==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-OCT-06 2NQI . COMPND 2 MOLECULE: CALPAIN-1 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR D.CUERRIER,P.L.DAVIES,R.L.CAMPBELL,T.MOLDOVEANU . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 17.3 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 . 2 0.6 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 . 43 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 19.5 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 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 . 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 0 213 0, 0.0 126,-0.1 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 131.7 18.7 2.4 10.5 2 34 A A - 0 0 22 126,-0.1 126,-0.2 1,-0.1 2,-0.2 -0.284 360.0-119.2 -63.3 140.9 17.8 4.5 7.3 3 35 A I E -a 128 0A 85 124,-2.1 126,-2.8 1,-0.1 2,-0.5 -0.568 33.1-101.8 -83.7 147.9 18.3 8.2 7.8 4 36 A K E > -a 129 0A 96 -2,-0.2 3,-2.4 124,-0.2 2,-0.2 -0.555 27.8-124.1 -79.6 117.8 15.3 10.5 7.3 5 37 A Y G > S- 0 0 43 124,-3.0 3,-2.0 -2,-0.5 126,-0.2 -0.414 97.7 -9.3 -57.1 121.1 14.9 12.3 4.0 6 38 A L G 3 S- 0 0 112 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.678 121.6 -73.2 64.5 16.8 14.6 16.0 5.0 7 39 A G G < S+ 0 0 59 -3,-2.4 2,-0.5 1,-0.3 -1,-0.3 0.603 88.8 153.8 71.6 9.2 14.3 14.9 8.7 8 40 A Q < - 0 0 27 -3,-2.0 2,-0.7 121,-0.2 -1,-0.3 -0.663 33.8-151.2 -77.3 128.1 10.8 13.7 8.0 9 41 A D > - 0 0 58 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 -0.858 8.5-162.3-111.2 99.3 10.0 11.0 10.5 10 42 A Y H > S+ 0 0 39 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.891 89.0 39.8 -45.9 -58.2 7.5 8.3 9.2 11 43 A E H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.904 117.9 48.1 -68.3 -40.0 6.5 6.9 12.6 12 44 A N H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.951 114.5 45.6 -63.3 -48.5 6.3 10.2 14.4 13 45 A L H X S+ 0 0 30 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.920 115.4 49.1 -57.8 -44.6 4.3 11.8 11.6 14 46 A R H X S+ 0 0 68 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.940 113.0 44.4 -62.9 -50.6 2.0 8.8 11.5 15 47 A A H X S+ 0 0 49 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.944 114.6 49.9 -64.9 -39.9 1.4 8.6 15.3 16 48 A R H X S+ 0 0 126 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.898 110.4 49.7 -63.9 -41.5 0.8 12.4 15.5 17 49 A C H X>S+ 0 0 15 -4,-2.4 5,-2.3 2,-0.2 4,-0.7 0.920 111.8 48.7 -61.2 -44.7 -1.7 12.3 12.6 18 50 A L H ><5S+ 0 0 76 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.914 113.1 47.0 -62.3 -45.3 -3.6 9.5 14.2 19 51 A Q H 3<5S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.1 48.1 -58.1 -43.3 -3.6 11.3 17.6 20 52 A N H 3<5S- 0 0 97 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.502 110.7-123.2 -82.2 -4.6 -4.8 14.6 15.8 21 53 A G T <<5S+ 0 0 68 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.794 72.5 112.7 69.5 26.9 -7.5 12.7 13.9 22 54 A V < - 0 0 82 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.817 66.9-117.3-124.6 165.9 -6.2 13.8 10.5 23 55 A L - 0 0 64 -2,-0.3 92,-0.3 -3,-0.1 110,-0.1 -0.849 44.5 -97.7-100.5 145.6 -4.6 12.2 7.4 24 56 A F - 0 0 15 90,-2.9 2,-0.4 -2,-0.4 110,-0.3 -0.256 32.1-168.1 -63.0 139.1 -1.0 13.3 6.5 25 57 A Q - 0 0 121 108,-0.1 2,-0.8 109,-0.1 91,-0.1 -0.990 25.4-126.9-125.9 127.2 -0.5 15.9 3.8 26 58 A D > - 0 0 0 -2,-0.4 3,-1.0 3,-0.3 107,-0.1 -0.569 20.7-172.0 -84.2 103.6 3.1 16.2 2.8 27 59 A D T 3 S+ 0 0 153 -2,-0.8 -1,-0.2 1,-0.2 0, 0.0 0.799 89.2 56.0 -58.8 -28.0 4.5 19.7 3.0 28 60 A A T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.642 127.2 15.0 -80.2 -21.4 7.7 18.5 1.2 29 61 A F S < S- 0 0 6 -3,-1.0 -3,-0.3 140,-0.0 104,-0.3 -0.526 90.6-169.0-151.7 70.0 5.8 17.1 -1.8 30 62 A P - 0 0 45 0, 0.0 2,-2.2 0, 0.0 5,-0.2 -0.127 35.4-100.0 -72.4 163.6 2.3 18.6 -1.7 31 63 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.432 86.1 102.8 -82.3 69.1 -0.7 17.6 -3.7 32 64 A V S >> S- 0 0 67 -2,-2.2 3,-2.1 20,-0.1 4,-0.7 -0.873 88.4 -87.7-144.7 169.4 -0.4 20.4 -6.2 33 65 A S H >> S+ 0 0 33 1,-0.3 4,-2.2 -2,-0.3 3,-0.8 0.770 117.3 66.6 -55.3 -34.5 0.8 21.0 -9.8 34 66 A H H 34 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.746 98.6 53.2 -60.8 -23.4 4.4 21.6 -8.8 35 67 A S H <4 S+ 0 0 4 -3,-2.1 135,-2.2 -5,-0.2 -1,-0.3 0.746 108.6 52.0 -82.9 -19.2 4.7 18.0 -7.6 36 68 A L H << S- 0 0 2 -3,-0.8 135,-2.4 -4,-0.7 2,-0.3 0.952 121.9 -84.2 -75.6 -53.9 3.4 16.9 -11.1 37 69 A G < - 0 0 2 -4,-2.2 -1,-0.3 4,-0.5 133,-0.0 -0.977 22.6-104.9 174.5-153.4 5.9 18.9 -13.1 38 70 A F S S+ 0 0 135 -2,-0.3 6,-0.2 4,-0.2 -1,-0.1 0.558 97.4 10.8-139.8 -25.3 6.9 22.2 -14.6 39 71 A K S > S+ 0 0 160 3,-0.1 3,-1.5 4,-0.1 5,-0.1 0.511 135.9 21.8-126.9 -87.8 6.4 22.1 -18.5 40 72 A E T 3 S+ 0 0 98 1,-0.3 8,-0.4 5,-0.1 7,-0.4 0.839 144.6 29.5 -52.5 -37.3 4.5 19.1 -19.9 41 73 A L T 3 S+ 0 0 7 6,-0.1 -4,-0.5 5,-0.1 -1,-0.3 -0.024 100.0 133.0-114.8 29.9 3.0 18.7 -16.4 42 74 A G S X S- 0 0 2 -3,-1.5 3,-1.5 -6,-0.1 6,-0.3 -0.135 74.7 -95.1 -76.2 174.8 3.2 22.4 -15.5 43 75 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.720 123.7 45.0 -68.2 -17.7 0.4 24.5 -14.0 44 76 A N T 3 S+ 0 0 135 -6,-0.2 2,-0.3 -5,-0.1 -2,-0.1 0.030 92.2 111.4-113.4 28.8 -0.7 25.7 -17.4 45 77 A S S <> S- 0 0 16 -3,-1.5 4,-2.4 1,-0.1 -5,-0.1 -0.754 70.6-127.2-109.3 148.6 -0.7 22.4 -19.3 46 78 A S H > S+ 0 0 106 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.908 110.9 53.8 -47.3 -52.2 -3.5 20.2 -20.8 47 79 A K H >4 S+ 0 0 120 -7,-0.4 3,-0.7 1,-0.2 4,-0.3 0.945 110.6 45.3 -53.4 -51.7 -2.1 17.2 -18.9 48 80 A T H >4 S+ 0 0 14 -8,-0.4 3,-2.9 -6,-0.3 -2,-0.2 0.951 101.3 68.1 -59.4 -56.4 -2.2 18.9 -15.5 49 81 A Y H 3< S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.717 100.6 47.4 -30.2 -44.1 -5.7 20.4 -16.0 50 82 A G T << S+ 0 0 29 -4,-1.1 2,-0.4 -3,-0.7 90,-0.3 0.592 91.9 105.5 -79.1 -6.1 -7.5 16.9 -15.9 51 83 A I < + 0 0 22 -3,-2.9 2,-0.4 -4,-0.3 88,-0.2 -0.600 42.5 179.9 -94.6 126.5 -5.7 15.7 -12.8 52 84 A K E -C 138 0B 138 86,-2.6 86,-2.0 -2,-0.4 2,-0.5 -0.982 26.6-129.6-114.8 138.0 -7.2 15.5 -9.3 53 85 A W E +C 137 0B 42 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.740 38.6 165.2 -87.9 120.6 -5.2 14.3 -6.3 54 86 A K E -C 136 0B 65 82,-2.0 82,-2.1 -2,-0.5 -2,-0.0 -0.992 34.1-123.6-137.6 142.6 -7.1 11.5 -4.4 55 87 A R >> - 0 0 15 -2,-0.3 3,-2.4 80,-0.2 4,-1.5 -0.537 28.3-117.6 -79.0 148.2 -6.2 9.0 -1.8 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.760 118.1 62.1 -55.3 -22.5 -6.8 5.2 -2.5 57 89 A T H 34 S+ 0 0 50 1,-0.2 52,-0.0 2,-0.2 -2,-0.0 0.568 105.0 44.5 -82.1 -10.8 -9.2 5.5 0.5 58 90 A E H <4 S+ 0 0 117 -3,-2.4 -1,-0.2 1,-0.0 3,-0.1 0.677 115.7 48.9 -98.0 -24.1 -11.3 8.0 -1.4 59 91 A L H < S+ 0 0 42 -4,-1.5 2,-0.3 1,-0.1 -2,-0.2 0.872 118.5 22.3 -82.0 -42.2 -11.2 5.9 -4.6 60 92 A L < - 0 0 66 -4,-2.2 -1,-0.1 -5,-0.2 92,-0.0 -0.876 61.3-132.9-131.3 155.3 -12.1 2.5 -3.3 61 93 A S S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.833 108.5 27.5 -70.5 -35.5 -13.9 0.9 -0.3 62 94 A N S S+ 0 0 98 -6,-0.1 -1,-0.2 -3,-0.0 -5,-0.1 -0.459 76.1 176.1-129.6 62.1 -11.1 -1.6 0.2 63 95 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.347 14.0-158.0 -66.1 147.3 -7.7 -0.2 -1.0 64 96 A Q B -e 153 0C 50 88,-2.6 90,-2.1 1,-0.2 91,-0.2 -0.975 22.0-151.2-129.4 141.1 -4.7 -2.5 -0.3 65 97 A F S S+ 0 0 6 -2,-0.4 90,-2.1 1,-0.3 2,-0.4 0.965 91.3 11.1 -70.0 -53.3 -1.1 -1.7 -0.1 66 98 A I - 0 0 50 41,-0.2 2,-0.4 88,-0.2 -1,-0.3 -0.979 65.9-173.6-131.0 134.9 -0.1 -5.1 -1.3 67 99 A V S S- 0 0 30 2,-0.6 83,-0.1 -2,-0.4 86,-0.0 -0.993 75.3 -14.0-128.7 127.9 -2.2 -7.8 -2.8 68 100 A D S S- 0 0 139 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.866 128.3 -47.5 51.1 40.4 -0.9 -11.4 -3.6 69 101 A G - 0 0 31 1,-0.1 2,-1.0 2,-0.0 -2,-0.6 0.122 69.3 -79.4 90.2 155.2 2.7 -10.1 -3.1 70 102 A A S S+ 0 0 2 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.839 74.9 159.6 -87.6 98.6 4.6 -7.1 -4.4 71 103 A T > - 0 0 49 -2,-1.0 3,-1.8 1,-0.0 4,-0.1 -0.736 56.6 -98.3-130.5 169.0 5.3 -8.6 -7.9 72 104 A R G > S+ 0 0 52 1,-0.3 3,-1.7 -2,-0.2 18,-0.1 0.783 115.0 65.0 -62.8 -26.5 6.2 -7.4 -11.4 73 105 A T G 3 S+ 0 0 51 1,-0.3 76,-1.3 17,-0.1 -1,-0.3 0.658 89.5 70.5 -69.0 -14.5 2.6 -7.5 -12.7 74 106 A D G < S+ 0 0 0 -3,-1.8 2,-0.8 74,-0.2 -1,-0.3 0.501 82.8 83.3 -75.5 -4.4 1.9 -4.7 -10.2 75 107 A I < + 0 0 0 -3,-1.7 2,-0.5 -4,-0.1 73,-0.2 -0.826 49.6 154.0-110.8 91.3 4.0 -2.4 -12.5 76 108 A C B -F 147 0D 12 71,-2.1 71,-1.7 -2,-0.8 190,-0.2 -0.937 40.3-129.8-122.0 106.6 1.9 -1.0 -15.3 77 109 A Q - 0 0 16 188,-2.4 69,-0.1 -2,-0.5 2,-0.1 -0.099 23.5-165.0 -59.6 144.8 3.2 2.3 -16.6 78 110 A G - 0 0 23 2,-0.1 2,-1.7 0, 0.0 67,-0.3 -0.074 52.4 -43.2-105.8-146.3 0.7 5.1 -17.0 79 111 A A S S+ 0 0 70 65,-2.8 2,-0.3 -2,-0.1 66,-0.1 -0.433 104.5 92.2 -88.9 61.3 1.0 8.4 -18.9 80 112 A L S S- 0 0 14 -2,-1.7 2,-1.4 93,-0.1 3,-0.1 -0.973 78.7-121.1-154.5 140.0 4.6 9.3 -17.9 81 113 A G S S+ 0 0 14 -2,-0.3 94,-2.8 1,-0.2 3,-0.4 -0.095 75.0 116.5 -78.1 42.4 7.9 8.6 -19.6 82 114 A D >> + 0 0 0 -2,-1.4 4,-2.3 92,-0.2 3,-0.8 0.012 22.1 129.4-104.1 32.1 9.3 6.8 -16.6 83 115 A C H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.824 72.2 57.7 -48.5 -43.1 9.7 3.3 -18.3 84 116 A W H 3> S+ 0 0 6 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.869 109.7 43.5 -59.9 -40.5 13.3 3.2 -17.0 85 117 A L H <> S+ 0 0 0 -3,-0.8 4,-2.2 88,-0.2 -2,-0.2 0.917 115.1 48.1 -71.2 -46.4 12.2 3.5 -13.4 86 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.877 107.5 55.6 -64.2 -38.6 9.3 1.1 -13.8 87 119 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.877 109.6 48.3 -57.9 -40.1 11.6 -1.5 -15.5 88 120 A A H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.892 110.4 50.0 -69.5 -42.9 13.8 -1.3 -12.4 89 121 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.940 110.9 49.0 -61.6 -47.1 10.9 -1.7 -9.9 90 122 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 2,-0.2 3,-0.3 0.930 112.9 47.7 -55.4 -46.5 9.6 -4.7 -11.8 91 123 A S H >< S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 4,-0.3 0.948 106.8 60.0 -56.7 -47.5 13.2 -6.2 -11.7 92 124 A L H >< S+ 0 0 2 -4,-2.9 3,-2.0 1,-0.3 7,-0.4 0.840 93.0 64.0 -43.5 -46.6 13.4 -5.3 -8.0 93 125 A T T 3< S+ 0 0 15 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.640 91.0 66.3 -59.8 -19.9 10.4 -7.5 -7.2 94 126 A L T < S+ 0 0 70 -3,-2.0 2,-0.7 -4,-0.4 -1,-0.3 0.592 95.5 61.0 -77.4 -11.9 12.4 -10.7 -8.3 95 127 A N S <> S- 0 0 29 -3,-2.0 4,-3.0 -4,-0.3 3,-0.3 -0.833 70.9-170.0-117.2 93.6 14.7 -10.2 -5.4 96 128 A E H > S+ 0 0 119 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.793 81.6 53.3 -51.5 -36.5 12.6 -10.4 -2.2 97 129 A T H > S+ 0 0 113 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.918 115.6 37.0 -69.0 -47.6 15.3 -9.2 0.2 98 130 A I H >> S+ 0 0 7 -3,-0.3 4,-1.9 1,-0.2 3,-0.8 0.886 112.5 61.9 -78.0 -30.1 16.1 -6.0 -1.6 99 131 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.3 -7,-0.4 -2,-0.2 0.938 106.4 43.7 -53.2 -48.9 12.4 -5.6 -2.5 100 132 A H H 3< S+ 0 0 28 -4,-1.9 5,-0.3 1,-0.2 -1,-0.2 0.495 106.6 60.0 -90.1 2.9 11.4 -5.3 1.1 101 133 A R H << S+ 0 0 91 -3,-0.8 -1,-0.2 -4,-0.5 19,-0.2 0.849 113.9 37.6 -79.1 -45.2 14.3 -3.0 2.0 102 134 A V H < S+ 0 0 0 -4,-1.9 18,-1.9 1,-0.3 -2,-0.2 0.871 125.3 42.6 -72.4 -36.0 12.9 -0.5 -0.5 103 135 A V S < S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 16,-0.1 -0.829 91.6-143.6-114.1 85.3 9.3 -1.3 0.4 104 136 A P - 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0 0 5 5,-0.7 -74,-0.2 2,-0.4 5,-0.1 -0.575 23.9-122.1 -91.3 156.7 -1.1 -2.5 -10.7 149 181 A A S S+ 0 0 75 -76,-1.3 2,-1.0 -2,-0.2 -75,-0.1 0.789 111.0 74.2 -62.3 -27.7 -3.0 -5.1 -12.8 150 182 A Q S > S- 0 0 45 1,-0.1 3,-2.2 -77,-0.1 -2,-0.4 -0.766 84.0-155.1 -87.2 100.6 -4.7 -5.5 -9.4 151 183 A G T 3 S+ 0 0 64 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.603 88.3 52.8 -61.1 -14.3 -6.8 -2.3 -9.5 152 184 A N T 3 S+ 0 0 52 -89,-0.1 -88,-2.6 -90,-0.0 2,-0.5 0.127 87.8 103.6-102.7 15.9 -7.1 -2.1 -5.7 153 185 A E B < +e 64 0C 2 -3,-2.2 -5,-0.7 -90,-0.2 -88,-0.2 -0.910 38.4 169.9-106.5 133.3 -3.3 -2.3 -5.2 154 186 A F > + 0 0 5 -90,-2.1 4,-2.3 -2,-0.5 5,-0.2 0.459 46.1 96.2-122.7 -3.4 -1.3 0.8 -4.3 155 187 A W H > S+ 0 0 0 -90,-2.1 4,-2.7 -91,-0.2 5,-0.2 0.899 91.8 45.8 -61.4 -40.4 2.4 0.0 -3.2 156 188 A S H > S+ 0 0 0 -91,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 112.2 51.3 -73.7 -33.0 3.9 0.6 -6.7 157 189 A A H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.895 113.1 45.2 -64.3 -43.4 1.9 3.8 -7.2 158 190 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.905 112.7 51.2 -70.2 -38.6 3.1 5.1 -3.8 159 191 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 109.5 50.3 -66.0 -41.3 6.8 4.0 -4.5 160 192 A E H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 109.7 51.3 -62.3 -37.6 6.7 5.8 -7.8 161 193 A K H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.910 109.0 50.4 -66.4 -36.7 5.4 8.9 -6.0 162 194 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.868 110.7 49.6 -70.7 -33.9 8.3 8.7 -3.5 163 195 A Y H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.938 109.5 50.5 -70.6 -47.4 10.7 8.4 -6.3 164 196 A A H <>S+ 0 0 0 -4,-2.7 5,-0.8 1,-0.2 3,-0.4 0.919 107.9 57.1 -43.6 -50.2 9.1 11.5 -8.0 165 197 A K H ><5S+ 0 0 7 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.896 105.5 46.8 -53.9 -48.4 9.5 13.3 -4.6 166 198 A V H 3<5S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 114.7 48.8 -69.9 -23.1 13.2 12.8 -4.4 167 199 A N T 3<5S- 0 0 53 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.303 119.8-106.7 -95.4 7.0 13.6 13.9 -8.0 168 200 A G T < 5S- 0 0 49 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 -0.048 82.5 -6.0 96.8 -34.7 11.5 17.0 -7.6 169 201 A S S S+ 0 0 1 -135,-2.2 3,-1.9 -2,-0.3 4,-0.2 0.905 122.1 57.4 -60.2 -42.4 6.8 13.3 -11.6 171 203 A E G > S+ 0 0 15 -135,-2.4 3,-2.5 1,-0.3 -1,-0.2 0.874 93.1 67.8 -59.8 -36.3 7.9 15.2 -14.8 172 204 A A G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -136,-0.1 -2,-0.2 0.681 98.1 55.5 -52.4 -19.3 11.5 14.9 -13.6 173 205 A L G < S+ 0 0 0 -3,-1.9 2,-1.2 -4,-0.3 -1,-0.3 0.493 74.2 112.4 -92.9 -10.2 11.1 11.2 -14.2 174 206 A S S < S+ 0 0 47 -3,-2.5 -92,-0.2 -4,-0.2 -3,-0.0 -0.563 86.9 3.9 -73.1 96.4 10.1 11.5 -17.8 175 207 A G S S+ 0 0 32 -94,-2.8 2,-0.3 -2,-1.2 -93,-0.1 0.504 83.3 131.9 93.3 120.5 13.1 9.9 -19.6 176 208 A G - 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