- 0 0 70 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.310 109.6-123.6 -89.5 8.4 -56.3 -10.7 55.9 21 53 A G T < 5S+ 0 0 73 -3,-0.5 2,-0.2 -4,-0.4 -3,-0.2 0.807 74.1 119.1 53.7 30.2 -56.4 -7.0 56.9 22 54 A T < - 0 0 71 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.728 64.4-114.8-121.3 171.2 -52.7 -6.9 56.5 23 55 A L - 0 0 68 -2,-0.2 92,-0.3 -3,-0.1 110,-0.1 -0.874 38.5 -99.6-109.7 141.3 -50.1 -5.1 54.4 24 56 A F - 0 0 15 90,-3.4 2,-0.4 -2,-0.4 110,-0.2 -0.232 29.9-166.8 -59.8 140.0 -47.9 -6.8 51.8 25 57 A R - 0 0 194 108,-0.1 2,-0.8 109,-0.1 91,-0.1 -0.975 20.2-134.8-131.0 113.0 -44.3 -7.5 52.8 26 58 A D > - 0 0 2 -2,-0.4 3,-1.0 3,-0.2 107,-0.1 -0.587 19.5-174.9 -76.7 105.7 -42.2 -8.4 49.8 27 59 A E T 3 S+ 0 0 184 -2,-0.8 -1,-0.2 1,-0.2 0, 0.0 0.798 84.5 59.1 -69.0 -27.9 -40.0 -11.5 50.5 28 60 A A T 3 S+ 0 0 45 1,-0.3 -1,-0.2 -22,-0.0 -2,-0.1 0.566 126.4 14.7 -78.1 -8.8 -38.2 -11.2 47.2 29 61 A F S < S- 0 0 6 -3,-1.0 104,-0.3 137,-0.0 -1,-0.3 -0.365 87.6-171.4-165.0 70.1 -37.0 -7.7 48.1 30 62 A P - 0 0 43 0, 0.0 2,-3.0 0, 0.0 5,-0.2 -0.214 39.9 -98.0 -69.9 156.9 -37.4 -7.0 51.8 31 63 A P S S+ 0 0 47 0, 0.0 22,-0.1 0, 0.0 105,-0.1 -0.335 83.8 121.7 -72.6 62.9 -36.9 -3.7 53.7 32 64 A V S >> S- 0 0 54 -2,-3.0 3,-1.6 1,-0.0 4,-0.9 -0.815 79.9 -98.4-127.1 164.1 -33.4 -4.7 54.7 33 65 A P H >> S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.827 119.4 58.6 -48.2 -41.2 -29.8 -3.4 54.3 34 66 A Q H 34 S+ 0 0 154 1,-0.3 7,-0.0 2,-0.2 8,-0.0 0.781 100.5 56.7 -63.4 -27.4 -29.1 -5.7 51.4 35 67 A S H <4 S+ 0 0 5 -3,-1.6 135,-1.8 -5,-0.2 -1,-0.3 0.760 108.7 48.1 -76.0 -22.4 -32.0 -4.2 49.5 36 68 A L H << S- 0 0 10 -3,-0.9 135,-2.4 -4,-0.9 2,-0.3 0.934 124.2 -67.7 -79.5 -50.9 -30.3 -0.8 49.9 37 69 A G < - 0 0 2 -4,-2.3 -1,-0.3 4,-0.3 131,-0.0 -0.994 21.1-123.0 178.2-176.2 -26.8 -1.9 48.8 38 70 A Y S S+ 0 0 146 -2,-0.3 6,-0.2 4,-0.2 -1,-0.1 0.611 95.0 8.8-123.5 -27.8 -23.6 -3.8 49.3 39 71 A K S > S+ 0 0 136 3,-0.1 3,-1.8 4,-0.1 5,-0.1 0.582 135.1 18.5-120.6 -87.7 -20.8 -1.2 49.3 40 72 A D T 3 S+ 0 0 67 1,-0.3 7,-0.4 5,-0.1 8,-0.1 0.722 145.0 30.7 -63.4 -19.4 -21.5 2.5 49.3 41 73 A L T 3 S+ 0 0 12 6,-0.1 -4,-0.3 5,-0.1 -1,-0.3 0.065 98.6 135.9-122.4 19.3 -24.9 1.7 50.6 42 74 A G S X S- 0 0 3 -3,-1.8 3,-1.8 -6,-0.1 6,-0.2 -0.141 74.2 -93.0 -66.4 164.0 -23.7 -1.5 52.4 43 75 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.800 126.3 38.8 -45.5 -38.8 -24.8 -2.5 55.9 44 76 A N T 3 S+ 0 0 168 -6,-0.2 2,-0.4 -5,-0.1 -2,-0.1 -0.255 89.7 115.3-112.9 46.1 -21.8 -0.8 57.4 45 77 A S X - 0 0 25 -3,-1.8 3,-1.2 1,-0.1 -5,-0.1 -0.910 63.8-136.5-113.0 142.6 -21.6 2.4 55.2 46 78 A S G > S+ 0 0 104 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.701 98.9 73.2 -69.6 -20.1 -22.1 5.9 56.6 47 79 A K G 3 S+ 0 0 127 -7,-0.4 -1,-0.3 1,-0.3 -6,-0.1 0.731 92.6 56.0 -66.8 -20.3 -24.2 6.8 53.6 48 80 A T G X S+ 0 0 25 -3,-1.2 3,-2.2 -6,-0.2 -1,-0.3 0.386 78.1 135.2 -91.8 4.4 -27.0 4.6 55.1 49 81 A Y T < S+ 0 0 175 -3,-1.7 3,-0.1 1,-0.3 -3,-0.1 -0.318 79.5 1.0 -56.1 124.8 -26.9 6.6 58.3 50 82 A G T 3 S+ 0 0 32 1,-0.2 2,-0.5 -2,-0.1 90,-0.4 0.467 91.9 142.2 76.6 0.6 -30.4 7.4 59.4 51 83 A I < + 0 0 23 -3,-2.2 2,-0.3 88,-0.1 -1,-0.2 -0.660 23.2 172.8 -79.8 124.9 -32.1 5.6 56.5 52 84 A K E -C 138 0B 107 86,-3.5 86,-3.6 -2,-0.5 2,-0.5 -0.798 31.9-116.5-123.7 167.2 -35.2 3.8 57.6 53 85 A W E +C 137 0B 40 -2,-0.3 2,-0.3 84,-0.2 82,-0.1 -0.941 41.6 161.6-110.5 122.3 -37.9 1.9 55.6 54 86 A K E -C 136 0B 73 82,-2.3 82,-2.5 -2,-0.5 5,-0.0 -0.997 35.7-124.5-142.2 145.7 -41.4 3.4 55.8 55 87 A R >> - 0 0 8 -2,-0.3 3,-2.5 80,-0.3 4,-0.6 -0.569 30.9-117.5 -83.1 150.8 -44.6 3.1 53.8 56 88 A P H >> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 3,-1.0 0.824 118.1 61.5 -57.0 -30.3 -46.1 6.4 52.4 57 89 A T H 34 S+ 0 0 48 1,-0.3 -2,-0.0 2,-0.2 52,-0.0 0.581 102.1 52.0 -72.7 -8.4 -49.2 5.5 54.6 58 90 A E H <4 S+ 0 0 103 -3,-2.5 -1,-0.3 1,-0.0 3,-0.1 0.486 114.8 41.8-101.5 -7.8 -46.8 5.7 57.6 59 91 A L H << S+ 0 0 53 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.803 119.0 25.9-105.6 -42.9 -45.5 9.1 56.6 60 92 A L < - 0 0 67 -4,-2.6 -1,-0.3 1,-0.1 92,-0.0 -0.873 67.6-126.8-125.4 158.0 -48.6 11.1 55.5 61 93 A S S S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.895 108.3 17.4 -68.5 -39.8 -52.3 11.0 56.2 62 94 A N S S- 0 0 95 -3,-0.1 -1,-0.2 -6,-0.0 -5,-0.1 -0.564 77.4-178.6-134.3 71.3 -53.2 10.8 52.5 63 95 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.356 17.9-143.5 -66.5 152.0 -50.2 9.8 50.4 64 96 A Q B -e 153 0C 58 88,-3.3 90,-2.4 1,-0.2 91,-0.3 -0.937 17.6-152.3-122.4 144.8 -51.0 9.6 46.6 65 97 A F S S+ 0 0 3 -2,-0.4 90,-2.4 1,-0.3 2,-0.4 0.970 91.5 10.5 -72.1 -55.8 -49.8 7.3 43.9 66 98 A I - 0 0 35 41,-0.2 2,-0.4 88,-0.2 -1,-0.3 -0.985 67.2-170.6-129.4 134.9 -50.3 9.9 41.2 67 99 A V S S- 0 0 22 2,-0.5 83,-0.1 -2,-0.4 86,-0.1 -0.992 76.8 -12.7-125.5 129.0 -51.0 13.6 41.6 68 100 A D S S- 0 0 146 -2,-0.4 -1,-0.1 2,-0.1 3,-0.0 0.891 129.6 -53.0 47.5 42.4 -51.9 15.8 38.7 69 101 A G S S- 0 0 34 1,-0.1 2,-1.1 -3,-0.1 -2,-0.5 0.181 70.2 -74.5 79.8 160.2 -50.8 13.0 36.4 70 102 A A S S+ 0 0 6 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.820 73.3 159.2 -92.9 99.7 -47.6 10.9 36.2 71 103 A T > - 0 0 48 -2,-1.1 3,-1.8 1,-0.0 4,-0.1 -0.722 56.4 -98.4-122.6 172.0 -45.3 13.5 34.6 72 104 A R G > S+ 0 0 52 1,-0.3 3,-1.7 -2,-0.2 18,-0.1 0.776 115.6 65.1 -61.4 -28.7 -41.6 14.3 34.2 73 105 A T G 3 S+ 0 0 48 1,-0.3 76,-1.4 17,-0.1 -1,-0.3 0.580 88.9 70.2 -71.7 -6.8 -41.6 16.8 37.1 74 106 A D G < S+ 0 0 7 -3,-1.8 2,-0.7 74,-0.2 -1,-0.3 0.411 83.4 84.2 -86.1 1.8 -42.4 13.9 39.4 75 107 A I < + 0 0 0 -3,-1.7 2,-0.5 73,-0.1 73,-0.2 -0.877 50.6 155.0-110.9 98.6 -38.8 12.6 38.8 76 108 A C B -F 147 0D 11 71,-1.7 71,-1.8 -2,-0.7 190,-0.2 -0.953 41.5-121.9-129.3 111.0 -36.3 14.3 41.1 77 109 A Q - 0 0 19 188,-2.6 2,-0.1 -2,-0.5 69,-0.1 -0.050 27.9-166.1 -52.5 146.3 -33.1 12.4 41.8 78 110 A G - 0 0 23 2,-0.2 2,-2.1 68,-0.0 67,-0.3 -0.175 52.4 -44.7-111.6-152.1 -32.2 11.5 45.3 79 111 A A S S+ 0 0 72 65,-3.0 2,-0.3 -2,-0.1 66,-0.1 -0.317 107.2 90.1 -79.9 57.2 -29.0 10.2 46.9 80 112 A L S S- 0 0 14 -2,-2.1 2,-1.3 65,-0.1 -2,-0.2 -0.988 79.4-122.6-153.6 142.0 -28.3 7.6 44.3 81 113 A G S S+ 0 0 24 -2,-0.3 94,-2.9 1,-0.2 3,-0.3 -0.129 73.0 116.6 -79.7 44.9 -26.3 7.6 41.0 82 114 A D > + 0 0 0 -2,-1.3 4,-2.4 92,-0.2 3,-0.4 -0.115 20.5 130.4-106.1 40.0 -29.3 6.5 38.9 83 115 A C H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.861 71.6 59.4 -56.3 -38.7 -29.7 9.6 36.7 84 116 A W H > S+ 0 0 7 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.895 108.8 42.6 -57.3 -46.5 -29.8 7.3 33.6 85 117 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 88,-0.2 -2,-0.2 0.923 115.5 49.2 -66.1 -47.6 -32.8 5.5 34.9 86 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.883 108.1 52.3 -62.4 -41.8 -34.6 8.7 36.1 87 119 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.883 110.5 51.3 -61.6 -35.5 -34.0 10.4 32.7 88 120 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.907 109.7 47.6 -68.6 -41.1 -35.6 7.4 31.1 89 121 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.933 111.6 50.9 -65.0 -42.7 -38.6 7.5 33.4 90 122 A A H < S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.915 112.9 45.8 -61.3 -40.7 -39.0 11.2 32.7 91 123 A S H >< S+ 0 0 1 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.905 107.7 58.9 -67.3 -39.5 -38.8 10.6 29.0 92 124 A L H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.3 7,-0.3 0.888 92.3 67.2 -54.7 -42.5 -41.3 7.7 29.4 93 125 A T T 3< S+ 0 0 14 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.675 92.3 63.2 -54.8 -18.2 -43.9 10.0 30.9 94 126 A L T < S+ 0 0 69 -3,-1.7 2,-0.9 -4,-0.3 -1,-0.3 0.633 89.7 69.3 -82.4 -17.1 -44.2 11.7 27.4 95 127 A N S <> S- 0 0 17 -3,-2.4 4,-2.7 -4,-0.3 5,-0.2 -0.871 71.2-166.7-102.9 98.7 -45.4 8.5 25.7 96 128 A D H > S+ 0 0 103 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.847 82.2 48.7 -56.8 -41.0 -48.9 8.2 27.2 97 129 A T H > S+ 0 0 111 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.944 116.4 40.9 -67.2 -47.6 -49.5 4.7 26.1 98 130 A L H >> S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.851 111.6 57.3 -69.3 -34.0 -46.2 3.3 27.3 99 131 A L H 3X S+ 0 0 3 -4,-2.7 4,-3.0 -7,-0.3 -1,-0.2 0.928 106.4 49.8 -60.1 -45.5 -46.4 5.3 30.5 100 132 A H H 3< S+ 0 0 78 -4,-1.8 5,-0.4 -5,-0.2 -1,-0.2 0.630 111.4 49.2 -70.6 -14.9 -49.7 3.6 31.3 101 133 A R H << S+ 0 0 86 -4,-0.6 19,-0.4 -3,-0.5 -2,-0.2 0.901 116.3 39.6 -86.0 -52.7 -48.3 0.2 30.6 102 134 A V H < S+ 0 0 0 -4,-2.7 18,-1.6 1,-0.3 -2,-0.2 0.912 123.9 42.4 -61.3 -43.1 -45.2 0.6 32.8 103 135 A V S < S- 0 0 0 -4,-3.0 2,-0.5 -5,-0.3 -1,-0.3 -0.835 83.8-147.0-109.3 95.8 -47.1 2.5 35.5 104 136 A P > - 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0 0 5 5,-0.7 -74,-0.2 2,-0.4 -73,-0.1 -0.557 30.3-116.6 -87.7 158.9 -41.7 13.8 43.0 149 181 A A S S+ 0 0 73 -76,-1.4 2,-0.7 -2,-0.2 -75,-0.1 0.809 110.9 73.5 -61.7 -25.4 -41.6 17.6 43.1 150 182 A E S > S- 0 0 89 1,-0.1 3,-1.9 -77,-0.1 -2,-0.4 -0.808 81.2-151.2 -91.2 112.9 -44.9 16.9 44.9 151 183 A G T 3 S+ 0 0 59 -2,-0.7 -1,-0.1 1,-0.3 -8,-0.1 0.633 92.0 53.1 -60.1 -16.1 -44.1 15.5 48.4 152 184 A N T 3 S+ 0 0 46 -89,-0.1 -88,-3.3 -90,-0.0 2,-0.5 0.274 88.5 94.5-103.1 10.5 -47.3 13.5 48.6 153 185 A E B < +e 64 0C 2 -3,-1.9 -5,-0.7 -90,-0.2 -88,-0.2 -0.891 40.5 168.5-106.9 131.2 -46.8 11.6 45.3 154 186 A F > + 0 0 4 -90,-2.4 4,-2.5 -2,-0.5 5,-0.2 0.454 44.7 100.8-122.0 -1.6 -45.1 8.2 45.3 155 187 A W H > S+ 0 0 0 -90,-2.4 4,-2.0 -91,-0.3 5,-0.1 0.899 90.0 45.2 -54.2 -44.3 -45.5 6.5 41.9 156 188 A S H > S+ 0 0 0 -91,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 111.3 52.1 -68.7 -38.3 -42.0 7.4 40.8 157 189 A A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 112.8 47.2 -62.7 -40.0 -40.4 6.3 44.1 158 190 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.859 110.4 50.8 -70.8 -34.4 -42.2 3.0 43.7 159 191 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 110.2 49.8 -68.1 -43.0 -41.2 2.5 40.1 160 192 A E H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 110.1 51.7 -62.2 -39.7 -37.6 3.2 41.1 161 193 A K H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.922 108.7 50.1 -62.7 -42.1 -37.9 0.7 43.8 162 194 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 112.1 47.9 -62.9 -37.5 -39.3 -1.9 41.4 163 195 A Y H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.884 110.9 50.9 -70.3 -37.1 -36.3 -1.2 39.1 164 196 A A H ><>S+ 0 0 0 -4,-2.7 3,-1.2 -5,-0.2 5,-1.0 0.945 107.0 56.7 -62.9 -45.6 -34.0 -1.5 42.1 165 197 A K H ><5S+ 0 0 7 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.933 104.6 48.4 -51.3 -54.1 -35.7 -4.8 42.9 166 198 A V H 3<5S+ 0 0 23 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.688 114.3 49.7 -63.7 -12.7 -35.0 -6.4 39.4 167 199 A N T <<5S- 0 0 58 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.362 116.1-115.8-103.4 1.0 -31.4 -5.2 39.9 168 200 A G T < 5S+ 0 0 43 -3,-2.1 2,-0.3 -4,-0.4 -3,-0.2 0.124 82.1 8.5 87.7 -21.8 -31.1 -6.7 43.4 169 201 A S S S+ 0 0 1 -135,-1.8 3,-3.0 -2,-0.3 4,-0.3 0.943 118.2 58.1 -67.0 -46.0 -30.7 0.4 45.0 171 203 A E G > S+ 0 0 9 -135,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.842 94.8 66.0 -52.3 -34.6 -26.9 0.6 44.9 172 204 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -136,-0.1 -2,-0.2 0.636 94.0 61.1 -62.5 -13.3 -27.0 -1.6 41.8 173 205 A L G < S+ 0 0 0 -3,-3.0 2,-0.7 -4,-0.2 -1,-0.3 0.551 76.7 109.9 -89.0 -9.2 -28.7 1.3 40.2 174 206 A S S < S+ 0 0 64 -3,-2.3 -92,-0.2 -4,-0.3 -3,-0.0 -0.564 82.1 8.1 -73.1 110.6 -25.7 3.5 40.7 175 207 A G S S+ 0 0 52 -94,-2.9 2,-0.3 -2,-0.7 -93,-0.1 0.540 83.7 129.5 90.2 123.5 -24.2 4.1 37.3 176 208 A G - 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0 0 79 -2,-0.5 2,-1.6 2,-0.1 -18,-0.1 -0.977 24.5-144.0-123.7 116.9 -42.0 28.2 31.8 296 328 A K + 0 0 124 -2,-0.5 2,-0.3 2,-0.1 6,-0.1 -0.624 56.6 121.5 -81.5 90.2 -40.1 30.2 34.3 297 329 A M - 0 0 110 -2,-1.6 2,-1.7 4,-0.2 4,-0.2 -0.977 68.2-127.7-154.9 135.8 -39.5 27.5 36.9 298 330 A E + 0 0 109 -2,-0.3 4,-0.1 1,-0.2 -2,-0.1 -0.689 66.9 125.6 -82.4 87.5 -36.5 25.8 38.5 299 331 A D S S- 0 0 24 -2,-1.7 -31,-0.3 2,-0.3 -1,-0.2 0.182 84.8-103.8-130.1 9.8 -37.7 22.3 37.5 300 332 A G S S+ 0 0 0 -33,-0.3 -36,-3.1 1,-0.2 2,-0.4 0.324 88.9 112.9 82.3 -8.3 -34.6 21.1 35.7 301 333 A E E +L 263 0E 18 -38,-0.3 -2,-0.3 -4,-0.2 2,-0.3 -0.809 35.9 146.4-103.5 140.4 -36.2 21.6 32.4 302 334 A F E -L 262 0E 1 -40,-2.4 -40,-2.5 -2,-0.4 2,-0.3 -0.976 39.0-110.5-160.6 167.8 -35.1 24.2 29.9 303 335 A W E -L 261 0E 9 -28,-0.7 2,-0.3 -2,-0.3 -42,-0.2 -0.769 24.7-178.9-107.6 153.4 -34.7 25.1 26.2 304 336 A M E -L 260 0E 0 -44,-2.3 -44,-3.0 -2,-0.3 -29,-0.1 -0.956 36.4-104.6-141.9 153.8 -31.5 25.5 24.2 305 337 A S E > -L 259 0E 15 -31,-0.4 4,-2.5 -2,-0.3 -46,-0.3 -0.510 36.3-116.0 -74.5 154.2 -31.1 26.4 20.5 306 338 A F H > S+ 0 0 39 -48,-3.0 4,-2.6 1,-0.2 5,-0.2 0.864 116.5 57.9 -60.6 -34.2 -30.2 23.3 18.5 307 339 A R H > S+ 0 0 197 -49,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.935 108.8 42.7 -61.3 -48.2 -26.9 24.9 17.8 308 340 A D H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.897 112.3 54.8 -65.9 -38.1 -26.0 25.3 21.4 309 341 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 110.0 46.4 -59.8 -42.5 -27.3 21.8 22.1 310 342 A M H < S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.743 114.6 48.5 -71.3 -22.5 -24.9 20.5 19.4 311 343 A R H < S+ 0 0 167 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.811 120.7 33.4 -86.7 -31.2 -22.1 22.6 20.8 312 344 A E H < S+ 0 0 39 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.770 108.4 64.1 -97.4 -32.8 -22.5 21.5 24.5 313 345 A F < - 0 0 3 -4,-2.6 -93,-0.2 -5,-0.3 3,-0.1 -0.655 54.6-165.0 -95.4 153.6 -23.7 17.9 24.4 314 346 A T + 0 0 13 -95,-2.1 -119,-1.8 1,-0.3 -118,-0.5 0.687 67.5 30.5-108.6 -24.5 -21.8 15.0 23.1 315 347 A R E -GH 194 219E 60 -96,-2.0 -96,-1.9 -121,-0.2 2,-0.4 -0.991 51.3-166.9-143.4 150.7 -24.3 12.3 22.7 316 348 A L E -GH 193 218E 0 -123,-1.9 -123,-3.1 -2,-0.4 2,-0.4 -0.987 9.3-160.5-129.9 139.5 -28.0 11.7 21.9 317 349 A E E -GH 192 217E 8 -100,-2.9 -100,-2.3 -2,-0.4 2,-0.5 -0.980 4.3-171.7-124.6 132.1 -29.9 8.5 22.4 318 350 A I E -GH 191 216E 0 -127,-2.6 -127,-2.9 -2,-0.4 2,-0.8 -0.984 5.3-164.3-125.3 118.7 -33.2 7.8 20.6 319 351 A C E -GH 190 215E 0 -104,-3.1 -104,-2.3 -2,-0.5 2,-0.3 -0.902 14.0-163.1-104.0 107.1 -35.1 4.7 21.7 320 352 A N E G 189 0E 21 -131,-1.9 -131,-1.9 -2,-0.8 -106,-0.1 -0.672 360.0 360.0 -92.7 147.0 -37.7 3.9 19.0 321 353 A L 0 0 123 -2,-0.3 -1,-0.1 -133,-0.2 -131,-0.0 0.690 360.0 360.0 -85.3 360.0 -40.6 1.6 19.6