==== 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 10-MAR-07 2JOG . COMPND 2 MOLECULE: CALMODULIN-DEPENDENT CALCINEURIN A SUBUNIT ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TAKEUCHI,M.H.ROEHRL,Z.Y.SUN,G.WAGNER . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.0 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 . 2 0.6 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 . 25 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 24.8 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 1 1 1 1 1 1 0 3 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 2 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 21 A V 0 0 183 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.3 18.2 -20.9 12.5 2 22 A P - 0 0 101 0, 0.0 30,-0.0 0, 0.0 31,-0.0 -0.309 360.0-133.8 -69.8 153.1 15.2 -22.2 10.7 3 23 A F - 0 0 169 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.910 18.8-113.9-114.4 137.4 15.4 -23.7 7.2 4 24 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.456 34.2-113.8 -69.7 132.4 13.1 -22.9 4.2 5 25 A P - 0 0 41 0, 0.0 30,-0.6 0, 0.0 27,-0.0 -0.487 15.2-155.8 -69.8 128.6 10.9 -25.8 3.0 6 26 A S + 0 0 101 -2,-0.3 2,-0.5 28,-0.1 28,-0.0 0.755 69.2 99.2 -74.9 -25.1 11.8 -27.0 -0.5 7 27 A H - 0 0 110 1,-0.1 2,-0.4 27,-0.0 28,-0.2 -0.513 69.3-146.3 -68.0 116.1 8.3 -28.4 -0.9 8 28 A R - 0 0 129 -2,-0.5 28,-0.3 26,-0.1 -2,-0.1 -0.715 18.4-114.2 -88.5 131.3 6.2 -25.9 -2.9 9 29 A L B -a 36 0A 10 26,-1.3 28,-2.0 -2,-0.4 31,-0.2 -0.360 31.6-140.1 -63.8 138.2 2.5 -25.7 -2.0 10 30 A T >> - 0 0 59 26,-0.2 4,-1.9 1,-0.1 3,-0.8 -0.516 22.9-105.3 -97.0 166.9 0.2 -26.8 -4.8 11 31 A A H >> S+ 0 0 18 1,-0.3 4,-3.9 2,-0.2 3,-0.7 0.949 123.4 49.0 -54.1 -54.6 -3.1 -25.2 -5.9 12 32 A K H 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.685 111.8 53.5 -60.3 -16.6 -5.2 -28.0 -4.3 13 33 A E H <4 S+ 0 0 65 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.793 117.1 33.8 -87.5 -32.4 -3.1 -27.3 -1.2 14 34 A V H << S+ 0 0 2 -4,-1.9 8,-2.9 -3,-0.7 2,-0.4 0.820 121.4 48.8 -90.5 -37.0 -3.8 -23.6 -1.1 15 35 A F B < S-B 21 0B 6 -4,-3.9 -1,-0.2 6,-0.3 2,-0.0 -0.900 77.0-144.2-110.0 133.5 -7.3 -23.7 -2.4 16 36 A D > - 0 0 38 4,-2.4 3,-2.6 -2,-0.4 -3,-0.1 -0.202 40.0 -87.0 -84.0 179.1 -10.0 -26.1 -1.1 17 37 A N T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.805 130.2 60.0 -56.9 -29.7 -12.7 -27.8 -3.0 18 38 A D T 3 S- 0 0 123 2,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.443 118.3-115.4 -78.5 0.9 -14.8 -24.7 -2.4 19 39 A G S < S+ 0 0 39 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.610 72.8 137.5 74.9 10.9 -12.2 -22.8 -4.3 20 40 A K - 0 0 117 1,-0.0 -4,-2.4 2,-0.0 -1,-0.3 -0.786 54.2-122.6 -95.6 130.7 -11.4 -20.8 -1.1 21 41 A P B -B 15 0B 12 0, 0.0 2,-1.1 0, 0.0 -6,-0.3 -0.374 15.0-128.9 -69.8 145.8 -7.7 -20.2 -0.2 22 42 A R >> + 0 0 83 -8,-2.9 4,-2.4 1,-0.2 3,-0.8 -0.686 26.1 178.5 -98.6 81.2 -6.4 -21.4 3.1 23 43 A V H 3> S+ 0 0 32 -2,-1.1 4,-2.7 1,-0.3 5,-0.2 0.779 82.3 59.8 -51.3 -27.6 -4.8 -18.3 4.6 24 44 A D H 3> S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.923 107.4 42.1 -68.1 -45.8 -4.0 -20.5 7.6 25 45 A I H <> S+ 0 0 72 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.886 118.4 46.3 -68.7 -39.9 -1.9 -23.0 5.6 26 46 A L H X S+ 0 0 5 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.943 110.1 52.6 -67.9 -49.2 -0.2 -20.3 3.6 27 47 A K H X S+ 0 0 61 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.7 45.9 -51.6 -53.9 0.6 -18.1 6.6 28 48 A A H X S+ 0 0 33 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.918 115.8 46.8 -56.6 -46.4 2.2 -21.0 8.5 29 49 A H H ><>S+ 0 0 17 -4,-1.9 3,-1.7 1,-0.2 5,-1.7 0.962 111.4 49.5 -61.2 -54.3 4.2 -22.0 5.3 30 50 A L H ><5S+ 0 0 14 -4,-3.6 3,-2.2 1,-0.3 -1,-0.2 0.864 104.4 60.9 -53.4 -38.4 5.3 -18.4 4.5 31 51 A M H 3<5S+ 0 0 108 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.786 103.8 50.3 -60.5 -27.2 6.4 -18.1 8.1 32 52 A K T <<5S- 0 0 118 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.242 125.8-103.8 -94.6 12.0 8.8 -21.0 7.5 33 53 A E T < 5 + 0 0 59 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.863 67.3 162.2 68.9 36.6 10.1 -19.3 4.4 34 54 A G < - 0 0 2 -5,-1.7 2,-0.3 -8,-0.2 -1,-0.2 -0.634 25.5-149.6 -91.6 148.7 8.1 -21.6 2.1 35 55 A R - 0 0 114 -30,-0.6 -26,-1.3 -2,-0.3 2,-0.2 -0.788 7.9-131.6-115.1 158.9 7.4 -20.9 -1.5 36 56 A L B -a 9 0A 5 -2,-0.3 2,-0.2 -28,-0.3 -26,-0.2 -0.500 36.7 -80.0-102.3 173.6 4.4 -21.9 -3.8 37 57 A E >> - 0 0 59 -28,-2.0 4,-2.7 -2,-0.2 3,-0.7 -0.515 35.7-121.1 -75.8 139.4 4.3 -23.4 -7.2 38 58 A E H 3> S+ 0 0 53 1,-0.3 4,-1.8 -2,-0.2 -1,-0.1 0.821 116.8 53.3 -46.6 -34.4 4.8 -21.0 -10.2 39 59 A S H 3> S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.902 109.9 45.6 -69.6 -42.4 1.3 -22.2 -11.3 40 60 A V H <> S+ 0 0 2 -3,-0.7 4,-2.4 -31,-0.2 -2,-0.2 0.937 111.9 50.7 -66.3 -48.3 -0.3 -21.3 -8.0 41 61 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.902 110.6 49.7 -56.4 -43.9 1.4 -17.9 -7.7 42 62 A L H X S+ 0 0 29 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.856 109.4 52.6 -64.3 -35.7 0.3 -17.0 -11.2 43 63 A R H X S+ 0 0 69 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.914 109.9 47.4 -66.7 -44.0 -3.3 -18.0 -10.3 44 64 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 115.6 44.6 -63.3 -47.9 -3.4 -15.9 -7.2 45 65 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.954 117.1 44.0 -61.7 -52.3 -2.0 -12.8 -9.0 46 66 A T H X S+ 0 0 81 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.865 113.8 52.1 -61.4 -37.1 -4.2 -13.2 -12.1 47 67 A E H X S+ 0 0 56 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.863 110.7 47.6 -67.9 -36.7 -7.2 -13.9 -9.8 48 68 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.872 107.7 54.7 -72.6 -37.9 -6.6 -10.8 -7.8 49 69 A A H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.888 103.5 56.3 -62.5 -40.5 -6.2 -8.6 -10.9 50 70 A S H X S+ 0 0 41 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.896 110.1 45.3 -58.9 -41.9 -9.5 -9.6 -12.2 51 71 A I H >X S+ 0 0 41 -4,-1.1 3,-0.9 2,-0.2 4,-0.6 0.934 114.4 46.8 -67.9 -47.6 -11.2 -8.5 -9.0 52 72 A L H >< S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.877 103.1 64.0 -62.3 -38.6 -9.4 -5.2 -8.8 53 73 A R H 3< S+ 0 0 125 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.791 100.2 53.9 -56.0 -28.2 -10.1 -4.6 -12.5 54 74 A Q H << S+ 0 0 160 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.710 95.6 88.4 -79.1 -21.6 -13.8 -4.5 -11.6 55 75 A E S << S- 0 0 24 -3,-1.5 2,-0.2 -4,-0.6 -3,-0.0 -0.270 79.5-116.6 -74.0 163.4 -13.1 -1.8 -8.9 56 76 A K - 0 0 99 1,-0.1 3,-0.3 112,-0.1 112,-0.2 -0.650 23.0-109.5-101.1 159.1 -13.1 1.9 -9.6 57 77 A N S S+ 0 0 2 1,-0.3 111,-2.7 -2,-0.2 110,-1.4 0.915 114.4 32.4 -49.8 -49.3 -10.2 4.4 -9.4 58 78 A L E S-c 168 0C 7 109,-0.2 111,-0.3 108,-0.1 -1,-0.3 -0.871 83.8-156.6-116.8 98.7 -11.8 6.0 -6.4 59 79 A L E -c 169 0C 24 109,-1.9 111,-5.1 -2,-0.6 2,-0.4 -0.427 1.3-158.0 -72.8 146.0 -13.7 3.5 -4.2 60 80 A D E +c 170 0C 51 109,-0.2 2,-0.4 -2,-0.1 111,-0.2 -0.858 25.0 153.5-130.8 97.8 -16.5 4.9 -1.9 61 81 A I E -c 171 0C 64 109,-1.0 111,-2.1 -2,-0.4 2,-1.0 -0.987 34.0-147.2-128.7 134.1 -17.4 2.7 1.0 62 82 A D + 0 0 102 -2,-0.4 109,-0.1 109,-0.2 -2,-0.0 -0.767 57.2 100.5-101.3 89.9 -18.9 3.7 4.4 63 83 A A S S- 0 0 21 -2,-1.0 2,-0.5 241,-0.0 241,-0.1 -0.986 77.9 -81.1-164.3 158.5 -17.5 1.3 6.9 64 84 A P + 0 0 55 0, 0.0 28,-0.3 0, 0.0 2,-0.3 -0.528 57.2 162.0 -69.6 115.9 -14.8 0.9 9.7 65 85 A V E -H 304 0D 11 239,-0.8 239,-2.1 -2,-0.5 2,-0.6 -0.960 36.9-125.9-136.7 154.1 -11.5 0.1 8.1 66 86 A T E -Hi 303 93D 4 26,-1.8 28,-2.5 -2,-0.3 2,-0.3 -0.888 22.7-145.5-104.9 117.0 -7.8 0.2 9.2 67 87 A V E -Hi 302 94D 4 235,-2.6 235,-1.9 -2,-0.6 2,-0.3 -0.610 14.4-159.5 -81.9 136.1 -5.5 2.1 6.9 68 88 A C E -Hi 301 95D 0 26,-3.2 28,-1.2 -2,-0.3 233,-0.1 -0.882 6.2-137.3-117.3 148.4 -1.9 0.8 6.5 69 89 A G - 0 0 0 231,-0.6 217,-0.2 -2,-0.3 27,-0.2 -0.046 52.9 -39.3 -87.9-166.3 1.2 2.6 5.4 70 90 A D - 0 0 3 215,-0.5 217,-0.4 1,-0.1 -1,-0.2 -0.220 47.1-174.2 -56.1 143.2 4.0 1.5 3.1 71 91 A I > - 0 0 2 27,-3.0 3,-0.5 26,-0.5 28,-0.2 0.765 12.3-157.8-107.5 -42.9 5.1 -2.2 3.5 72 92 A H T 3 S- 0 0 3 26,-2.0 31,-0.5 1,-0.2 33,-0.3 0.962 72.3 -59.1 60.3 54.5 8.1 -2.4 1.2 73 93 A G T 3 S+ 0 0 0 26,-1.7 2,-1.6 1,-0.2 32,-0.6 0.773 93.8 151.9 46.3 28.2 7.8 -6.2 0.8 74 94 A Q X> + 0 0 17 -3,-0.5 4,-1.4 1,-0.2 3,-1.2 -0.463 4.9 157.6 -87.9 64.6 8.2 -6.3 4.5 75 95 A F H >> S+ 0 0 7 -2,-1.6 4,-2.0 1,-0.3 3,-0.6 0.904 71.8 59.2 -53.9 -45.0 6.3 -9.6 5.0 76 96 A F H 3> S+ 0 0 50 -3,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.798 111.9 41.3 -55.3 -29.2 8.0 -10.2 8.3 77 97 A D H <> S+ 0 0 11 -3,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.643 107.9 61.5 -92.1 -18.6 6.5 -6.9 9.4 78 98 A L H - 0 0 62 -4,-0.1 3,-1.3 1,-0.1 4,-0.5 -0.428 40.2-140.4 -68.4 135.3 -7.1 -11.0 12.2 88 108 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.630 93.9 80.9 -69.7 -13.5 -8.2 -10.1 8.7 89 109 A A T 3 S+ 0 0 54 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.776 118.0 9.0 -63.7 -26.4 -10.8 -12.9 8.9 90 110 A N S < S+ 0 0 134 -3,-1.3 2,-0.4 1,-0.1 -1,-0.2 0.182 120.5 81.7-137.7 12.5 -13.0 -10.5 10.8 91 111 A T S S- 0 0 26 -4,-0.5 2,-0.4 -5,-0.1 -26,-0.1 -0.986 70.3-133.7-127.8 130.8 -11.2 -7.2 10.4 92 112 A R - 0 0 46 -2,-0.4 -26,-1.8 -28,-0.3 2,-0.3 -0.680 27.3-172.7 -84.4 128.4 -11.2 -4.9 7.5 93 113 A Y E -ij 66 124D 0 30,-1.8 32,-2.5 -2,-0.4 2,-0.3 -0.836 11.5-162.7-120.1 158.2 -7.8 -3.6 6.3 94 114 A L E -ij 67 125D 8 -28,-2.5 -26,-3.2 -2,-0.3 2,-0.3 -0.936 6.0-156.1-145.5 118.4 -6.8 -1.0 3.7 95 115 A F E -ij 68 126D 0 30,-2.5 32,-1.3 -2,-0.3 -26,-0.1 -0.719 11.6-152.4 -95.4 143.4 -3.3 -0.7 2.1 96 116 A L - 0 0 0 -28,-1.2 2,-0.2 1,-0.4 164,-0.2 0.322 53.2-107.8 -93.4 6.7 -2.1 2.6 0.7 97 117 A G S S+ 0 0 0 -28,-0.2 -26,-0.5 32,-0.1 -1,-0.4 -0.639 80.6 112.5 103.1-162.3 0.2 0.8 -1.7 98 118 A D + 0 0 0 -2,-0.2 -27,-3.0 -28,-0.2 -26,-2.0 0.978 33.0 148.3 52.5 68.1 4.0 0.3 -1.8 99 119 A Y + 0 0 0 -28,-0.2 -26,-1.7 -27,-0.2 2,-0.2 0.537 57.7 51.6-105.2 -12.8 4.0 -3.4 -1.1 100 120 A V S S+ 0 0 0 -28,-0.2 -28,-0.2 -27,-0.1 -29,-0.1 -0.628 79.8 50.7-117.4 177.1 7.2 -4.1 -3.1 101 121 A D S S+ 0 0 0 2,-0.3 2,-2.8 -2,-0.2 4,-0.1 0.237 92.5 43.0 75.3 156.4 10.7 -2.8 -3.4 102 122 A R S S+ 0 0 93 2,-0.1 2,-0.2 -29,-0.1 -1,-0.1 -0.386 101.9 75.5 73.8 -67.5 13.1 -2.2 -0.5 103 123 A G S > S- 0 0 13 -2,-2.8 3,-0.7 -31,-0.5 -2,-0.3 -0.525 77.2-138.8 -79.3 143.4 12.2 -5.5 1.2 104 124 A Y T 3 S+ 0 0 31 1,-0.2 -1,-0.1 -2,-0.2 -31,-0.1 0.150 98.9 63.9 -85.2 20.1 13.6 -8.8 -0.3 105 125 A F T 3> + 0 0 18 -32,-0.6 4,-1.4 -33,-0.3 -30,-0.3 -0.121 56.4 125.3-133.8 36.2 10.2 -10.3 0.4 106 126 A S H <> S+ 0 0 0 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.874 73.6 57.6 -63.6 -38.2 7.9 -8.3 -1.9 107 127 A I H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 104.9 50.7 -59.8 -40.7 6.7 -11.5 -3.6 108 128 A E H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.846 111.7 48.4 -66.2 -34.4 5.5 -12.8 -0.3 109 129 A C H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.931 114.1 43.9 -71.5 -47.5 3.6 -9.6 0.4 110 130 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.914 116.6 47.2 -64.0 -44.3 1.9 -9.4 -3.0 111 131 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.938 117.5 41.5 -63.1 -48.7 1.1 -13.1 -2.9 112 132 A Y H X S+ 0 0 12 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.878 117.4 48.5 -67.0 -38.6 -0.3 -13.0 0.6 113 133 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.886 113.2 47.1 -68.9 -39.9 -2.0 -9.7 -0.1 114 134 A W H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.912 112.8 48.5 -68.0 -43.9 -3.6 -10.9 -3.3 115 135 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.885 111.7 49.7 -63.7 -39.8 -4.8 -14.2 -1.7 116 136 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.820 109.2 52.9 -68.6 -31.5 -6.3 -12.3 1.3 117 137 A K H < S+ 0 0 1 -4,-1.5 7,-0.2 2,-0.2 -2,-0.2 0.876 109.2 47.9 -71.3 -38.9 -8.1 -9.9 -1.2 118 138 A I H < S+ 0 0 31 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.839 115.6 45.2 -70.5 -33.9 -9.6 -12.8 -3.1 119 139 A L H < S+ 0 0 34 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 133.8 16.8 -76.2 -41.7 -10.8 -14.4 0.1 120 140 A Y >X + 0 0 65 -4,-2.3 4,-2.5 -5,-0.2 3,-1.8 -0.490 70.0 152.4-131.9 63.2 -12.1 -11.2 1.7 121 141 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.513 77.9 56.5 -69.7 -3.8 -12.5 -8.7 -1.2 122 142 A K T 34 S+ 0 0 164 -3,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.354 119.1 28.0-107.5 1.6 -15.2 -7.1 0.9 123 143 A T T <4 S+ 0 0 36 -3,-1.8 -30,-1.8 1,-0.2 2,-0.5 0.460 113.3 65.1-134.2 -17.5 -13.0 -6.5 3.9 124 144 A L E < -j 93 0D 2 -4,-2.5 2,-0.4 -32,-0.2 -1,-0.2 -0.948 60.1-178.5-118.0 116.4 -9.6 -6.2 2.4 125 145 A F E -j 94 0D 17 -32,-2.5 -30,-2.5 -2,-0.5 2,-0.4 -0.921 6.5-165.8-116.3 138.6 -8.8 -3.3 0.1 126 146 A L E -j 95 0D 1 -2,-0.4 2,-0.2 -32,-0.2 -30,-0.1 -0.984 4.3-161.6-127.1 127.5 -5.4 -2.6 -1.6 127 147 A L - 0 0 1 -32,-1.3 2,-0.3 -2,-0.4 40,-0.2 -0.692 24.1-108.4-104.8 158.5 -4.4 0.6 -3.3 128 148 A R - 0 0 0 38,-3.2 2,-0.2 -2,-0.2 51,-0.2 -0.629 34.0-159.8 -86.8 142.5 -1.7 1.3 -5.9 129 149 A G > - 0 0 0 -2,-0.3 3,-2.1 50,-0.1 -32,-0.1 -0.712 37.4 -98.3-118.1 170.1 1.4 3.2 -4.9 130 150 A N T 3 S+ 0 0 3 81,-0.5 6,-0.1 1,-0.3 82,-0.1 0.708 126.6 55.5 -57.8 -18.8 4.2 5.1 -6.7 131 151 A H T 3 S+ 0 0 9 1,-0.2 2,-2.6 80,-0.1 -1,-0.3 0.643 80.8 93.5 -87.7 -17.2 6.2 1.8 -6.4 132 152 A E S < S+ 0 0 0 -3,-2.1 2,-0.3 4,-0.1 -1,-0.2 -0.406 71.3 94.4 -76.4 67.1 3.5 -0.1 -8.1 133 153 A C S > S- 0 0 0 -2,-2.6 4,-0.8 1,-0.1 67,-0.0 -0.875 76.1-122.2-146.4 177.2 5.1 0.2 -11.6 134 154 A R H > S+ 0 0 57 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.882 106.6 54.2 -91.5 -48.9 7.4 -1.5 -14.0 135 155 A H H > S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.887 115.2 42.7 -52.8 -42.4 10.1 1.2 -14.4 136 156 A L H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.924 111.5 53.0 -71.1 -46.0 10.5 1.2 -10.7 137 157 A T H < S+ 0 0 0 -4,-0.8 6,-2.0 1,-0.2 5,-0.3 0.819 107.9 53.6 -59.1 -31.4 10.4 -2.5 -10.3 138 158 A E H < S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.5 42.7 -72.1 -36.3 13.1 -2.8 -12.9 139 159 A Y H < S+ 0 0 199 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.895 111.9 61.3 -76.4 -42.4 15.4 -0.4 -11.0 140 160 A F S < S- 0 0 47 -4,-3.0 4,-0.4 -5,-0.1 3,-0.2 0.054 102.5 -97.5 -72.1-172.3 14.7 -1.9 -7.6 141 161 A T S > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.1 -4,-0.1 0.217 101.7 93.7 -94.1 13.9 15.4 -5.5 -6.5 142 162 A F H > S+ 0 0 0 -5,-0.3 4,-2.4 -6,-0.2 5,-0.2 0.971 85.4 43.5 -69.3 -56.2 11.9 -6.5 -7.2 143 163 A K H > S+ 0 0 46 -6,-2.0 4,-1.9 1,-0.2 5,-0.2 0.939 115.4 49.0 -54.9 -51.5 12.4 -7.7 -10.8 144 164 A Q H > S+ 0 0 67 -4,-0.4 4,-2.1 -7,-0.3 -1,-0.2 0.851 109.9 54.1 -57.8 -35.7 15.6 -9.6 -9.8 145 165 A E H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 5,-0.5 0.944 106.9 48.4 -64.6 -49.6 13.8 -11.1 -6.9 146 166 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.840 115.5 46.3 -59.9 -33.8 10.9 -12.5 -9.0 147 167 A K H < S+ 0 0 114 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.811 115.2 46.0 -78.3 -31.7 13.6 -13.9 -11.4 148 168 A I H < S+ 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.867 125.8 29.9 -77.9 -38.7 15.7 -15.3 -8.6 149 169 A K H < S- 0 0 38 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.889 144.2 -17.1 -86.3 -45.8 12.7 -16.9 -6.7 150 170 A Y S < S- 0 0 30 -4,-2.0 2,-0.3 -5,-0.5 -3,-0.1 0.318 90.0 -85.4-123.6-106.5 10.5 -17.6 -9.7 151 171 A S >> - 0 0 33 -5,-0.1 4,-1.4 -113,-0.1 3,-0.6 -0.939 41.5 -80.7-162.5-179.4 10.8 -16.1 -13.2 152 172 A E H 3> S+ 0 0 110 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.740 117.8 71.3 -65.9 -22.6 9.8 -13.2 -15.5 153 173 A R H 3> S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 101.3 41.5 -59.3 -47.4 6.4 -14.8 -15.9 154 174 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.887 113.3 54.2 -68.2 -40.0 5.4 -14.0 -12.4 155 175 A Y H X S+ 0 0 9 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.946 108.9 47.0 -59.4 -51.2 6.9 -10.5 -12.6 156 176 A D H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.886 109.7 55.3 -58.5 -40.5 5.0 -9.6 -15.7 157 177 A A H X S+ 0 0 20 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.917 107.5 48.6 -59.4 -45.5 1.8 -10.9 -14.1 158 178 A C H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.900 109.1 53.8 -62.2 -42.2 2.2 -8.7 -11.1 159 179 A M H X S+ 0 0 2 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.940 111.1 44.2 -58.1 -50.2 2.9 -5.6 -13.3 160 180 A D H < S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 115.6 50.0 -64.5 -32.1 -0.3 -6.2 -15.3 161 181 A A H >< S+ 0 0 2 -4,-1.9 3,-2.0 -5,-0.2 4,-0.3 0.891 103.8 57.2 -73.5 -41.3 -2.2 -6.8 -12.0 162 182 A F H >< S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.3 -1,-0.2 0.838 97.2 63.5 -58.5 -34.0 -0.9 -3.7 -10.3 163 183 A D T 3< S+ 0 0 16 -4,-1.4 36,-0.3 1,-0.3 -1,-0.3 0.625 98.4 57.2 -66.2 -11.9 -2.4 -1.6 -13.1 164 184 A C T < S+ 0 0 7 -3,-2.0 -1,-0.3 34,-0.1 -109,-0.2 0.517 84.5 108.5 -95.1 -8.5 -5.7 -2.9 -11.9 165 185 A L S < S- 0 0 0 -3,-1.8 -38,-0.2 -4,-0.3 -116,-0.0 -0.368 76.6-103.8 -70.5 148.3 -5.2 -1.5 -8.4 166 186 A P - 0 0 0 0, 0.0 -38,-3.2 0, 0.0 -109,-0.2 -0.263 15.1-146.8 -69.7 157.6 -7.2 1.5 -7.3 167 187 A L S S- 0 0 2 -110,-1.4 12,-0.4 1,-0.3 2,-0.3 0.828 74.3 -10.1 -93.1 -39.7 -5.8 5.0 -7.1 168 188 A A E -c 58 0C 0 -111,-2.7 -109,-1.9 -112,-0.2 2,-0.3 -0.919 57.2-145.2-151.0 174.6 -7.8 6.3 -4.1 169 189 A A E -cD 59 177C 11 8,-1.6 8,-3.4 -111,-0.3 2,-0.9 -0.981 11.9-139.8-151.8 136.4 -10.7 5.5 -1.8 170 190 A L E > -cD 60 176C 5 -111,-5.1 -109,-1.0 -2,-0.3 3,-0.9 -0.812 20.1-160.2-100.5 98.3 -13.3 7.6 -0.1 171 191 A M E >> S-cD 61 175C 10 4,-1.6 4,-2.3 -2,-0.9 3,-1.6 -0.678 79.4 -13.8 -81.4 116.5 -13.9 6.2 3.4 172 192 A N T 34 S- 0 0 30 -111,-2.1 -1,-0.3 -2,-0.6 -110,-0.2 0.744 108.9 -87.3 64.4 22.9 -17.3 7.3 4.8 173 193 A Q T <4 S+ 0 0 121 -3,-0.9 -1,-0.3 -112,-0.3 -2,-0.1 0.760 126.7 76.9 48.0 25.6 -17.3 9.9 2.0 174 194 A Q T <4 S+ 0 0 71 -3,-1.6 81,-3.2 1,-0.3 82,-0.8 0.604 82.9 55.3-128.0 -41.7 -15.4 12.0 4.5 175 195 A F E < -De 171 256C 2 -4,-2.3 -4,-1.6 80,-0.2 2,-0.6 -0.806 69.3-143.9-102.6 141.0 -11.8 10.8 4.5 176 196 A L E -De 170 257C 6 80,-2.0 82,-1.2 -2,-0.4 2,-0.6 -0.905 10.2-155.7-107.9 115.1 -9.7 10.5 1.3 177 197 A C E +De 169 258C 0 -8,-3.4 -8,-1.6 -2,-0.6 2,-0.3 -0.790 31.9 141.5 -92.8 121.0 -7.3 7.5 1.2 178 198 A V - 0 0 1 80,-2.0 82,-0.5 -2,-0.6 -10,-0.1 -0.885 51.2-128.9-146.9 176.7 -4.3 8.0 -1.1 179 199 A H S S+ 0 0 0 -12,-0.4 81,-0.6 -2,-0.3 32,-0.2 0.853 101.8 10.3 -97.6 -49.7 -0.6 7.3 -1.4 180 200 A G S S- 0 0 0 30,-1.8 2,-0.3 1,-0.3 31,-0.2 0.904 101.2-119.7 -95.3 -63.4 0.9 10.7 -2.2 181 201 A G - 0 0 2 29,-1.6 -1,-0.3 33,-0.1 -2,-0.2 -0.982 50.6 -10.1 158.3-144.9 -1.9 13.3 -1.8 182 202 A L - 0 0 12 -2,-0.3 32,-0.1 -4,-0.1 5,-0.1 -0.244 55.5-140.1 -82.2 174.3 -3.8 15.9 -3.7 183 203 A S B > -M 186 0E 2 3,-0.6 3,-1.0 1,-0.1 24,-0.0 -0.984 16.5-134.2-139.7 149.4 -3.1 17.1 -7.2 184 204 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.806 110.8 50.4 -69.8 -30.8 -3.1 20.5 -9.1 185 205 A E T 3 S+ 0 0 104 1,-0.2 2,-0.4 20,-0.1 -3,-0.0 0.303 105.3 68.1 -90.0 8.4 -4.9 19.0 -12.0 186 206 A I B < +M 183 0E 3 -3,-1.0 -3,-0.6 1,-0.1 -1,-0.2 -0.867 42.5 146.5-133.7 100.5 -7.5 17.5 -9.7 187 207 A N S S+ 0 0 87 -2,-0.4 2,-0.3 -5,-0.1 -1,-0.1 0.387 71.1 38.7-109.8 -1.3 -9.8 19.8 -7.8 188 208 A T S >> S- 0 0 46 1,-0.1 3,-0.7 64,-0.0 4,-0.6 -0.969 82.1-113.5-146.3 160.0 -12.8 17.4 -7.8 189 209 A L H >> S+ 0 0 35 -2,-0.3 4,-1.8 1,-0.2 3,-0.9 0.826 115.1 62.7 -62.5 -31.9 -13.6 13.7 -7.4 190 210 A D H 3> S+ 0 0 84 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.842 92.6 63.8 -62.3 -34.1 -14.7 13.7 -11.1 191 211 A D H <4 S+ 0 0 48 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.815 106.3 44.7 -60.0 -30.9 -11.2 14.6 -12.1 192 212 A I H X< S+ 0 0 7 -3,-0.9 3,-1.7 -4,-0.6 -1,-0.2 0.881 108.4 54.8 -80.4 -41.7 -10.0 11.3 -10.7 193 213 A R H 3< S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.3 -136,-0.2 0.857 101.8 59.2 -60.0 -36.1 -12.8 9.2 -12.2 194 214 A K T 3< S+ 0 0 169 -4,-2.1 -1,-0.3 -5,-0.1 2,-0.2 0.227 91.3 104.4 -78.4 16.3 -11.9 10.5 -15.6 195 215 A L S < S- 0 0 34 -3,-1.7 2,-0.7 -5,-0.1 -138,-0.2 -0.666 74.8-121.5 -99.1 155.2 -8.4 9.0 -15.0 196 216 A D + 0 0 72 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.855 30.9 169.9-100.4 112.2 -7.0 5.8 -16.5 197 217 A R + 0 0 7 -2,-0.7 2,-2.9 1,-0.2 -1,-0.2 0.854 63.8 80.3 -85.9 -40.0 -5.9 3.3 -13.9 198 218 A F S S+ 0 0 102 -34,-0.1 2,-0.3 -145,-0.1 -1,-0.2 -0.380 89.9 62.0 -69.4 71.6 -5.3 0.4 -16.4 199 219 A K S S- 0 0 95 -2,-2.9 0, 0.0 -36,-0.3 0, 0.0 -0.968 91.2 -74.9-178.8 170.3 -1.9 1.7 -17.4 200 220 A E - 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