==== 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 2NQG . 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) . 15437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 62.8 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 . 54 16.7 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 . 24 7.4 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 . 62 19.2 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 3 0 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 . 2 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 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 0 208 0, 0.0 126,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.9 19.0 2.2 10.2 2 34 A A - 0 0 21 126,-0.1 126,-0.2 1,-0.1 2,-0.2 -0.263 360.0-126.5 -63.6 139.0 17.9 4.7 7.4 3 35 A I E -a 128 0A 88 124,-2.1 126,-2.9 1,-0.1 2,-0.5 -0.567 33.1-101.5 -85.6 153.2 18.3 8.4 8.0 4 36 A K E > -a 129 0A 110 124,-0.2 3,-2.2 -2,-0.2 2,-0.2 -0.657 29.2-124.5 -82.9 120.0 15.2 10.6 7.5 5 37 A Y G > S- 0 0 37 124,-2.8 3,-1.8 -2,-0.5 126,-0.2 -0.455 96.6 -5.8 -64.0 124.2 15.0 12.5 4.2 6 38 A L G 3 S- 0 0 111 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.613 123.3 -74.7 68.9 12.2 14.6 16.3 5.0 7 39 A G G < S+ 0 0 55 -3,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.477 88.0 153.3 73.7 5.3 14.3 15.2 8.7 8 40 A Q < - 0 0 33 -3,-1.8 2,-0.7 121,-0.1 -1,-0.3 -0.533 33.6-151.3 -69.8 128.7 10.8 13.9 8.1 9 41 A D > - 0 0 54 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 -0.871 6.4-160.5-110.9 102.9 10.0 11.2 10.7 10 42 A Y H > S+ 0 0 37 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.890 89.5 41.2 -46.7 -61.3 7.5 8.5 9.4 11 43 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 117.6 46.5 -61.0 -41.6 6.5 7.1 12.9 12 44 A N H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 115.4 47.0 -66.8 -47.7 6.3 10.4 14.7 13 45 A L H X S+ 0 0 47 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.926 113.8 47.4 -56.8 -48.7 4.3 12.0 11.8 14 46 A R H X S+ 0 0 52 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.886 114.1 47.8 -59.9 -45.7 1.9 9.0 11.6 15 47 A A H X S+ 0 0 40 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.900 112.1 48.3 -65.3 -41.2 1.3 9.0 15.4 16 48 A R H X S+ 0 0 129 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 110.9 50.1 -70.3 -40.6 0.7 12.7 15.6 17 49 A C H <>S+ 0 0 16 -4,-2.4 5,-2.2 -5,-0.2 4,-0.4 0.913 112.9 48.6 -58.7 -44.9 -1.8 12.7 12.6 18 50 A L H ><5S+ 0 0 78 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.960 112.4 47.2 -60.6 -50.4 -3.6 9.8 14.4 19 51 A Q H 3<5S+ 0 0 151 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.0 46.5 -51.6 -47.4 -3.6 11.7 17.7 20 52 A N T 3<5S- 0 0 90 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.277 112.1-116.8 -87.0 6.1 -4.9 15.0 16.0 21 53 A G T < 5S+ 0 0 72 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.714 74.9 110.8 70.9 28.5 -7.6 13.2 14.0 22 54 A V < - 0 0 80 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.796 65.2-118.2-127.6 167.0 -6.2 14.1 10.6 23 55 A L - 0 0 65 -2,-0.3 92,-0.3 -3,-0.1 110,-0.1 -0.880 46.1 -94.8-104.9 146.6 -4.6 12.4 7.5 24 56 A F - 0 0 17 90,-2.5 2,-0.4 -2,-0.4 110,-0.3 -0.202 32.4-169.6 -63.1 137.0 -1.0 13.5 6.6 25 57 A Q - 0 0 127 108,-0.1 2,-0.8 109,-0.1 91,-0.1 -0.986 24.6-131.6-124.7 123.7 -0.5 16.2 3.9 26 58 A D > - 0 0 0 -2,-0.4 3,-1.5 3,-0.3 107,-0.1 -0.617 17.9-169.6 -88.4 103.0 3.1 16.4 2.9 27 59 A D T 3 S+ 0 0 154 -2,-0.8 -1,-0.2 1,-0.2 0, 0.0 0.761 88.2 58.1 -56.2 -29.9 4.5 20.0 2.9 28 60 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -22,-0.0 -2,-0.0 0.593 126.4 13.0 -75.9 -16.8 7.6 18.7 1.1 29 61 A F S < S- 0 0 6 -3,-1.5 -3,-0.3 140,-0.0 104,-0.3 -0.518 91.5-170.6-160.8 69.9 5.8 17.2 -1.9 30 62 A P - 0 0 41 0, 0.0 2,-2.2 0, 0.0 5,-0.3 -0.175 35.8 -96.7 -81.5 167.2 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 -0.448 86.6 101.8 -83.5 67.5 -0.8 17.7 -3.8 32 64 A V S >> S- 0 0 69 -2,-2.2 3,-1.6 20,-0.1 4,-0.6 -0.883 88.3 -88.6-143.0 171.7 -0.5 20.5 -6.3 33 65 A S H >> S+ 0 0 33 1,-0.3 4,-1.9 -2,-0.3 3,-1.0 0.772 116.4 65.5 -59.4 -32.0 0.7 21.0 -9.9 34 66 A H H 34 S+ 0 0 137 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.731 98.4 55.2 -68.8 -23.0 4.3 21.6 -9.0 35 67 A S H <4 S+ 0 0 4 -3,-1.6 135,-1.8 -5,-0.3 -1,-0.3 0.679 108.0 50.9 -75.4 -23.9 4.6 18.0 -7.7 36 68 A L H << S- 0 0 4 -3,-1.0 135,-2.4 -4,-0.6 2,-0.3 0.898 123.1 -80.4 -72.9 -45.1 3.4 16.8 -11.2 37 69 A G < - 0 0 2 -4,-1.9 -1,-0.3 4,-0.2 133,-0.0 -0.986 22.3-104.7 161.3-170.5 5.9 18.9 -13.2 38 70 A F S S+ 0 0 142 -2,-0.3 6,-0.1 4,-0.2 4,-0.1 0.544 98.6 0.8-131.4 -21.3 7.0 22.2 -14.7 39 71 A K S > S+ 0 0 158 3,-0.1 3,-1.0 4,-0.1 -2,-0.1 0.483 134.7 30.6-140.1 -76.8 6.3 22.0 -18.6 40 72 A E T 3 S+ 0 0 107 1,-0.2 7,-0.4 5,-0.1 8,-0.3 0.863 143.4 25.1 -61.6 -31.4 4.7 18.8 -20.0 41 73 A L T 3 S+ 0 0 11 6,-0.1 -1,-0.2 5,-0.1 -4,-0.2 -0.060 98.2 130.2-121.3 38.5 3.0 18.5 -16.6 42 74 A G S X S- 0 0 4 -3,-1.0 3,-1.6 -6,-0.1 6,-0.3 -0.272 75.2 -95.5 -82.2 169.1 3.0 22.2 -15.5 43 75 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.883 124.0 52.0 -49.0 -39.5 -0.0 24.2 -14.2 44 76 A N T 3 S+ 0 0 146 -6,-0.1 2,-0.2 4,-0.1 -6,-0.0 0.220 93.2 104.2 -85.6 17.4 -0.7 25.6 -17.7 45 77 A S S <> S- 0 0 18 -3,-1.6 4,-1.5 1,-0.1 -5,-0.1 -0.663 72.5-126.4-114.4 153.9 -0.7 22.2 -19.6 46 78 A S H > S+ 0 0 112 -2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.860 109.8 51.6 -62.3 -40.9 -3.4 19.9 -21.1 47 79 A K H >4 S+ 0 0 121 -7,-0.4 3,-0.6 1,-0.2 4,-0.5 0.961 109.8 50.5 -59.6 -49.3 -2.2 16.8 -19.2 48 80 A T H >4 S+ 0 0 13 -8,-0.3 3,-1.5 -6,-0.3 -1,-0.2 0.866 94.2 76.3 -54.6 -40.3 -2.3 18.6 -15.8 49 81 A Y H 3< S+ 0 0 157 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.704 98.0 36.0 -59.2 -40.4 -5.8 20.0 -16.2 50 82 A G T << S+ 0 0 34 -3,-0.6 90,-0.4 -4,-0.6 -1,-0.3 0.580 90.6 114.6 -85.1 -9.4 -8.1 16.9 -15.6 51 83 A I < - 0 0 22 -3,-1.5 2,-0.4 -4,-0.5 88,-0.2 -0.421 42.8-175.8 -70.5 127.0 -5.8 15.5 -12.9 52 84 A K E -C 138 0B 145 86,-2.9 86,-2.0 -2,-0.2 2,-0.6 -0.969 24.6-126.9-122.2 141.2 -7.2 15.4 -9.3 53 85 A W E +C 137 0B 42 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.780 40.0 163.6 -90.4 121.3 -5.3 14.3 -6.3 54 86 A K E -C 136 0B 65 82,-2.1 82,-2.6 -2,-0.6 -2,-0.0 -0.988 34.3-123.0-137.3 146.6 -7.2 11.6 -4.4 55 87 A R >> - 0 0 13 -2,-0.3 3,-2.2 80,-0.3 4,-1.5 -0.542 28.3-117.5 -80.1 149.2 -6.3 9.0 -1.7 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.808 118.8 60.7 -56.2 -26.1 -6.8 5.3 -2.3 57 89 A T H 34 S+ 0 0 50 1,-0.2 52,-0.0 2,-0.2 0, 0.0 0.548 105.1 47.0 -78.1 -10.0 -9.2 5.5 0.7 58 90 A E H <4 S+ 0 0 116 -3,-2.2 -1,-0.2 1,-0.0 3,-0.1 0.659 114.2 48.1 -95.8 -26.9 -11.3 8.1 -1.3 59 91 A L H < S+ 0 0 44 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.882 119.1 20.5 -76.7 -43.4 -11.3 5.9 -4.5 60 92 A L < - 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 92,-0.0 -0.935 61.3-132.4-136.0 149.9 -12.2 2.5 -3.0 61 93 A S S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.843 106.7 29.4 -69.1 -34.2 -13.9 1.0 -0.0 62 94 A N S S+ 0 0 97 -6,-0.1 -1,-0.2 -3,-0.0 -5,-0.1 -0.436 74.4 172.7-130.0 63.3 -11.2 -1.6 0.5 63 95 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.409 14.6-159.2 -70.7 146.8 -7.7 -0.3 -0.8 64 96 A Q B -e 153 0C 52 88,-2.9 90,-2.0 1,-0.1 91,-0.2 -0.943 20.4-148.8-128.0 144.3 -4.7 -2.6 0.0 65 97 A F S S+ 0 0 8 -2,-0.3 90,-2.5 1,-0.3 2,-0.4 0.950 92.4 13.6 -74.2 -54.5 -1.1 -1.8 0.2 66 98 A I - 0 0 53 41,-0.2 2,-0.5 88,-0.2 -1,-0.3 -0.995 68.4-172.2-125.0 126.6 0.1 -5.2 -0.9 67 99 A V S S- 0 0 24 2,-0.4 83,-0.1 -2,-0.4 86,-0.1 -0.984 76.8 -13.1-116.6 123.3 -2.3 -7.9 -2.5 68 100 A D S S- 0 0 148 -2,-0.5 -1,-0.1 2,-0.1 0, 0.0 0.884 128.7 -53.7 55.5 39.2 -0.9 -11.5 -3.1 69 101 A G S S- 0 0 33 1,-0.1 2,-0.9 -3,-0.1 -2,-0.4 0.148 70.6 -72.9 83.1 158.5 2.6 -10.2 -2.5 70 102 A A S S+ 0 0 10 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.838 73.2 156.2 -88.5 102.9 4.6 -7.3 -4.0 71 103 A T > - 0 0 50 -2,-0.9 3,-1.9 23,-0.0 4,-0.1 -0.772 57.3 -98.8-132.2 168.8 5.4 -8.8 -7.5 72 104 A R G > S+ 0 0 48 1,-0.3 3,-1.3 -2,-0.2 18,-0.1 0.692 113.7 70.0 -72.8 -17.4 6.2 -7.5 -11.0 73 105 A T G 3 S+ 0 0 58 1,-0.2 76,-1.3 17,-0.1 -1,-0.3 0.583 88.8 68.7 -68.9 -6.3 2.6 -7.8 -12.3 74 106 A D G < S+ 0 0 5 -3,-1.9 2,-0.7 74,-0.2 -1,-0.2 0.383 83.0 82.1 -88.0 -3.5 1.9 -4.8 -9.9 75 107 A I < + 0 0 0 -3,-1.3 2,-0.5 73,-0.1 73,-0.2 -0.830 50.0 154.9-109.5 88.2 4.1 -2.6 -12.2 76 108 A C B -F 147 0D 13 71,-2.2 71,-1.7 -2,-0.7 190,-0.3 -0.959 41.7-127.2-118.1 107.9 1.9 -1.4 -15.1 77 109 A Q - 0 0 16 188,-2.5 69,-0.1 -2,-0.5 2,-0.1 -0.153 24.7-162.6 -57.0 142.8 3.3 1.9 -16.4 78 110 A G - 0 0 22 2,-0.1 2,-1.9 1,-0.0 67,-0.3 -0.057 50.9 -45.5-105.8-148.4 0.9 4.9 -16.8 79 111 A A S S+ 0 0 73 65,-2.6 2,-0.3 -2,-0.1 66,-0.1 -0.401 105.1 91.5 -88.1 60.0 1.2 8.1 -18.8 80 112 A L S S- 0 0 14 -2,-1.9 2,-1.3 93,-0.0 -2,-0.1 -0.965 78.3-124.3-150.1 142.1 4.7 9.0 -17.8 81 113 A G S S+ 0 0 13 -2,-0.3 94,-2.6 1,-0.2 3,-0.3 -0.337 71.9 119.1 -83.7 52.5 7.9 8.2 -19.5 82 114 A D >> + 0 0 0 -2,-1.3 4,-2.2 92,-0.2 3,-0.8 -0.082 21.6 133.2-108.3 35.7 9.4 6.5 -16.5 83 115 A C H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.844 70.7 57.1 -50.2 -40.1 9.9 3.0 -18.1 84 116 A W H 3> S+ 0 0 7 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.848 108.3 46.2 -62.4 -40.1 13.5 2.9 -16.7 85 117 A L H <> S+ 0 0 0 -3,-0.8 4,-2.0 88,-0.2 -1,-0.2 0.918 114.6 46.6 -68.7 -46.7 12.2 3.3 -13.1 86 118 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.823 107.8 54.6 -71.2 -35.0 9.4 0.8 -13.5 87 119 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.901 110.4 50.1 -58.2 -42.5 11.6 -1.9 -15.2 88 120 A A H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.2 -2,-0.2 0.922 110.5 47.2 -62.5 -44.5 13.9 -1.5 -12.1 89 121 A I H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.933 111.1 51.8 -65.1 -43.5 11.0 -1.9 -9.6 90 122 A A H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.941 112.8 45.9 -57.8 -43.9 9.7 -5.0 -11.5 91 123 A S H >< S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.920 105.0 61.8 -61.7 -44.9 13.2 -6.4 -11.3 92 124 A L H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 7,-0.4 0.836 93.6 64.1 -47.7 -40.2 13.5 -5.5 -7.6 93 125 A T T 3< S+ 0 0 17 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.701 89.3 67.1 -64.9 -20.0 10.5 -7.8 -6.8 94 126 A L T < S+ 0 0 75 -3,-1.9 2,-0.7 -4,-0.4 -1,-0.3 0.702 95.7 59.9 -74.3 -16.2 12.4 -10.9 -7.8 95 127 A N <> - 0 0 24 -3,-1.6 4,-2.9 -4,-0.4 3,-0.3 -0.862 69.8-168.5-114.4 95.5 14.8 -10.4 -4.8 96 128 A E H > S+ 0 0 154 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.827 83.5 53.7 -52.4 -40.2 12.7 -10.6 -1.7 97 129 A T H > S+ 0 0 104 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.897 114.6 38.4 -65.4 -46.1 15.4 -9.3 0.6 98 130 A I H >> S+ 0 0 35 -3,-0.3 4,-1.8 1,-0.2 3,-0.6 0.876 112.7 59.9 -74.1 -33.1 16.2 -6.2 -1.4 99 131 A L H 3X S+ 0 0 6 -4,-2.9 4,-2.4 -7,-0.4 -2,-0.2 0.933 105.1 46.8 -58.0 -44.4 12.5 -5.7 -2.1 100 132 A H H 3< S+ 0 0 83 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.582 105.5 59.7 -88.7 -0.4 11.5 -5.4 1.6 101 133 A R H << S+ 0 0 96 -3,-0.6 19,-0.3 -4,-0.6 -1,-0.2 0.890 112.7 38.6 -77.4 -45.9 14.3 -3.0 2.4 102 134 A V H < S+ 0 0 0 -4,-1.8 18,-2.0 1,-0.3 -2,-0.2 0.890 125.1 41.0 -68.0 -36.5 12.9 -0.5 -0.2 103 135 A V S < S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 16,-0.1 -0.851 92.9-142.8-116.3 87.3 9.4 -1.3 0.8 104 136 A P - 0 0 19 0, 0.0 3,-0.5 0, 0.0 -3,-0.1 -0.191 17.8-113.3 -57.2 146.5 9.2 -1.6 4.6 105 137 A Y S S+ 0 0 214 -5,-0.3 -5,-0.0 1,-0.2 0, 0.0 -0.298 88.9 46.7 -69.8 157.6 7.0 -4.2 6.2 106 138 A G S S+ 0 0 61 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.458 70.4 136.6 95.4 3.1 3.9 -3.3 8.3 107 139 A Q + 0 0 12 -3,-0.5 2,-0.3 11,-0.1 -1,-0.2 -0.719 24.1 151.7 -95.5 134.6 2.2 -0.6 6.1 108 140 A S - 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0 0 0 36,-2.9 3,-2.9 -2,-0.4 4,-0.2 -0.676 21.2-136.7 -69.8 122.1 7.5 -4.9 -20.7 265 297 A P T 3 S+ 0 0 0 0, 0.0 -188,-2.5 0, 0.0 -1,-0.1 0.619 99.6 77.5 -63.2 -15.6 6.7 -2.6 -17.7 266 298 A W T 3 S- 0 0 63 -190,-0.3 3,-0.1 2,-0.2 34,-0.1 0.748 102.4-131.4 -50.4 -30.7 3.5 -1.7 -19.6 267 299 A G S < S+ 0 0 15 -3,-2.9 2,-0.3 1,-0.2 33,-0.3 0.659 82.6 50.7 79.3 12.4 2.1 -5.0 -18.4 268 300 A E + 0 0 106 31,-0.3 -2,-0.2 1,-0.2 -1,-0.2 -0.962 67.8 72.1-167.3 168.0 1.1 -5.6 -22.0 269 301 A V - 0 0 21 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.929 60.5-170.1 75.2 94.6 2.4 -5.6 -25.7 270 302 A E - 0 0 0 1,-0.1 -1,-0.1 -34,-0.1 31,-0.1 -0.801 30.0 -82.3-123.5 152.2 4.8 -8.5 -26.2 271 303 A W - 0 0 2 -2,-0.3 6,-0.3 29,-0.2 -36,-0.2 -0.180 32.2-163.7 -39.0 134.4 7.3 -10.0 -28.6 272 304 A K + 0 0 92 -38,-2.7 -1,-0.1 4,-0.1 -37,-0.1 0.083 56.6 96.8-116.2 20.1 5.4 -11.9 -31.4 273 305 A G S > S- 0 0 8 -39,-0.3 3,-1.9 1,-0.2 6,-0.1 -0.126 89.0 -35.1 -90.9-167.9 8.4 -13.9 -32.6 274 306 A P T 3 S+ 0 0 46 0, 0.0 31,-0.4 0, 0.0 -1,-0.2 -0.262 130.7 20.1 -52.4 136.9 9.6 -17.5 -31.8 275 307 A W T 3 S+ 0 0 10 1,-0.3 28,-0.7 29,-0.1 29,-0.1 0.217 90.4 136.1 79.5 -7.0 9.0 -18.5 -28.1 276 308 A S S X S- 0 0 5 -3,-1.9 3,-1.7 26,-0.1 -1,-0.3 -0.106 77.8 -87.7 -51.6 161.7 6.3 -15.8 -27.7 277 309 A D T 3 S+ 0 0 7 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.736 126.8 31.9 -51.2 -34.7 3.1 -17.0 -26.0 278 310 A N T 3 S+ 0 0 109 18,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.126 90.6 126.7-110.9 15.9 1.4 -18.3 -29.2 279 311 A S < - 0 0 16 -3,-1.7 3,-0.5 -6,-0.1 4,-0.2 -0.328 66.7-124.7 -75.0 158.3 4.4 -19.3 -31.1 280 312 A Y S > S+ 0 0 185 1,-0.2 3,-2.8 2,-0.1 4,-0.4 0.809 95.4 84.4 -69.3 -29.3 4.7 -22.8 -32.5 281 313 A E G > S+ 0 0 40 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.783 81.4 62.3 -46.6 -38.3 8.0 -23.5 -30.8 282 314 A W G > S+ 0 0 0 -3,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.754 90.4 68.0 -62.6 -28.7 6.2 -24.6 -27.6 283 315 A N G < S+ 0 0 98 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.666 102.0 49.6 -55.9 -20.2 4.6 -27.5 -29.6 284 316 A K G < S+ 0 0 96 -3,-2.0 -31,-2.3 -4,-0.4 -30,-0.3 0.180 91.1 81.6-119.8 15.5 8.0 -29.1 -29.8 285 317 A V S < S- 0 0 7 -3,-1.1 -33,-0.1 -33,-0.2 -35,-0.0 -0.639 96.0 -80.6-104.3 170.7 9.5 -29.0 -26.3 286 318 A D > - 0 0 78 -35,-0.4 4,-1.9 -2,-0.2 5,-0.2 -0.514 43.3-112.1 -76.6 148.0 8.5 -31.8 -23.8 287 319 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.795 112.3 51.9 -46.1 -42.2 5.1 -31.2 -22.1 288 320 A Y H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.948 109.6 46.7 -64.9 -54.0 6.5 -30.6 -18.6 289 321 A E H > S+ 0 0 41 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.861 113.0 53.4 -51.6 -41.8 9.0 -27.9 -19.6 290 322 A R H X S+ 0 0 44 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.926 111.9 42.4 -60.5 -48.4 6.2 -26.3 -21.6 291 323 A E H < S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.664 114.8 51.1 -80.8 -14.9 3.8 -26.2 -18.7 292 324 A Q H < S+ 0 0 112 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.772 125.5 23.7 -81.8 -32.5 6.5 -25.0 -16.2 293 325 A L H < S+ 0 0 25 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.781 103.2 78.2-108.5 -40.2 7.7 -22.1 -18.5 294 326 A R < + 0 0 47 -4,-2.7 2,-0.4 -5,-0.3 -18,-0.1 -0.612 46.3 178.5 -82.6 134.5 4.9 -21.0 -20.8 295 327 A V - 0 0 84 -2,-0.3 2,-1.2 6,-0.1 -18,-0.1 -0.955 20.8-148.3-128.4 109.7 2.1 -18.8 -19.6 296 328 A K + 0 0 127 -2,-0.4 2,-0.3 2,-0.1 -2,-0.0 -0.702 55.3 116.8 -77.3 98.4 -0.4 -17.8 -22.3 297 329 A M S S- 0 0 109 -2,-1.2 2,-1.6 4,-0.2 4,-0.2 -0.883 71.8-122.0-169.0 124.3 -1.4 -14.4 -20.9 298 330 A E + 0 0 100 -2,-0.3 -2,-0.1 1,-0.2 4,-0.1 -0.624 65.4 131.5 -69.3 86.0 -1.1 -10.8 -22.2 299 331 A D S S- 0 0 22 -2,-1.6 -31,-0.3 2,-0.3 -1,-0.2 0.294 79.7-106.2-123.9 5.7 0.9 -9.7 -19.2 300 332 A G S S+ 0 0 0 -33,-0.3 -36,-2.9 1,-0.2 2,-0.4 0.195 90.0 111.4 84.2 -16.0 3.8 -8.0 -20.8 301 333 A E E +K 263 0E 19 -38,-0.3 -2,-0.3 -4,-0.2 2,-0.3 -0.786 39.6 150.8 -99.4 132.4 6.1 -10.9 -20.0 302 334 A F E -K 262 0E 6 -40,-2.7 -40,-2.2 -2,-0.4 2,-0.3 -0.989 37.9-111.7-154.9 160.3 7.5 -13.3 -22.7 303 335 A W E +K 261 0E 8 -28,-0.7 2,-0.3 -2,-0.3 -42,-0.2 -0.733 25.6 179.0 -93.6 143.5 10.3 -15.7 -23.7 304 336 A M E -K 260 0E 5 -44,-2.4 -44,-2.4 -2,-0.3 2,-0.3 -0.920 37.4-105.8-121.8 156.1 12.9 -15.2 -26.6 305 337 A S E > -K 259 0E 15 -31,-0.4 4,-2.8 -2,-0.3 3,-0.3 -0.627 34.0-118.6 -64.8 146.4 15.7 -17.5 -27.6 306 338 A F H > S+ 0 0 28 -48,-2.7 4,-2.5 -2,-0.3 5,-0.2 0.869 115.5 57.9 -53.9 -37.1 19.0 -16.0 -26.4 307 339 A R H > S+ 0 0 169 -49,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.900 110.3 42.4 -58.9 -46.3 20.1 -15.8 -30.2 308 340 A D H >> S+ 0 0 11 -3,-0.3 4,-3.4 2,-0.2 3,-0.5 0.907 111.1 56.2 -67.7 -44.8 17.0 -13.7 -31.0 309 341 A F H 3X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.929 108.2 46.5 -51.0 -51.6 17.4 -11.5 -27.9 310 342 A I H 3< S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.655 116.5 46.3 -72.6 -18.6 21.0 -10.5 -28.8 311 343 A R H << S+ 0 0 117 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.828 119.5 38.4 -82.1 -43.8 19.9 -9.8 -32.3 312 344 A E H < S+ 0 0 45 -4,-3.4 -2,-0.2 -5,-0.1 2,-0.2 0.920 112.6 55.8 -77.8 -46.6 16.8 -7.8 -31.4 313 345 A F < - 0 0 3 -4,-3.0 -93,-0.2 -5,-0.3 3,-0.1 -0.538 57.3-164.9 -87.8 155.7 18.1 -5.9 -28.3 314 346 A T + 0 0 30 -95,-1.9 -119,-1.9 1,-0.3 -118,-0.5 0.706 68.1 39.4-112.6 -20.8 21.1 -3.6 -28.2 315 347 A K E -GH 194 219E 44 -96,-2.0 -96,-1.8 -121,-0.2 2,-0.4 -0.991 50.8-172.6-140.4 133.7 21.8 -3.1 -24.5 316 348 A L E -GH 193 218E 0 -123,-1.9 -123,-3.1 -2,-0.4 2,-0.4 -0.997 10.5-162.9-120.5 133.7 21.8 -5.1 -21.3 317 349 A E E -GH 192 217E 2 -100,-2.8 -100,-2.0 -2,-0.4 2,-0.4 -0.932 5.1-173.0-113.7 131.4 22.3 -3.6 -17.9 318 350 A I E -GH 191 216E 0 -127,-2.9 -127,-2.5 -2,-0.4 2,-0.6 -0.991 7.4-164.7-126.2 127.7 23.2 -5.7 -14.8 319 351 A C E -GH 190 215E 0 -104,-2.9 -104,-2.2 -2,-0.4 2,-0.5 -0.964 12.6-162.5-112.3 114.6 23.4 -4.3 -11.2 320 352 A N E -G 189 0E 24 -131,-2.5 -131,-2.0 -2,-0.6 2,-0.1 -0.837 6.9-172.7 -97.5 130.8 25.2 -6.6 -8.9 321 353 A L 0 0 26 -2,-0.5 -107,-0.1 -133,-0.2 -134,-0.1 -0.253 360.0 360.0-102.0-162.6 24.8 -6.3 -5.1 322 354 A T 0 0 190 -2,-0.1 -1,-0.2 -108,-0.0 -134,-0.0 0.559 360.0 360.0 -99.6 360.0 26.6 -8.0 -2.2 323 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 324 501 A X 0 0 180 0, 0.0 -147,-0.2 0, 0.0 -241,-0.0 0.000 360.0 360.0 360.0 360.0 15.2 6.3 -22.3