==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-06 2OA0 . COMPND 2 MOLECULE: SARCOPLASMIC/ENDOPLASMIC RETICULUM CALCIUM ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR H.S.YOUNG,K.A.MONCOQ . 980 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 55 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 4 5 5 1 1 3 3 1 3 2 2 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 5 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 PARALLEL BRIDGES PER LADDER . 4 3 4 2 4 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 1 A M > 0 0 30 0, 0.0 3,-0.5 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 110.1 41.4 -29.9 60.1 2 2 A E T 3 + 0 0 123 1,-0.2 2,-1.5 2,-0.1 3,-0.4 0.984 360.0 38.6 -71.0 -67.1 37.8 -28.5 59.9 3 3 A A T > S+ 0 0 37 1,-0.2 3,-0.8 2,-0.1 4,-0.5 -0.277 71.6 138.5 -88.0 55.7 36.5 -27.4 63.3 4 4 A A G X + 0 0 1 -2,-1.5 3,-2.2 -3,-0.5 -1,-0.2 0.924 61.0 63.9 -64.3 -49.1 39.8 -25.9 64.5 5 5 A H G 3 S+ 0 0 6 -3,-0.4 189,-2.0 1,-0.3 -1,-0.2 0.750 105.4 49.4 -44.7 -28.0 38.4 -22.8 66.2 6 6 A S G < S+ 0 0 18 -3,-0.8 2,-0.3 187,-0.2 -1,-0.3 0.589 96.3 80.3 -97.0 -13.2 36.6 -25.1 68.6 7 7 A K S < S- 0 0 94 -3,-2.2 187,-0.2 -4,-0.5 5,-0.1 -0.690 87.5-104.3 -92.4 149.9 39.5 -27.3 69.6 8 8 A S > - 0 0 24 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.087 31.7-105.5 -64.0 168.7 42.0 -26.1 72.2 9 9 A T H > S+ 0 0 28 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.872 126.1 47.1 -65.8 -31.6 45.5 -24.9 71.2 10 10 A E H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.811 106.4 57.1 -75.5 -32.7 46.8 -28.3 72.5 11 11 A E H > S+ 0 0 94 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.815 102.8 55.8 -68.7 -28.7 44.1 -30.3 70.7 12 12 A C H X S+ 0 0 2 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.793 110.0 43.4 -75.5 -29.2 45.3 -28.8 67.4 13 13 A L H X>S+ 0 0 31 -4,-0.7 5,-1.2 -3,-0.2 4,-1.2 0.881 110.7 56.0 -78.4 -41.1 48.9 -29.9 67.8 14 14 A A H <5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.704 105.6 54.0 -62.2 -21.9 47.7 -33.3 69.0 15 15 A Y H <5S+ 0 0 129 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 117.8 33.1 -83.0 -32.4 45.8 -33.6 65.8 16 16 A F H <5S- 0 0 10 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.386 100.8-129.3-104.4 2.9 48.8 -32.9 63.6 17 17 A G T <5 + 0 0 53 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.951 60.9 140.3 45.8 59.8 51.4 -34.5 65.8 18 18 A V < - 0 0 19 -5,-1.2 2,-0.5 6,-0.1 -1,-0.2 -0.952 52.1-127.6-135.6 150.6 53.5 -31.4 65.6 19 19 A S B > -A 23 0A 47 4,-0.6 4,-0.6 -2,-0.3 131,-0.2 -0.864 8.0-147.5-102.5 128.2 55.7 -29.4 68.0 20 20 A E T 4 S+ 0 0 66 -2,-0.5 -1,-0.1 1,-0.2 201,-0.0 0.855 103.0 46.0 -59.4 -35.0 55.1 -25.7 68.3 21 21 A T T 4 S+ 0 0 122 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.928 127.7 23.5 -73.3 -48.4 58.9 -25.3 69.0 22 22 A T T 4 S- 0 0 69 1,-0.1 2,-0.3 111,-0.0 -2,-0.1 0.969 90.0-159.0 -82.7 -73.1 60.1 -27.5 66.2 23 23 A G B < -A 19 0A 2 -4,-0.6 -4,-0.6 109,-0.1 2,-0.3 -0.806 42.6 -9.1 120.1-164.3 57.5 -27.8 63.5 24 24 A L B -b 131 0B 0 106,-0.5 108,-2.6 -2,-0.3 109,-0.5 -0.517 62.8-126.3 -76.1 130.3 56.8 -30.3 60.7 25 25 A T >> - 0 0 56 -2,-0.3 4,-1.8 106,-0.2 3,-0.8 -0.496 27.6-114.8 -68.0 142.5 59.3 -33.0 59.9 26 26 A P T 34 S+ 0 0 61 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.653 117.9 58.1 -57.3 -16.0 60.3 -33.0 56.2 27 27 A D T >> S+ 0 0 85 2,-0.2 4,-2.1 1,-0.1 3,-1.0 0.912 103.3 50.1 -74.0 -48.3 58.6 -36.4 56.0 28 28 A Q H <> S+ 0 0 20 -3,-0.8 4,-3.0 1,-0.3 5,-0.3 0.861 102.6 60.6 -58.8 -39.5 55.3 -35.1 57.2 29 29 A V H 3X S+ 0 0 16 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.806 108.4 47.0 -59.2 -28.3 55.5 -32.3 54.6 30 30 A K H <> S+ 0 0 147 -3,-1.0 4,-1.4 -4,-0.5 -2,-0.2 0.951 114.1 42.2 -77.4 -54.2 55.5 -35.1 52.0 31 31 A R H X S+ 0 0 133 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.932 118.2 48.5 -57.1 -47.2 52.7 -37.3 53.4 32 32 A H H X>S+ 0 0 14 -4,-3.0 4,-3.3 1,-0.2 5,-0.5 0.954 106.5 52.6 -60.3 -56.1 50.6 -34.2 54.0 33 33 A L H X5S+ 0 0 31 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.2 0.811 113.0 48.8 -52.9 -28.2 51.1 -32.5 50.7 34 34 A E H <5S+ 0 0 157 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.837 114.9 43.6 -77.7 -35.3 49.9 -35.9 49.2 35 35 A K H <5S+ 0 0 154 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.2 0.925 131.0 20.9 -73.5 -45.6 46.9 -36.1 51.5 36 36 A Y H <5S- 0 0 74 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.455 97.8-137.5-108.5 -4.9 45.7 -32.5 51.2 37 37 A G << - 0 0 30 -4,-1.1 -1,-0.2 -5,-0.5 2,-0.2 -0.161 45.2 -33.4 74.0-173.7 47.3 -31.3 47.9 38 38 A H - 0 0 59 1,-0.1 2,-2.3 -4,-0.1 106,-0.2 -0.471 58.2-109.1 -84.6 153.2 48.9 -27.9 47.4 39 39 A N S S+ 0 0 9 104,-1.1 2,-0.3 106,-0.4 106,-0.2 -0.404 82.9 100.3 -79.3 65.5 47.9 -24.6 49.0 40 40 A E S S- 0 0 70 -2,-2.3 188,-0.1 103,-0.1 3,-0.1 -0.929 73.7-107.4-143.7 164.6 46.5 -23.1 45.8 41 41 A L - 0 0 7 -2,-0.3 3,-0.1 186,-0.1 186,-0.0 -0.738 56.4 -85.0 -90.2 146.9 43.2 -22.5 43.9 42 42 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.234 55.2-104.8 -51.3 136.8 42.5 -24.7 40.9 43 43 A A - 0 0 81 1,-0.2 74,-0.0 2,-0.1 -3,-0.0 -0.274 50.2 -74.6 -65.5 150.6 44.2 -23.1 37.8 44 44 A E - 0 0 101 1,-0.1 -1,-0.2 -3,-0.1 3,-0.0 -0.045 35.1-129.5 -45.8 141.4 42.1 -21.3 35.2 45 45 A E - 0 0 157 -3,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.761 52.5-122.8 -66.9 -24.8 40.0 -23.6 33.0 46 46 A G - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.239 33.9-171.5 95.4 145.5 41.4 -21.8 29.9 47 47 A K - 0 0 150 -3,-0.0 2,-0.1 5,-0.0 65,-0.0 -0.644 1.3-174.0-142.2-162.1 39.9 -19.8 26.9 48 48 A S >> - 0 0 14 -2,-0.2 4,-1.9 2,-0.1 3,-0.5 -0.346 37.9-115.7 158.1 134.0 41.1 -18.2 23.6 49 49 A L T 34 S+ 0 0 81 1,-0.2 58,-0.1 2,-0.2 -1,-0.0 0.256 112.1 58.2 -67.2 18.3 39.8 -16.1 20.6 50 50 A W T 3> S+ 0 0 157 -2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.737 111.5 34.5-107.0 -46.5 40.4 -19.0 18.3 51 51 A E H <> S+ 0 0 112 -3,-0.5 4,-0.7 2,-0.2 -2,-0.2 0.622 116.0 60.0 -78.4 -11.1 38.1 -21.6 19.9 52 52 A L H < S+ 0 0 50 -4,-1.9 4,-0.2 2,-0.2 -1,-0.2 0.825 107.4 44.9 -77.2 -36.5 35.8 -18.8 20.8 53 53 A V H >> S+ 0 0 36 -5,-0.3 3,-1.3 1,-0.2 4,-1.1 0.892 111.7 51.7 -71.0 -40.5 35.5 -18.1 17.1 54 54 A I H 3X S+ 0 0 104 -4,-1.9 4,-0.6 1,-0.3 -2,-0.2 0.757 102.9 61.2 -69.3 -21.3 35.0 -21.8 16.4 55 55 A E H 3< S+ 0 0 134 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.580 101.5 53.3 -79.6 -9.4 32.3 -21.8 19.1 56 56 A Q H X4 S+ 0 0 66 -3,-1.3 3,-1.0 -4,-0.2 6,-0.2 0.795 102.0 56.6 -89.1 -33.3 30.3 -19.3 17.0 57 57 A F H 3< S+ 0 0 43 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.650 91.9 69.5 -76.5 -16.6 30.3 -21.2 13.8 58 58 A E T 3< S+ 0 0 141 -4,-0.6 -1,-0.2 5,-0.0 -2,-0.1 0.608 76.2 109.9 -76.6 -10.8 28.7 -24.4 15.2 59 59 A D S < S- 0 0 71 -3,-1.0 4,-0.3 1,-0.1 5,-0.1 -0.318 80.2-116.9 -65.9 149.8 25.5 -22.5 15.6 60 60 A L S >> S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 3,-0.9 0.898 108.4 41.2 -57.6 -52.3 22.7 -23.6 13.3 61 61 A L H 3> S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.881 113.3 52.4 -66.7 -40.2 22.1 -20.4 11.2 62 62 A V H 34 S+ 0 0 36 1,-0.2 -1,-0.3 -6,-0.2 -2,-0.2 0.462 108.6 54.6 -77.7 0.5 25.8 -19.6 10.9 63 63 A R H <> S+ 0 0 149 -3,-0.9 4,-1.1 -4,-0.3 -1,-0.2 0.716 109.4 46.1 -92.6 -34.4 26.0 -23.2 9.6 64 64 A I H X S+ 0 0 34 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.920 110.6 50.0 -74.3 -48.0 23.4 -22.5 6.9 65 65 A L H X S+ 0 0 9 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.788 113.6 49.0 -60.2 -27.3 24.9 -19.2 5.7 66 66 A L H > S+ 0 0 59 -5,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.763 108.3 52.6 -82.1 -28.8 28.2 -21.1 5.5 67 67 A L H X S+ 0 0 96 -4,-1.1 4,-1.9 2,-0.2 3,-0.5 0.890 107.6 51.8 -68.8 -41.4 26.4 -23.9 3.6 68 68 A A H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.764 106.7 54.5 -65.1 -26.8 25.1 -21.3 1.2 69 69 A A H < S+ 0 0 8 -4,-0.6 4,-0.3 -5,-0.2 -1,-0.2 0.729 106.4 51.5 -77.7 -24.3 28.7 -20.1 0.8 70 70 A C H X S+ 0 0 76 -4,-0.8 4,-1.4 -3,-0.5 3,-0.3 0.856 113.9 43.5 -75.6 -38.6 29.7 -23.7 -0.1 71 71 A I H X S+ 0 0 31 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.851 103.0 64.0 -75.6 -36.9 27.0 -23.8 -2.8 72 72 A S H X S+ 0 0 9 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.750 109.5 44.8 -56.3 -22.3 27.8 -20.3 -4.0 73 73 A F H 4 S+ 0 0 94 -4,-0.3 4,-0.4 -3,-0.3 3,-0.4 0.849 106.9 53.9 -88.5 -42.3 31.1 -21.9 -5.0 74 74 A V H < S+ 0 0 93 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.373 104.8 61.7 -77.1 7.0 29.9 -25.2 -6.5 75 75 A L H < S+ 0 0 22 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.809 98.2 48.2-102.1 -38.3 27.7 -23.2 -8.9 76 76 A A S < S- 0 0 39 -4,-0.5 2,-0.2 -3,-0.4 -2,-0.1 0.966 104.7 -87.7 -67.7 -89.5 30.1 -21.0 -10.9 77 77 A W - 0 0 160 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.0 -0.687 38.4 -68.3-158.4-143.1 32.9 -23.3 -12.2 78 78 A F - 0 0 178 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.216 65.9 -32.1-108.6-142.4 36.3 -24.9 -11.7 79 79 A E S S- 0 0 135 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 -0.445 84.6 -37.7 -94.0 168.2 40.1 -23.9 -11.5 80 80 A E + 0 0 148 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 0.484 58.1 137.8 -41.7 146.9 41.9 -21.1 -13.2 81 81 A G - 0 0 61 1,-0.4 -1,-0.1 -3,-0.1 2,-0.1 -0.152 57.9 -66.3-139.9-119.8 41.6 -19.6 -16.7 82 82 A E - 0 0 176 -2,-0.1 2,-0.5 0, 0.0 -1,-0.4 0.029 68.5 -47.7-117.1-132.2 41.7 -15.9 -17.6 83 83 A E + 0 0 133 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 -0.955 46.0 144.0-127.0 127.6 39.3 -13.0 -16.9 84 84 A T > - 0 0 89 -2,-0.5 3,-1.2 1,-0.0 -1,-0.1 -0.630 48.7-166.6-119.8 61.8 35.7 -12.2 -16.9 85 85 A I T 3 + 0 0 139 1,-0.2 3,-0.2 2,-0.1 -1,-0.0 0.572 62.5 77.8 -11.5 -56.9 36.9 -10.3 -13.8 86 86 A T T 3 S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.565 73.2 78.8 -27.6 -45.1 33.4 -9.6 -12.4 87 87 A A X + 0 0 22 -3,-1.2 2,-2.6 1,-0.1 3,-0.5 0.845 59.1 71.1 -63.0 -70.8 32.1 -12.8 -10.8 88 88 A F T 3 + 0 0 75 -3,-0.2 -1,-0.1 1,-0.2 -15,-0.0 -0.191 64.0 105.8 -67.7 73.2 33.0 -14.2 -7.4 89 89 A V T >> + 0 0 32 -2,-2.6 4,-3.2 3,-0.1 3,-0.8 0.795 66.4 62.2-105.9 -53.0 31.3 -11.8 -5.0 90 90 A E H <> S+ 0 0 52 -3,-0.5 4,-0.7 1,-0.3 -18,-0.1 0.790 112.2 38.6 -50.5 -36.5 28.3 -13.8 -3.8 91 91 A P H 3> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.719 120.3 46.4 -87.7 -18.3 30.5 -16.4 -2.1 92 92 A F H <> S+ 0 0 131 -3,-0.8 4,-1.1 2,-0.2 -2,-0.2 0.696 106.5 56.1 -92.9 -23.0 33.1 -13.9 -0.9 93 93 A V H X S+ 0 0 40 -4,-3.2 4,-2.6 2,-0.2 -3,-0.2 0.891 109.6 46.1 -75.1 -39.5 30.7 -11.3 0.5 94 94 A I H X S+ 0 0 3 -4,-0.7 4,-3.2 -5,-0.3 5,-0.2 0.942 113.5 47.2 -67.4 -48.2 29.0 -13.8 2.9 95 95 A L H X S+ 0 0 84 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.799 112.4 52.2 -65.2 -29.0 32.3 -15.3 4.1 96 96 A L H X S+ 0 0 117 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.960 112.6 45.0 -65.0 -52.9 33.6 -11.8 4.6 97 97 A I H X S+ 0 0 9 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.910 108.7 55.5 -57.2 -48.7 30.5 -11.0 6.6 98 98 A L H >X S+ 0 0 5 -4,-3.2 4,-3.0 1,-0.2 3,-0.6 0.896 108.7 47.0 -56.5 -45.1 30.6 -14.2 8.7 99 99 A I H 3X S+ 0 0 98 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.925 115.3 46.7 -60.6 -43.5 34.1 -13.5 9.9 100 100 A A H 3< S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.530 115.1 48.3 -78.0 -6.2 33.1 -9.9 10.7 101 101 A N H << S+ 0 0 36 -4,-0.9 4,-0.3 -3,-0.6 -2,-0.2 0.794 110.5 47.2 -98.0 -38.9 30.0 -11.2 12.4 102 102 A A H >< S+ 0 0 5 -4,-3.0 3,-2.2 1,-0.2 -2,-0.2 0.954 110.3 54.9 -61.6 -50.4 31.6 -13.9 14.6 103 103 A I G >X S+ 0 0 97 -4,-2.1 4,-1.2 1,-0.3 3,-1.2 0.780 99.0 61.2 -54.0 -32.2 34.3 -11.5 15.7 104 104 A V G 34 S+ 0 0 40 1,-0.3 -1,-0.3 -4,-0.2 4,-0.2 0.611 92.5 67.3 -75.3 -9.9 31.6 -9.0 16.9 105 105 A G G <4 S+ 0 0 19 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.137 113.6 27.0 -90.2 20.3 30.5 -11.7 19.3 106 106 A V T X4 S+ 0 0 21 -3,-1.2 3,-1.5 4,-0.0 5,-0.2 0.462 111.9 46.7-140.5 -76.0 33.8 -11.3 21.2 107 107 A W T 3< S+ 0 0 206 -4,-1.2 -3,-0.1 1,-0.3 3,-0.1 0.428 132.1 26.6 -71.0 0.6 35.9 -8.1 21.2 108 108 A Q T 3 S+ 0 0 100 -5,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.111 114.2 70.4-135.9 13.1 32.8 -6.0 22.0 109 109 A E S < S- 0 0 37 -3,-1.5 -2,-0.1 -6,-0.2 219,-0.1 -0.556 88.8-145.6-119.8 62.4 31.0 -8.9 23.6 110 110 A R + 0 0 160 1,-0.1 219,-0.3 217,-0.1 -3,-0.1 0.020 37.7 155.4 -37.0 113.0 33.2 -9.0 26.8 111 111 A N + 0 0 98 -5,-0.2 -1,-0.1 217,-0.1 3,-0.1 -0.189 43.6 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111.5 37.3 -71.9 -0.2 13.7 -26.3 0.2 269 269 A V T > S+ 0 0 85 -3,-0.4 4,-1.2 -5,-0.1 -1,-0.3 0.431 112.1 59.3-119.3 -16.4 11.6 -29.4 -0.1 270 270 A A H > S+ 0 0 25 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.787 102.0 52.6 -81.4 -32.0 8.4 -27.5 -0.7 271 271 A V H >X S+ 0 0 11 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.864 109.1 52.3 -66.5 -35.6 9.8 -25.9 -3.8 272 272 A W H >4 S+ 0 0 165 -5,-0.3 3,-1.0 1,-0.2 -2,-0.2 0.875 100.4 61.5 -64.5 -40.8 10.6 -29.5 -4.8 273 273 A L H 3< S+ 0 0 148 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.678 106.8 45.0 -62.5 -20.3 7.0 -30.5 -4.2 274 274 A I H << 0 0 98 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.521 360.0 360.0-100.5 -9.1 5.9 -28.1 -6.9 275 275 A N << 0 0 112 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.014 360.0 360.0-106.8 360.0 8.6 -29.2 -9.4 276 ! 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 0.0 277 284 A H 0 0 177 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.1 14.7 -32.3 -24.0 278 285 A G + 0 0 67 2,-0.1 592,-0.0 0, 0.0 0, 0.0 -0.165 360.0 69.1-138.0-124.0 18.4 -32.8 -24.7 279 286 A G S S- 0 0 70 -2,-0.1 2,-0.2 2,-0.0 0, 0.0 0.274 75.6 -74.6 40.6-148.7 21.6 -32.0 -22.7 280 287 A S - 0 0 109 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.657 37.8 -89.9-137.1-169.5 22.7 -33.6 -19.4 281 288 A W S > S+ 0 0 250 -2,-0.2 4,-0.8 1,-0.2 -2,-0.0 0.324 99.9 75.9 -91.6 4.9 22.1 -33.9 -15.6 282 289 A I H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.852 87.9 49.6 -93.7 -37.4 24.3 -31.1 -14.4 283 290 A R H > S+ 0 0 168 2,-0.2 4,-1.7 -3,-0.2 -1,-0.1 0.794 109.2 55.4 -73.0 -30.2 22.5 -27.8 -15.1 284 291 A G H > S+ 0 0 37 -4,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.944 109.4 45.8 -64.6 -49.6 19.3 -29.2 -13.5 285 292 A A H < S+ 0 0 52 -4,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.921 112.8 51.4 -58.6 -45.7 21.2 -30.0 -10.3 286 293 A I H >< S+ 0 0 57 -4,-2.0 3,-1.0 2,-0.1 4,-0.2 0.836 101.6 63.3 -60.0 -36.8 22.9 -26.5 -10.3 287 294 A Y H >X S+ 0 0 113 -4,-1.7 3,-4.0 1,-0.2 4,-0.8 0.972 97.8 49.4 -56.2 -74.9 19.6 -24.7 -10.7 288 295 A Y H 3X S+ 0 0 19 -4,-1.0 4,-1.0 1,-0.3 -1,-0.2 0.557 104.1 67.5 -35.3 -14.9 17.7 -25.6 -7.4 289 296 A F H <> S+ 0 0 77 -3,-1.0 4,-0.8 -4,-0.3 -1,-0.3 0.504 93.4 54.8 -94.8 -8.6 21.0 -24.5 -5.8 290 297 A K H <> S+ 0 0 122 -3,-4.0 4,-2.4 -4,-0.2 -2,-0.2 0.843 110.6 44.9 -84.8 -42.4 20.6 -20.9 -6.7 291 298 A I H X S+ 0 0 27 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.799 109.9 55.6 -71.9 -30.4 17.2 -20.6 -5.1 292 299 A A H X S+ 0 0 32 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.953 112.9 41.6 -63.5 -49.3 18.4 -22.5 -2.0 293 300 A V H X S+ 0 0 7 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.875 114.2 52.3 -65.5 -38.7 21.1 -19.9 -1.6 294 301 A A H X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.896 110.8 47.8 -62.3 -39.9 18.7 -17.1 -2.4 295 302 A L H X S+ 0 0 6 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.813 107.2 58.9 -69.6 -31.3 16.3 -18.5 0.2 296 303 A A H >X S+ 0 0 3 -4,-1.8 4,-1.1 1,-0.2 3,-0.5 0.952 112.2 36.4 -62.4 -51.6 19.3 -18.7 2.6 297 304 A V H 3< S+ 0 0 0 -4,-2.1 5,-0.2 1,-0.2 -1,-0.2 0.692 110.6 65.3 -77.3 -17.2 20.0 -15.0 2.4 298 305 A A H 3< S+ 0 0 0 -4,-1.2 467,-0.4 -5,-0.2 466,-0.3 0.753 109.8 33.3 -77.2 -24.5 16.3 -14.1 2.2 299 306 A A H << S+ 0 0 11 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.662 99.4 85.8-106.3 -21.8 15.4 -15.3 5.7 300 307 A I < - 0 0 10 -4,-1.1 2,-1.5 -5,-0.2 3,-0.1 -0.711 67.2-147.2 -83.7 124.8 18.5 -14.5 7.7 301 308 A P > - 0 0 11 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.551 20.8-179.8 -87.2 71.7 18.7 -11.0 9.1 302 309 A E T 3 S+ 0 0 7 -2,-1.5 4,-0.4 1,-0.3 488,-0.1 0.626 75.8 59.8 -49.7 -15.6 22.5 -10.8 8.7 303 310 A G T >> S+ 0 0 4 486,-0.1 4,-1.7 1,-0.1 3,-1.0 0.902 78.2 88.7 -79.3 -44.1 22.3 -7.3 10.2 304 311 A L H X> S+ 0 0 20 -3,-1.4 4,-3.1 1,-0.2 3,-0.6 0.697 85.8 49.5 -18.9 -73.0 20.7 -8.1 13.5 305 312 A P H 3> S+ 0 0 43 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.878 112.8 46.3 -42.3 -56.4 23.9 -8.7 15.5 306 313 A A H <> S+ 0 0 46 -3,-1.0 4,-1.5 -4,-0.4 -2,-0.2 0.868 116.2 47.1 -57.0 -38.7 25.6 -5.5 14.4 307 314 A V H X S+ 0 0 20 -4,-3.1 4,-2.4 1,-0.2 3,-0.8 0.971 112.0 50.3 -47.8 -65.2 21.8 -5.2 18.6 309 316 A T H 3X S+ 0 0 14 -4,-2.6 4,-3.0 1,-0.3 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-4.4 2.1 789 796 A N H <5S+ 0 0 3 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.803 124.1 37.2 -79.4 -30.1 19.9 -6.4 5.3 790 797 A L H <5S+ 0 0 66 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.877 140.3 1.5 -84.9 -42.4 23.3 -5.0 6.4 791 798 A V T X5S+ 0 0 35 -4,-2.1 4,-1.8 -5,-0.4 -3,-0.2 0.818 123.6 55.0-114.8 -53.7 22.9 -1.4 5.2 792 799 A T T 4 S+ 0 0 5 -6,-0.5 4,-1.5 -7,-0.3 -2,-0.2 0.877 92.7 41.9 -59.1 -48.1 20.6 -1.4 8.9 795 802 A L H X S+ 0 0 65 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.910 116.4 47.5 -70.6 -44.1 20.5 2.3 9.5 796 803 A P H > S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 -2,-0.2 0.893 110.2 53.3 -62.2 -40.9 16.7 2.6 10.1 797 804 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -44,-0.2 0.877 112.0 44.9 -61.8 -39.5 16.7 -0.4 12.5 798 805 A T H >< S+ 0 0 38 -4,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.906 110.0 53.8 -69.7 -43.2 19.5 1.2 14.6 799 806 A A H >< S+ 0 0 10 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.663 95.3 70.2 -65.8 -16.7 17.7 4.6 14.5 800 807 A L G >< S+ 0 0 0 -4,-1.0 3,-0.6 1,-0.2 -1,-0.3 0.459 84.6 72.2 -77.0 -1.0 14.7 2.7 15.8 801 808 A G G < S+ 0 0 2 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.430 89.0 59.3 -90.7 -1.4 16.7 2.4 19.0 802 809 A F G < S+ 0 0 81 -3,-1.2 -1,-0.2 -53,-0.1 118,-0.2 -0.011 74.8 140.4-115.6 25.4 16.2 6.1 19.8 803 810 A N < - 0 0 11 -3,-0.6 -54,-0.1 1,-0.1 -3,-0.0 -0.349 63.9 -98.1 -66.2 148.1 12.4 6.0 19.9 804 811 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.586 43.1-123.3 -70.8 127.0 10.7 8.0 22.6 805 812 A P - 0 0 70 0, 0.0 -60,-0.1 0, 0.0 4,-0.0 -0.378 32.4 -91.6 -73.2 147.7 9.8 5.8 25.6 806 813 A D > - 0 0 98 1,-0.1 3,-0.7 2,-0.1 4,-0.1 -0.086 21.7-132.5 -53.3 154.3 6.2 5.5 26.8 807 814 A L T 3 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.486 112.7 47.0 -87.5 -3.3 5.1 7.9 29.5 808 815 A D T > S+ 0 0 85 1,-0.1 3,-1.7 2,-0.1 -1,-0.2 0.035 75.9 120.5-117.9 19.6 3.6 4.8 31.3 809 816 A I T < S+ 0 0 7 -3,-0.7 3,-0.3 1,-0.3 -2,-0.1 0.801 83.2 36.2 -56.8 -32.0 6.8 2.8 30.8 810 817 A M T 3 S+ 0 0 9 1,-0.2 -1,-0.3 -4,-0.1 -199,-0.1 0.289 102.0 76.1-104.8 6.8 7.1 2.4 34.6 811 818 A D S < S+ 0 0 99 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2,-0.4 1,-0.2 -66,-0.1 0.732 95.0 36.8 -70.2 -24.4 8.4 -11.3 20.6 822 829 A I S S+ 0 0 47 5,-0.0 2,-0.3 -67,-0.0 -1,-0.2 -0.948 84.3 122.9-130.5 111.7 6.0 -12.4 17.8 823 830 A S > + 0 0 59 -2,-0.4 3,-1.1 -3,-0.1 2,-0.3 -0.974 52.0 4.2-165.6 152.3 2.6 -13.9 18.8 824 831 A G T >> S- 0 0 61 -2,-0.3 3,-1.2 1,-0.3 4,-0.9 -0.561 126.5 -5.9 77.8-132.9 -1.1 -13.5 18.4 825 832 A W H 3> S+ 0 0 75 -2,-0.3 4,-1.4 1,-0.3 -1,-0.3 0.741 130.6 68.0 -66.5 -23.8 -2.4 -10.8 16.1 826 833 A L H <> S+ 0 0 15 -3,-1.1 4,-0.8 1,-0.2 -1,-0.3 0.663 95.3 54.9 -72.5 -17.8 1.2 -9.7 15.7 827 834 A F H <> S+ 0 0 132 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.873 111.2 43.5 -78.7 -40.8 1.9 -13.0 13.9 828 835 A F H X S+ 0 0 94 -4,-0.9 4,-0.6 1,-0.2 -2,-0.2 0.686 109.4 58.8 -76.4 -19.7 -0.8 -12.3 11.4 829 836 A R H X S+ 0 0 7 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.803 111.8 39.4 -80.5 -27.8 0.2 -8.7 11.1 830 837 A Y H < S+ 0 0 20 -4,-0.8 4,-0.4 2,-0.2 -2,-0.2 0.447 110.6 57.9 -99.8 -1.5 3.7 -9.7 9.9 831 838 A M H X S+ 0 0 103 -4,-0.5 4,-0.5 3,-0.2 -2,-0.2 0.585 110.7 45.0 -95.5 -14.3 2.5 -12.6 7.8 832 839 A A H X S+ 0 0 25 -4,-0.6 4,-0.7 2,-0.2 -2,-0.2 0.894 115.7 44.3 -84.4 -53.2 0.4 -10.0 5.8 833 840 A I H X S+ 0 0 1 -4,-1.4 4,-1.5 1,-0.2 3,-0.4 0.852 118.1 47.2 -57.5 -34.9 3.2 -7.5 5.6 834 841 A G H > S+ 0 0 0 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.812 111.7 49.7 -75.0 -31.8 5.5 -10.4 4.7 835 842 A G H < S+ 0 0 40 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.420 110.3 52.1 -86.6 -0.1 2.9 -11.7 2.2 836 843 A Y H >X S+ 0 0 55 -4,-0.7 4,-2.4 -3,-0.4 3,-0.7 0.756 108.9 46.2-101.2 -38.3 2.7 -8.2 0.6 837 844 A V H 3X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 5,-0.3 0.837 105.1 62.5 -71.5 -34.2 6.4 -7.6 0.1 838 845 A G H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -68,-0.2 0.553 115.3 34.4 -66.6 -6.8 6.6 -11.1 -1.4 839 846 A A H <> S+ 0 0 45 -3,-0.7 4,-3.0 3,-0.1 -2,-0.2 0.695 112.6 55.7-114.1 -38.6 4.2 -9.9 -4.0 840 847 A A H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 5,-0.2 0.813 109.7 46.5 -70.4 -32.8 5.2 -6.2 -4.5 841 848 A T H < S+ 0 0 0 -4,-1.9 4,-0.3 2,-0.2 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A S S S- 0 0 19 -4,-0.2 8,-0.0 3,-0.2 5,-0.0 -0.977 71.2-131.0-148.1 160.7 5.1 2.4 17.8 906 918 A E S S- 0 0 85 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.908 99.6 -0.2 -80.1 -43.9 3.3 -0.9 18.1 907 919 A N S S+ 0 0 36 2,-0.1 2,-0.4 67,-0.0 -1,-0.1 0.421 99.1 109.4-128.4 -2.8 -0.3 0.2 17.9 908 920 A Q - 0 0 84 1,-0.1 -3,-0.2 4,-0.1 66,-0.1 -0.674 69.3-119.1 -83.5 128.1 -0.3 4.0 17.5 909 921 A S > - 0 0 13 -2,-0.4 4,-4.9 1,-0.2 -2,-0.1 -0.169 18.3-119.5 -57.5 153.2 -1.4 5.3 14.1 910 922 A L T 4 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.718 122.4 60.3 -66.0 -18.3 1.1 7.3 12.1 911 923 A M T 4 S+ 0 0 156 3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.948 116.0 28.1 -64.2 -54.0 -1.8 9.7 12.6 912 924 A R T 4 S+ 0 0 124 1,-0.3 -2,-0.2 2,-0.0 -1,-0.1 0.819 128.5 45.7 -79.4 -36.2 -1.4 9.6 16.4 913 925 A M S < S- 0 0 52 -4,-4.9 -1,-0.3 -8,-0.0 -8,-0.1 -0.823 90.9-146.0-112.6 89.1 2.3 8.7 16.3 914 926 A P > - 0 0 29 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.201 14.2-128.6 -60.4 140.8 3.8 11.2 13.8 915 927 A P T 3 S+ 0 0 33 0, 0.0 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-1,-0.2 0.660 104.5 52.3 -98.4 -25.1 10.5 5.5 -10.0 956 968 A L H > S+ 0 0 101 -4,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.811 102.7 57.6 -80.5 -32.6 6.8 6.3 -9.8 957 969 A M H X S+ 0 0 42 -4,-0.9 4,-2.1 2,-0.2 3,-0.4 0.903 105.3 53.0 -63.2 -40.8 5.6 2.7 -10.3 958 970 A V H > S+ 0 0 0 -4,-0.3 4,-3.0 1,-0.2 3,-0.4 0.968 109.4 46.8 -55.2 -55.6 7.6 1.8 -7.2 959 971 A L H < S+ 0 0 92 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.635 111.4 53.9 -65.8 -13.9 5.9 4.5 -5.2 960 972 A K H < S+ 0 0 148 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.829 119.8 30.9 -83.4 -36.7 2.6 3.3 -6.6 961 973 A I H < S+ 0 0 42 -4,-2.1 -2,-0.2 -3,-0.4 -3,-0.2 0.629 124.0 47.8 -97.0 -16.8 3.2 -0.3 -5.5 962 974 A S S >< S+ 0 0 0 -4,-3.0 3,-1.8 -5,-0.2 4,-0.2 0.956 101.4 55.2 -86.0 -66.4 5.3 0.5 -2.4 963 975 A L T >> S+ 0 0 106 -4,-0.4 3,-2.1 1,-0.3 4,-0.5 0.742 87.5 78.8 -40.7 -42.4 3.5 3.2 -0.4 964 976 A P H 3> S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.535 79.3 74.2 -51.4 -6.7 0.2 1.2 -0.1 965 977 A V H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 5,-0.2 0.863 86.1 59.6 -73.9 -37.7 1.8 -0.8 2.7 966 978 A I H <> S+ 0 0 40 -3,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.739 108.0 48.9 -60.9 -22.3 1.5 2.1 5.2 967 979 A G H X S+ 0 0 40 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.889 108.9 49.1 -81.7 -45.1 -2.2 1.8 4.5 968 980 A L H X S+ 0 0 54 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.839 112.8 51.5 -61.7 -32.9 -2.4 -2.0 5.1 969 981 A D H >X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-0.9 0.965 104.2 53.2 -69.3 -54.0 -0.5 -1.5 8.3 970 982 A E H 3X S+ 0 0 34 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.797 103.4 58.6 -52.9 -35.9 -2.7 1.3 9.8 971 983 A I H 3X S+ 0 0 105 -4,-1.4 4,-0.7 1,-0.2 -1,-0.3 0.897 106.4 47.9 -62.3 -40.8 -5.8 -0.9 9.4 972 984 A L H S+ 0 0 74 -4,-0.7 4,-3.7 2,-0.2 5,-1.0 0.866 109.5 46.4 -91.6 -51.3 -8.3 -3.1 14.8 976 988 A A T <5S+ 0 0 8 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.647 117.2 53.1 -60.9 -12.3 -5.9 -4.5 17.4 977 989 A R T 45S+ 0 0 38 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.775 124.2 18.9 -89.8 -32.6 -6.8 -1.2 18.9 978 990 A N T 45S+ 0 0 98 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.2 0.534 132.3 28.8-128.8 -5.2 -10.6 -1.6 18.7 979 991 A Y T <5S+ 0 0 218 -4,-3.7 -3,-0.2 1,-0.0 -4,-0.1 0.288 117.0 54.9-132.2 9.2 -11.7 -5.2 18.3 980 992 A L S