==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/CALCIUM BINDING PROTEIN 28-JAN-10 3LL8 . COMPND 2 MOLECULE: AKAP79 PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.LI,P.G.HOGAN . 1035 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 6.7 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 . 4 0.4 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 . 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 . 72 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 6 1 2 2 7 3 1 3 5 2 3 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 2 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 PARALLEL BRIDGES PER LADDER . 6 2 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 3 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 4 E E 0 0 188 0, 0.0 2,-0.5 0, 0.0 325,-0.1 0.000 360.0 360.0 360.0 11.3 -25.8 -24.4 28.5 2 5 E P - 0 0 91 0, 0.0 295,-0.1 0, 0.0 2,-0.1 -0.679 360.0-123.6 -70.6 123.6 -22.9 -24.3 26.0 3 6 E I - 0 0 20 -2,-0.5 2,-0.3 1,-0.1 324,-0.2 -0.404 22.4-122.9 -73.3 147.7 -24.5 -22.4 23.1 4 7 E A E -a 327 0A 52 322,-1.7 324,-2.7 -2,-0.1 2,-0.5 -0.709 11.6-144.5 -93.5 142.5 -24.5 -24.1 19.7 5 8 E I E -a 328 0A 48 -2,-0.3 2,-0.5 322,-0.2 324,-0.2 -0.909 14.9-174.3-105.2 123.3 -23.1 -22.7 16.4 6 9 E I E -a 329 0A 81 322,-2.1 324,-2.5 -2,-0.5 2,-0.5 -0.989 4.5-166.0-117.8 123.9 -24.9 -23.5 13.1 7 10 E I E +a 330 0A 65 -2,-0.5 2,-0.3 322,-0.2 324,-0.2 -0.958 17.3 161.4-114.8 122.2 -23.2 -22.4 9.8 8 11 E T E -a 331 0A 59 322,-1.9 324,-2.2 -2,-0.5 2,-0.3 -0.945 32.6-122.2-134.5 153.4 -25.4 -22.5 6.7 9 12 E D E +a 332 0A 54 -2,-0.3 324,-0.2 322,-0.2 310,-0.0 -0.733 23.5 174.2 -93.9 151.0 -25.1 -20.8 3.2 10 13 E T 0 0 59 322,-2.2 323,-0.2 -2,-0.3 -1,-0.1 0.703 360.0 360.0-116.5 -63.2 -27.7 -18.5 1.7 11 14 E E 0 0 152 321,-0.7 322,-0.0 323,-0.0 324,-0.0 0.389 360.0 360.0 52.8 360.0 -26.1 -17.1 -1.6 12 !* 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 13 14 A T 0 0 151 0, 0.0 450,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 180.0 -30.2 7.9 -29.3 14 15 A D + 0 0 67 0, 0.0 449,-0.0 0, 0.0 0, 0.0 0.261 360.0 146.4 -89.3 14.6 -26.8 6.6 -30.6 15 16 A R - 0 0 17 1,-0.1 3,-0.3 450,-0.1 450,-0.1 -0.277 37.2-154.4 -53.1 127.1 -26.1 4.8 -27.2 16 17 A V S S+ 0 0 61 1,-0.2 2,-1.3 448,-0.1 3,-0.2 0.939 78.3 48.2 -81.0 -50.1 -24.1 1.7 -28.1 17 18 A V > + 0 0 21 1,-0.2 3,-1.2 464,-0.1 -1,-0.2 -0.659 64.6 172.2 -98.3 81.0 -24.6 -0.9 -25.3 18 19 A K T 3 + 0 0 127 -2,-1.3 -1,-0.2 1,-0.3 4,-0.1 0.816 68.6 66.2 -59.6 -37.8 -28.4 -0.6 -25.0 19 20 A A T 3 S+ 0 0 98 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.779 83.6 89.4 -57.7 -27.7 -28.7 -3.5 -22.6 20 21 A V S < S- 0 0 6 -3,-1.2 2,-0.1 1,-0.1 -3,-0.0 -0.588 84.4-123.1 -75.9 122.3 -26.8 -1.5 -19.9 21 22 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.375 19.8-129.3 -72.0 151.0 -29.2 0.6 -17.8 22 23 A F - 0 0 87 -4,-0.1 3,-0.1 -2,-0.1 464,-0.1 -0.787 23.2-115.2-102.1 128.8 -28.6 4.3 -17.7 23 24 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 29,-0.1 -0.332 35.7-105.3 -62.6 149.7 -28.4 6.1 -14.2 24 25 A P - 0 0 37 0, 0.0 30,-0.2 0, 0.0 27,-0.0 -0.541 20.2-157.6 -73.0 144.9 -31.1 8.6 -13.5 25 26 A S + 0 0 96 -2,-0.2 2,-0.2 28,-0.1 474,-0.0 0.673 64.7 102.7 -93.1 -17.1 -30.1 12.3 -13.7 26 27 A H - 0 0 93 1,-0.1 2,-0.5 27,-0.0 28,-0.5 -0.438 67.7-142.8 -64.4 130.2 -33.0 13.4 -11.5 27 28 A R - 0 0 70 -2,-0.2 28,-0.3 26,-0.1 29,-0.1 -0.864 23.6-110.6 -97.9 126.9 -31.7 14.1 -8.0 28 29 A L B -f 55 0B 12 26,-1.7 28,-2.6 -2,-0.5 31,-0.2 -0.260 33.9-142.4 -60.6 133.0 -34.2 13.1 -5.2 29 30 A T > - 0 0 40 26,-0.2 4,-2.1 30,-0.1 3,-0.3 -0.332 26.2 -98.5 -87.5 173.2 -35.7 16.0 -3.3 30 31 A A H > S+ 0 0 39 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.886 122.6 48.2 -59.7 -41.4 -36.5 16.5 0.4 31 32 A K H 4 S+ 0 0 180 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.776 110.5 51.9 -72.8 -26.5 -40.2 15.6 -0.1 32 33 A E H 4 S+ 0 0 72 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.886 119.9 33.7 -75.2 -38.4 -39.4 12.5 -2.2 33 34 A V H < S+ 0 0 1 -4,-2.1 8,-3.3 1,-0.2 2,-0.5 0.885 120.8 44.6 -85.1 -42.2 -37.0 11.2 0.5 34 35 A F B < S-G 40 0C 8 -4,-3.1 -1,-0.2 6,-0.2 5,-0.0 -0.930 74.9-144.8-109.9 122.1 -38.7 12.3 3.8 35 36 A D > - 0 0 62 4,-2.3 3,-2.5 -2,-0.5 -3,-0.1 -0.175 40.2 -91.1 -72.1 172.6 -42.5 12.0 4.3 36 37 A N T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 0.486 125.2 62.0 -74.1 -0.5 -44.4 14.6 6.3 37 38 A D T 3 S- 0 0 97 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.301 118.7-107.7 -97.7 3.4 -43.9 12.7 9.5 38 39 A G S < S+ 0 0 31 -3,-2.5 -2,-0.1 1,-0.3 -4,-0.0 0.475 77.0 133.2 87.7 0.6 -40.1 13.1 9.2 39 40 A K - 0 0 113 1,-0.0 -4,-2.3 99,-0.0 -1,-0.3 -0.718 56.5-122.9 -91.9 131.5 -39.5 9.4 8.3 40 41 A P B -G 34 0C 5 0, 0.0 2,-1.3 0, 0.0 -6,-0.2 -0.461 17.2-126.7 -68.5 145.0 -37.2 8.6 5.4 41 42 A R > - 0 0 66 -8,-3.3 4,-2.3 1,-0.2 3,-0.4 -0.736 31.2-179.2 -90.8 91.8 -38.7 6.5 2.6 42 43 A V H > S+ 0 0 22 -2,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.780 74.9 57.3 -69.7 -26.5 -36.0 3.8 2.7 43 44 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 109.9 44.8 -67.4 -38.5 -37.6 1.7 -0.2 44 45 A I H > S+ 0 0 66 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.944 114.0 49.6 -73.8 -46.3 -37.4 4.7 -2.5 45 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.938 110.7 51.0 -54.8 -48.4 -33.9 5.5 -1.4 46 47 A K H X S+ 0 0 70 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.941 111.8 46.1 -58.4 -49.1 -32.9 1.8 -2.0 47 48 A A H X S+ 0 0 46 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.928 115.5 45.8 -60.9 -46.1 -34.3 1.7 -5.5 48 49 A H H ><>S+ 0 0 15 -4,-2.6 5,-2.2 1,-0.2 3,-0.9 0.933 114.1 47.5 -63.0 -45.9 -32.8 5.1 -6.5 49 50 A L H ><5S+ 0 0 2 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.900 104.8 60.1 -69.1 -37.0 -29.3 4.3 -5.1 50 51 A M H 3<5S+ 0 0 76 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.766 104.6 51.3 -58.9 -22.3 -29.3 0.9 -6.7 51 52 A K T <<5S- 0 0 122 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.356 122.9-106.7 -96.1 6.1 -29.6 2.7 -10.0 52 53 A E T < 5 + 0 0 31 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.790 68.5 155.0 69.6 30.9 -26.6 5.0 -9.2 53 54 A G < - 0 0 0 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.425 31.9-140.2 -77.7 165.4 -28.9 7.9 -8.6 54 55 A R - 0 0 45 -28,-0.5 -26,-1.7 -30,-0.2 2,-0.2 -0.809 6.3-126.2-122.1 159.5 -28.0 10.8 -6.4 55 56 A L B -f 28 0B 0 -2,-0.3 -26,-0.2 -28,-0.3 -28,-0.1 -0.678 41.3 -90.8 -95.6 160.6 -29.8 12.9 -3.8 56 57 A E >> - 0 0 75 -28,-2.6 4,-1.6 -2,-0.2 3,-0.6 -0.458 45.5-116.5 -57.7 148.3 -30.0 16.7 -3.9 57 58 A E H 3> S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 114.4 55.6 -63.1 -39.1 -27.0 17.7 -1.8 58 59 A S H 3> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.795 107.8 52.1 -60.8 -28.7 -29.1 19.4 0.8 59 60 A V H <> S+ 0 0 2 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.900 108.0 49.0 -76.7 -37.6 -31.0 16.1 1.2 60 61 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.954 111.0 52.5 -64.1 -45.6 -27.8 14.1 1.7 61 62 A L H X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.870 106.9 52.3 -54.5 -40.7 -26.8 16.7 4.3 62 63 A R H X S+ 0 0 84 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.930 110.5 46.8 -67.8 -44.5 -30.1 16.3 6.1 63 64 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.936 114.0 48.5 -57.4 -49.6 -29.7 12.5 6.4 64 65 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.935 116.7 40.0 -61.4 -43.7 -26.1 12.8 7.5 65 66 A T H X S+ 0 0 70 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.808 113.8 52.8 -81.4 -27.6 -26.7 15.3 10.2 66 67 A E H X S+ 0 0 60 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.873 111.5 47.7 -74.1 -35.2 -30.0 13.8 11.4 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.905 109.8 53.5 -61.8 -45.9 -28.2 10.4 11.8 68 69 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.847 104.1 54.5 -59.7 -38.8 -25.4 12.2 13.7 69 70 A S H X S+ 0 0 57 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.865 110.9 46.3 -66.9 -33.3 -27.8 13.8 16.2 70 71 A I H >< S+ 0 0 38 -4,-1.2 3,-0.7 2,-0.2 4,-0.5 0.947 114.2 47.8 -68.2 -46.8 -29.2 10.4 17.0 71 72 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.883 104.4 61.1 -58.8 -41.9 -25.6 8.9 17.3 72 73 A R H 3< S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 101.0 53.4 -58.0 -33.3 -24.5 11.8 19.5 73 74 A Q T << S+ 0 0 163 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.580 92.8 94.8 -79.2 -13.0 -27.0 10.9 22.2 74 75 A E S < S- 0 0 25 -3,-1.5 4,-0.1 -4,-0.5 2,-0.1 -0.414 79.5-105.2 -78.8 159.7 -25.9 7.2 22.4 75 76 A K - 0 0 158 2,-0.1 112,-0.2 -2,-0.1 3,-0.1 -0.339 23.0-116.1 -77.2 161.4 -23.4 5.9 24.9 76 77 A N S S+ 0 0 18 1,-0.2 111,-1.7 136,-0.2 110,-1.5 0.887 112.8 41.0 -60.0 -41.3 -19.7 4.9 24.1 77 78 A L E S-h 187 0D 8 109,-0.2 111,-0.3 108,-0.1 -1,-0.2 -0.963 88.4-147.6-114.1 110.4 -20.7 1.3 25.0 78 79 A L E -h 188 0D 11 109,-2.9 111,-3.4 -2,-0.5 2,-0.7 -0.497 5.5-140.3 -80.7 147.4 -24.1 0.2 23.7 79 80 A D E -h 189 0D 100 109,-0.2 2,-0.4 -2,-0.2 111,-0.2 -0.921 29.2-176.6-111.5 112.7 -26.4 -2.3 25.6 80 81 A I E -h 190 0D 2 109,-3.0 111,-3.1 -2,-0.7 112,-0.3 -0.934 14.5-142.5-122.3 128.0 -28.0 -4.5 22.9 81 82 A D - 0 0 103 -2,-0.4 30,-0.1 109,-0.2 109,-0.0 -0.440 32.0 -81.6 -84.4 153.5 -30.5 -7.3 23.4 82 83 A A S S+ 0 0 26 -2,-0.1 242,-0.1 2,-0.0 2,-0.1 -0.580 96.8 62.2 -81.8 156.6 -30.8 -10.7 21.6 83 84 A P S S+ 0 0 80 0, 0.0 28,-0.3 0, 0.0 2,-0.3 0.656 76.1 144.1 -77.5 155.2 -31.9 -11.6 19.0 84 85 A V E -B 323 0A 2 239,-1.8 239,-2.7 -2,-0.1 2,-0.6 -0.987 47.5-131.3-156.3 146.9 -29.6 -9.5 16.8 85 86 A T E -Bc 322 112A 3 26,-2.5 28,-2.7 -2,-0.3 2,-0.5 -0.942 25.4-158.7-103.5 120.1 -27.8 -9.7 13.5 86 87 A V E -Bc 321 113A 0 235,-2.6 235,-2.8 -2,-0.6 2,-0.3 -0.884 10.0-170.6-106.8 127.9 -24.2 -8.7 13.8 87 88 A C E -Bc 320 114A 0 26,-2.7 28,-2.3 -2,-0.5 233,-0.1 -0.922 6.9-159.6-122.6 145.4 -22.3 -7.6 10.7 88 89 A G - 0 0 0 231,-0.5 217,-0.2 -2,-0.3 28,-0.2 0.005 54.9 -7.1-103.0-150.0 -18.6 -6.8 10.0 89 90 A D + 0 0 3 215,-0.5 217,-0.6 26,-0.1 -1,-0.3 -0.074 43.3 170.4 -61.0 143.7 -17.0 -4.8 7.2 90 91 A I > - 0 0 3 27,-1.7 3,-1.4 26,-0.4 28,-0.2 0.680 14.9-170.3-113.0 -43.4 -18.9 -3.4 4.3 91 92 A H T 3 S- 0 0 1 26,-3.2 31,-0.8 1,-0.2 28,-0.3 0.893 72.3 -52.7 45.6 53.1 -16.2 -1.1 2.7 92 93 A G T 3 S+ 0 0 0 26,-2.7 32,-1.5 1,-0.2 2,-1.5 0.635 94.4 139.5 69.1 15.2 -18.5 0.7 0.2 93 94 A Q X> + 0 0 19 -3,-1.4 4,-2.5 1,-0.2 3,-0.9 -0.516 19.9 166.9 -90.0 67.8 -19.9 -2.6 -1.3 94 95 A F H 3> + 0 0 0 -2,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.821 70.0 54.6 -57.2 -36.2 -23.4 -1.2 -1.6 95 96 A F H 3> S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.827 110.4 46.1 -74.3 -27.5 -24.7 -4.0 -3.8 96 97 A D H <> S+ 0 0 7 -3,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.860 106.3 59.6 -78.4 -35.9 -23.6 -6.6 -1.3 97 98 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.881 101.2 55.3 -58.2 -37.4 -25.1 -4.6 1.5 98 99 A M H X S+ 0 0 7 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.956 111.3 43.9 -57.8 -45.1 -28.4 -5.0 -0.4 99 100 A K H X S+ 0 0 21 -4,-1.2 4,-2.2 1,-0.2 3,-0.4 0.911 105.4 62.2 -68.5 -42.0 -28.0 -8.7 -0.3 100 101 A L H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.888 101.1 53.7 -43.2 -49.3 -26.8 -8.7 3.4 101 102 A F H X S+ 0 0 16 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.895 108.5 49.4 -62.5 -35.0 -30.2 -7.3 4.4 102 103 A E H < S+ 0 0 137 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.911 115.8 43.0 -63.0 -41.3 -31.9 -10.2 2.6 103 104 A V H < S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 121.2 39.7 -73.8 -41.2 -29.7 -12.7 4.4 104 105 A G H < S- 0 0 0 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.634 116.4 -97.0 -88.0 -16.7 -29.9 -11.1 7.8 105 106 A G < - 0 0 18 -4,-1.6 -1,-0.2 -5,-0.2 5,-0.1 -0.123 46.8 -61.3 109.9 150.6 -33.6 -10.0 7.9 106 107 A S >> - 0 0 58 1,-0.1 3,-2.0 -4,-0.1 4,-0.9 -0.457 38.0-133.5 -65.3 130.8 -35.6 -6.9 7.3 107 108 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.722 103.9 73.8 -56.9 -22.0 -34.6 -3.9 9.5 108 109 A A T 34 S+ 0 0 63 1,-0.2 3,-0.0 3,-0.1 -2,-0.0 0.795 119.7 10.5 -59.7 -31.9 -38.4 -3.5 10.0 109 110 A N T <4 S+ 0 0 136 -3,-2.0 2,-0.4 1,-0.1 -1,-0.2 0.279 116.6 76.8-135.5 20.9 -38.3 -6.6 12.2 110 111 A T < - 0 0 26 -4,-0.9 2,-0.3 -5,-0.1 -26,-0.1 -0.993 69.1-131.2-134.2 133.2 -34.7 -7.5 12.9 111 112 A R - 0 0 64 -2,-0.4 -26,-2.5 -28,-0.3 2,-0.3 -0.697 31.1-162.5 -76.8 136.9 -32.2 -5.8 15.3 112 113 A Y E -cd 85 143A 1 30,-2.7 32,-2.1 -2,-0.3 2,-0.4 -0.941 17.5-172.0-124.4 147.9 -28.9 -5.0 13.6 113 114 A L E -cd 86 144A 0 -28,-2.7 -26,-2.7 -2,-0.3 2,-0.4 -0.968 9.4-165.0-137.0 118.4 -25.4 -4.2 14.9 114 115 A F E -cd 87 145A 0 30,-2.6 32,-1.9 -2,-0.4 -26,-0.2 -0.888 11.6-150.4-103.8 140.7 -22.7 -3.2 12.4 115 116 A L - 0 0 0 -28,-2.3 164,-0.2 -2,-0.4 2,-0.2 0.280 45.8 -97.4-101.7 15.7 -19.1 -3.2 13.5 116 117 A G S S+ 0 0 0 -28,-0.2 -26,-0.4 32,-0.1 -1,-0.2 -0.502 81.2 102.5 110.1-175.7 -17.6 -0.4 11.4 117 118 A D + 0 0 3 -28,-0.2 -26,-3.2 -2,-0.2 -27,-1.7 0.956 36.7 152.2 57.8 53.8 -15.6 0.1 8.1 118 119 A Y + 0 0 0 -28,-0.2 -26,-2.7 -27,-0.2 2,-0.2 0.754 58.5 52.1 -77.2 -25.1 -18.6 1.3 6.0 119 120 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 31,-0.1 -0.624 77.1 43.4-118.8 167.4 -16.4 3.3 3.7 120 121 A D S S+ 0 0 0 2,-0.3 2,-1.8 -2,-0.2 4,-0.1 0.357 90.5 41.7 81.4 147.9 -13.2 3.1 1.5 121 122 A R S S+ 0 0 65 -29,-0.1 2,-0.2 2,-0.1 -29,-0.1 -0.399 100.5 76.3 83.8 -58.3 -12.0 0.5 -1.0 122 123 A G S > S- 0 0 10 -2,-1.8 3,-0.6 -31,-0.8 -2,-0.3 -0.584 82.6-131.4 -77.7 148.0 -15.5 -0.1 -2.5 123 124 A Y T 3 S+ 0 0 23 1,-0.2 3,-0.1 -2,-0.2 -30,-0.1 0.285 96.2 62.3 -90.5 13.6 -16.7 2.6 -4.9 124 125 A F T 3> + 0 0 6 -32,-1.5 4,-2.1 -33,-0.2 -1,-0.2 -0.127 58.6 127.9-127.0 42.5 -20.2 3.0 -3.3 125 126 A S H <> S+ 0 0 0 -3,-0.6 4,-2.3 1,-0.2 -33,-0.2 0.835 71.9 52.5 -68.0 -38.6 -19.3 4.2 0.2 126 127 A I H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.891 109.0 51.2 -69.4 -33.8 -21.5 7.3 0.2 127 128 A E H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 109.8 49.6 -67.6 -41.1 -24.5 5.1 -0.8 128 129 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.933 115.0 44.8 -58.3 -48.0 -23.7 2.7 2.1 129 130 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.920 113.4 48.9 -65.5 -45.5 -23.5 5.7 4.5 130 131 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.960 115.4 45.2 -60.8 -46.1 -26.6 7.4 3.2 131 132 A Y H X S+ 0 0 17 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.931 115.9 43.9 -60.3 -51.2 -28.6 4.1 3.4 132 133 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.892 114.5 49.8 -67.1 -37.8 -27.4 3.1 6.9 133 134 A W H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.928 110.6 50.9 -67.0 -38.7 -27.9 6.6 8.3 134 135 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.923 110.8 49.3 -60.7 -44.7 -31.4 6.7 6.8 135 136 A L H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.850 108.3 53.1 -61.3 -39.7 -32.1 3.3 8.5 136 137 A K H < S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.861 109.0 49.1 -61.9 -41.7 -30.7 4.7 11.8 137 138 A I H < S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 117.2 42.3 -61.1 -43.0 -33.2 7.7 11.5 138 139 A L H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.881 128.5 27.2 -74.1 -39.2 -36.1 5.3 10.8 139 140 A Y >X + 0 0 60 -4,-3.0 4,-1.7 -5,-0.1 3,-1.5 -0.506 69.6 161.7-121.3 64.1 -35.1 2.6 13.4 140 141 A P T 34 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 76.4 42.2 -61.8 -21.4 -33.3 4.5 16.1 141 142 A K T 34 S+ 0 0 144 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.452 120.5 36.9-102.7 -4.5 -33.7 1.8 18.7 142 143 A T T <4 S+ 0 0 46 -3,-1.5 -30,-2.7 1,-0.2 2,-0.5 0.494 102.0 67.6-127.5 -6.7 -33.1 -1.4 16.7 143 144 A L E < -d 112 0A 2 -4,-1.7 2,-0.4 -32,-0.2 -1,-0.2 -0.981 63.5-172.3-119.3 123.8 -30.3 -0.5 14.2 144 145 A F E -d 113 0A 12 -32,-2.1 -30,-2.6 -2,-0.5 2,-0.5 -0.930 8.0-165.4-125.0 139.7 -26.9 0.1 15.8 145 146 A L E -d 114 0A 0 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.989 4.8-164.3-128.3 125.1 -23.7 1.4 14.1 146 147 A L - 0 0 0 -32,-1.9 2,-0.3 -2,-0.5 40,-0.2 -0.736 28.3-101.4-101.1 163.8 -20.2 1.2 15.7 147 148 A R - 0 0 0 38,-2.6 51,-0.4 -2,-0.3 2,-0.2 -0.625 33.7-166.1 -80.5 136.2 -17.0 3.1 14.6 148 149 A G > - 0 0 1 -2,-0.3 3,-1.2 50,-0.1 -32,-0.1 -0.698 39.5 -98.6-112.1 171.9 -14.4 1.2 12.5 149 150 A N T 3 S+ 0 0 2 81,-0.6 6,-0.3 1,-0.2 82,-0.1 0.761 121.0 57.9 -64.7 -24.2 -10.8 2.4 11.9 150 151 A H T 3 S+ 0 0 4 1,-0.2 2,-2.3 80,-0.1 -1,-0.2 0.662 80.6 88.8 -76.5 -14.8 -11.8 3.8 8.4 151 152 A E S < S+ 0 0 0 -3,-1.2 2,-0.3 4,-0.1 -1,-0.2 -0.433 77.3 80.7 -85.7 65.2 -14.4 6.1 9.8 152 153 A C S > S- 0 0 4 -2,-2.3 4,-1.4 1,-0.1 5,-0.1 -0.952 86.6-104.8-157.1 175.7 -12.0 9.0 10.3 153 154 A R H > S+ 0 0 75 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.913 109.6 57.8 -75.0 -45.2 -10.3 11.8 8.4 154 155 A H H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.897 113.9 36.4 -59.4 -45.5 -6.8 10.3 8.2 155 156 A L H > S+ 0 0 4 -6,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.878 114.3 53.1 -76.4 -37.9 -7.9 7.1 6.4 156 157 A T H < S+ 0 0 0 -4,-1.4 6,-2.1 1,-0.2 7,-0.4 0.795 107.8 52.7 -73.4 -24.2 -10.6 8.5 4.2 157 158 A E H < S+ 0 0 117 -4,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.860 116.0 40.0 -70.5 -33.5 -8.3 11.2 2.8 158 159 A Y H < S+ 0 0 45 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.1 0.851 121.2 43.0 -86.0 -38.8 -5.6 8.5 1.9 159 160 A F S < S- 0 0 55 -4,-2.9 4,-0.3 -5,-0.1 -3,-0.1 0.343 110.9 -79.1 -84.0-139.3 -8.1 5.9 0.6 160 161 A T S > S+ 0 0 13 1,-0.1 4,-2.7 2,-0.1 5,-0.2 0.638 98.8 88.5-112.4 -14.9 -11.1 6.8 -1.7 161 162 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.849 89.2 48.6 -60.0 -43.4 -13.9 8.2 0.4 162 163 A K H > S+ 0 0 41 -6,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.956 115.6 45.8 -63.6 -43.1 -13.0 11.9 0.4 163 164 A Q H > S+ 0 0 55 -7,-0.4 4,-2.4 -4,-0.3 5,-0.3 0.887 109.2 56.2 -62.3 -41.4 -12.5 11.7 -3.4 164 165 A E H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.916 110.0 45.0 -56.5 -48.0 -15.9 9.8 -3.7 165 166 A C H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.935 111.7 53.0 -63.2 -47.4 -17.7 12.7 -1.9 166 167 A K H < S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.5 36.6 -53.5 -44.2 -15.8 15.3 -4.0 167 168 A I H < S+ 0 0 53 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.889 127.2 34.0 -80.4 -41.1 -16.8 13.7 -7.3 168 169 A K H < S- 0 0 11 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.887 140.1 -11.7 -82.7 -41.1 -20.4 12.5 -6.4 169 170 A Y S < S- 0 0 18 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.1 0.311 93.9 -83.2-122.7-107.5 -21.4 15.3 -4.1 170 171 A S >> - 0 0 19 -113,-0.1 4,-1.7 1,-0.0 3,-0.7 -0.951 38.6 -89.3-158.8 176.9 -19.1 18.0 -2.6 171 172 A E H 3> S+ 0 0 86 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.747 120.3 64.9 -67.9 -25.5 -16.6 18.5 0.2 172 173 A R H 3> S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 101.4 50.6 -61.5 -36.7 -19.4 19.7 2.5 173 174 A V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.962 111.4 48.6 -66.4 -47.8 -20.9 16.2 2.3 174 175 A Y H X S+ 0 0 9 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.947 111.8 47.9 -50.6 -54.1 -17.4 14.8 3.2 175 176 A D H X S+ 0 0 81 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.872 110.3 52.0 -59.3 -38.1 -17.1 17.3 6.2 176 177 A A H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.931 109.1 51.0 -64.9 -41.9 -20.6 16.4 7.5 177 178 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 106.7 54.3 -58.9 -42.4 -19.7 12.7 7.3 178 179 A M H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.891 109.6 46.4 -61.5 -40.6 -16.5 13.3 9.3 179 180 A D H X S+ 0 0 88 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.875 113.3 50.6 -65.7 -36.2 -18.5 15.1 12.1 180 181 A A H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.894 106.5 54.4 -68.8 -39.5 -21.1 12.2 11.9 181 182 A F H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.834 99.9 61.2 -63.0 -35.1 -18.3 9.6 12.2 182 183 A D H 3< S+ 0 0 17 -4,-1.5 36,-0.3 1,-0.2 -1,-0.3 0.751 101.4 54.7 -59.9 -28.2 -17.0 11.3 15.4 183 184 A C T << S+ 0 0 2 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.563 80.5 116.4 -82.3 -9.4 -20.4 10.5 17.0 184 185 A L S < S- 0 0 0 -3,-1.1 -38,-0.1 -4,-0.4 -37,-0.1 -0.372 70.9-114.7 -64.6 133.1 -20.3 6.7 16.3 185 186 A P - 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0 0 25 -3,-0.8 3,-0.3 84,-0.2 86,-0.1 -0.304 67.1-120.0 -74.6 160.9 1.4 25.6 -34.2 439 83 B V S S+ 0 0 94 1,-0.2 -1,-0.1 84,-0.2 85,-0.1 0.816 112.9 58.8 -70.2 -30.6 3.2 27.2 -31.2 440 84 B K S S+ 0 0 179 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.797 79.9 112.1 -68.0 -31.7 1.2 30.4 -31.6 441 85 B G - 0 0 18 -3,-0.3 -5,-0.0 -6,-0.1 5,-0.0 -0.140 65.2-132.8 -49.3 126.8 -2.1 28.5 -31.2 442 86 B D > - 0 0 102 1,-0.1 4,-1.3 4,-0.0 3,-0.3 -0.194 24.8 -95.9 -80.7 176.0 -3.8 29.5 -27.9 443 87 B K H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.889 120.3 54.1 -57.7 -46.4 -5.4 27.2 -25.3 444 88 B E H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 105.6 53.9 -60.3 -39.9 -8.9 27.4 -26.7 445 89 B Q H > S+ 0 0 51 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.818 109.9 46.7 -63.7 -37.2 -7.8 26.3 -30.2 446 90 B K H X S+ 0 0 4 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.869 109.3 53.6 -74.0 -39.8 -6.1 23.2 -28.9 447 91 B L H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.842 106.0 55.7 -59.4 -32.8 -9.1 22.3 -26.7 448 92 B R H X S+ 0 0 99 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.918 107.0 48.2 -65.4 -44.0 -11.2 22.6 -29.9 449 93 B F H X S+ 0 0 3 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.941 110.8 50.9 -63.8 -45.8 -9.0 20.1 -31.7 450 94 B A H X S+ 0 0 3 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.906 108.3 52.7 -58.8 -39.9 -9.3 17.7 -28.8 451 95 B F H >X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 3,-0.9 0.918 103.9 57.7 -59.2 -42.2 -13.1 18.1 -28.8 452 96 B R H 3< S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.786 95.1 65.5 -59.4 -31.8 -13.1 17.2 -32.5 453 97 B I H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.926 111.8 33.5 -54.7 -44.5 -11.4 13.9 -31.7 454 98 B Y H << S+ 0 0 0 -4,-0.9 2,-1.9 -3,-0.9 -2,-0.2 0.762 101.4 78.5 -86.0 -27.3 -14.6 12.9 -29.8 455 99 B D >< + 0 0 8 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 -0.525 58.0 174.5 -85.5 75.5 -17.2 14.6 -31.9 456 100 B M T 3 S+ 0 0 44 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.850 75.6 44.7 -55.2 -40.1 -17.3 12.0 -34.7 457 101 B D T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.479 101.7-130.5 -88.9 -0.9 -20.2 13.5 -36.6 458 102 B K < + 0 0 96 -3,-1.7 -2,-0.1 -6,-0.1 4,-0.1 0.702 66.6 128.9 67.5 23.4 -18.9 17.1 -36.3 459 103 B D S S- 0 0 73 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.422 81.6-104.4 -90.5 1.3 -22.3 18.6 -35.1 460 104 B G S S+ 0 0 30 1,-0.1 45,-0.5 -5,-0.1 2,-0.4 0.437 92.9 88.6 94.9 -3.1 -20.8 20.3 -32.1 461 105 B Y - 0 0 84 43,-0.1 2,-0.7 44,-0.1 -2,-0.3 -0.999 68.2-137.7-134.3 132.4 -22.0 17.9 -29.4 462 106 B I B -Q 503 0H 0 41,-2.9 41,-2.9 -2,-0.4 2,-0.2 -0.815 29.0-159.3 -90.4 117.1 -20.4 14.7 -28.1 463 107 B S > - 0 0 13 -2,-0.7 4,-2.5 39,-0.2 5,-0.2 -0.526 30.4-105.9 -92.1 164.3 -23.1 12.1 -27.8 464 108 B N H > S+ 0 0 6 37,-0.5 4,-2.5 1,-0.2 5,-0.2 0.937 120.9 49.5 -51.5 -51.2 -23.0 8.9 -25.7 465 109 B G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.8 48.4 -56.3 -42.5 -22.4 6.7 -28.8 466 110 B E H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.932 111.3 48.5 -64.4 -47.5 -19.6 8.9 -30.0 467 111 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.923 112.8 49.4 -63.2 -44.5 -17.8 9.0 -26.7 468 112 B F H X S+ 0 0 8 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.954 112.6 47.1 -53.4 -53.1 -18.1 5.2 -26.4 469 113 B Q H X S+ 0 0 81 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.882 113.0 46.9 -64.0 -39.4 -16.8 4.5 -29.9 470 114 B V H X S+ 0 0 2 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.921 113.6 47.7 -70.0 -44.8 -13.8 6.8 -29.7 471 115 B L H >X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 3,-1.4 0.950 106.8 59.3 -57.9 -43.6 -12.8 5.4 -26.2 472 116 B K H 3X S+ 0 0 71 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.854 99.5 57.8 -52.5 -38.8 -13.3 1.9 -27.7 473 117 B M H 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.810 114.8 36.3 -59.2 -35.1 -10.6 2.7 -30.3 474 118 B M H << S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.9 -1,-0.2 0.781 119.0 45.0 -89.1 -35.5 -8.1 3.5 -27.5 475 119 B V H >< S+ 0 0 17 -4,-2.3 3,-2.0 1,-0.2 -3,-0.2 0.744 78.9 177.9 -84.2 -31.1 -8.9 0.9 -24.9 476 120 B G G >< S- 0 0 35 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.2 -0.372 70.1 -16.3 62.8-125.3 -9.2 -2.1 -27.2 477 121 B N G 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.443 111.2 98.8 -89.7 0.4 -10.0 -5.2 -25.3 478 122 B N G < S+ 0 0 37 -3,-2.0 2,-0.4 281,-0.2 -1,-0.2 0.692 86.9 39.0 -67.4 -17.0 -9.0 -3.8 -21.9 479 123 B L S < S- 0 0 7 -3,-0.5 2,-0.1 -7,-0.1 -1,-0.1 -0.993 84.2-122.7-127.9 144.0 -12.6 -3.0 -20.9 480 124 B K > - 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0 0 17 -2,-0.7 4,-2.4 39,-0.2 5,-0.2 -0.464 29.9-104.0 -88.6 169.7 18.0 8.4 35.9 978 108 D N H > S+ 0 0 8 37,-0.4 4,-2.1 1,-0.2 5,-0.1 0.889 121.4 47.9 -56.9 -46.0 18.1 5.5 33.4 979 109 D G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 110.9 49.9 -66.3 -39.7 17.3 3.0 36.1 980 110 D E H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.932 110.5 50.3 -64.2 -43.6 14.4 5.0 37.5 981 111 D L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 111.8 47.7 -62.9 -45.0 12.9 5.5 34.1 982 112 D F H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.950 113.1 48.5 -55.6 -51.2 13.1 1.8 33.3 983 113 D Q H X S+ 0 0 87 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.900 111.8 47.4 -63.2 -42.4 11.6 0.8 36.7 984 114 D V H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.903 113.8 47.6 -66.9 -40.8 8.6 3.2 36.5 985 115 D L H >X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.3 3,-0.7 0.896 107.9 57.4 -64.6 -38.8 7.8 2.1 32.9 986 116 D K H 3X S+ 0 0 62 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.917 101.4 55.7 -58.9 -43.7 8.1 -1.5 34.0 987 117 D M H 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.810 116.8 37.7 -54.7 -33.6 5.4 -0.8 36.7 988 118 D M H << S+ 0 0 33 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.815 120.4 40.8 -91.2 -32.8 3.1 0.3 33.8 989 119 D V H >< S- 0 0 19 -4,-2.6 3,-1.9 1,-0.2 -3,-0.2 0.706 79.7-176.8 -92.7 -23.8 4.0 -2.1 31.0 990 120 D G T 3< - 0 0 34 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 -0.388 68.7 -21.0 62.3-131.5 4.2 -5.2 33.1 991 121 D N T 3 S+ 0 0 109 1,-0.2 -1,-0.3 -747,-0.1 -5,-0.0 0.316 109.2 101.0 -91.4 8.2 5.2 -8.1 30.8 992 122 D N S < S+ 0 0 33 -3,-1.9 2,-0.4 -747,-0.1 -743,-0.2 0.708 85.0 42.7 -72.3 -18.8 4.2 -6.6 27.5 993 123 D L S S- 0 0 11 -3,-0.5 -1,-0.1 -7,-0.1 2,-0.1 -0.985 86.4-123.1-121.2 140.5 7.8 -5.6 26.6 994 124 D K > - 0 0 103 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.342 33.5-107.2 -65.8 158.1 10.9 -7.8 27.2 995 125 D D H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -464,-0.2 0.848 119.9 53.3 -55.2 -39.0 13.6 -6.2 29.3 996 126 D T H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 109.0 47.6 -66.5 -43.3 15.8 -5.7 26.3 997 127 D Q H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 113.2 47.7 -62.4 -48.1 13.1 -3.8 24.4 998 128 D L H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 112.1 50.3 -63.2 -41.2 12.3 -1.6 27.4 999 129 D Q H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.872 108.8 52.1 -63.3 -40.0 16.0 -0.8 27.9 1000 130 D Q H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 112.6 44.1 -65.0 -42.0 16.5 0.1 24.2 1001 131 D I H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 -139,-0.5 0.844 112.2 52.6 -73.7 -27.7 13.6 2.6 24.3 1002 132 D V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.950 109.9 50.2 -68.0 -49.0 14.7 4.1 27.6 1003 133 D D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 111.5 46.5 -54.3 -46.3 18.2 4.6 26.2 1004 134 D K H X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.842 109.4 55.0 -70.6 -32.4 17.0 6.4 23.1 1005 135 D T H X S+ 0 0 5 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.929 110.4 46.3 -64.2 -40.8 14.6 8.5 25.2 1006 136 D I H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.915 109.5 52.7 -69.0 -40.7 17.5 9.7 27.3 1007 137 D I H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.0 46.4 -59.1 -42.2 19.8 10.4 24.3 1008 138 D N H < S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 122.6 32.8 -65.7 -41.6 17.1 12.5 22.8 1009 139 D A H < S+ 0 0 4 -4,-2.0 2,-2.1 -5,-0.2 -2,-0.2 0.713 90.6 94.2 -91.4 -23.6 16.3 14.5 25.9 1010 140 D D >< + 0 0 23 -4,-2.8 3,-1.5 -5,-0.2 5,-0.2 -0.445 44.6 169.0 -79.0 76.9 19.6 14.7 27.7 1011 141 D K T 3 S+ 0 0 161 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.564 75.5 46.2 -71.9 -9.0 20.8 18.1 26.4 1012 142 D D T 3 S- 0 0 98 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.379 104.4-126.5-111.4 0.9 23.8 18.4 28.8 1013 143 D G < + 0 0 61 -3,-1.5 -2,-0.1 1,-0.1 -3,-0.1 0.745 68.5 128.9 64.7 28.4 25.0 14.9 28.3 1014 144 D D S S- 0 0 60 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.392 77.9-112.4 -93.5 5.6 25.1 13.8 31.9 1015 145 D G S S+ 0 0 37 1,-0.2 -37,-0.4 -5,-0.2 2,-0.3 0.430 87.3 84.1 82.0 -2.1 23.1 10.6 31.4 1016 146 D R S S- 0 0 81 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.867 75.3-116.6-133.6 167.8 20.0 11.8 33.3 1017 147 D I E -G 976 0P 0 -41,-2.7 -41,-2.7 -2,-0.3 2,-0.1 -0.907 25.6-161.3-114.8 114.9 16.9 13.9 32.7 1018 148 D S E > -G 975 0P 21 -2,-0.6 4,-2.9 -43,-0.2 5,-0.2 -0.396 37.2-101.2 -86.6 168.2 16.5 17.2 34.7 1019 149 D F H > S+ 0 0 26 -45,-0.6 4,-2.7 1,-0.2 5,-0.2 0.906 125.5 50.5 -58.5 -39.8 13.1 18.9 35.1 1020 150 D E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 111.9 47.3 -63.3 -45.3 14.0 21.4 32.4 1021 151 D E H > S+ 0 0 15 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.891 111.7 51.4 -60.6 -40.4 15.0 18.5 30.1 1022 152 D F H >X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 3,-0.7 0.952 108.4 50.7 -61.9 -50.7 11.7 16.7 30.9 1023 153 D C H 3X S+ 0 0 30 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.824 103.3 58.7 -60.2 -36.6 9.6 19.8 30.2 1024 154 D A H 3< S+ 0 0 91 -4,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.869 111.2 42.8 -60.0 -36.2 11.2 20.3 26.8 1025 155 D V H << S+ 0 0 30 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.853 128.7 24.7 -76.9 -37.9 10.1 16.8 25.8 1026 156 D V H >< S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.1 4,-0.5 0.559 87.9 98.5-110.3 -13.0 6.5 16.8 27.2 1027 157 D G G >< S+ 0 0 17 -4,-2.6 3,-0.9 1,-0.3 -1,-0.1 0.825 84.4 56.5 -45.4 -38.7 5.4 20.5 27.4 1028 158 D G G 3 S+ 0 0 72 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.678 89.5 74.6 -70.9 -21.3 3.5 20.2 24.1 1029 159 D L G < S- 0 0 58 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.771 82.6-149.8 -62.8 -30.3 1.4 17.3 25.3 1030 160 D D X + 0 0 73 -3,-0.9 3,-0.7 -4,-0.5 4,-0.3 0.886 43.8 146.8 54.9 44.3 -0.9 19.5 27.6 1031 161 D I G >> + 0 0 13 -5,-0.3 3,-1.2 1,-0.2 4,-0.7 0.688 58.5 75.5 -79.2 -18.0 -1.5 16.6 30.0 1032 162 D H G 34 S+ 0 0 34 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.718 84.7 65.4 -63.1 -23.8 -1.6 19.2 32.8 1033 163 D K G <4 S+ 0 0 136 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.832 104.1 45.4 -65.1 -32.3 -5.1 20.0 31.5 1034 164 D K T <4 S+ 0 0 151 -3,-1.2 2,-1.5 -4,-0.3 -2,-0.2 0.613 92.3 83.2 -86.5 -16.4 -6.1 16.5 32.6 1035 165 D M < + 0 0 1 -4,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.440 66.8 118.5 -90.7 63.6 -4.5 16.6 36.0 1036 166 D V + 0 0 49 -2,-1.5 2,-0.3 -3,-0.1 -84,-0.2 -0.980 35.9 179.8-130.2 134.7 -7.3 18.4 37.8 1037 167 D V - 0 0 8 -86,-3.1 2,-0.8 -2,-0.4 -84,-0.3 -0.993 28.0-126.0-134.7 139.8 -9.6 17.4 40.7 1038 168 D D 0 0 135 -2,-0.3 -86,-0.1 -86,-0.1 -2,-0.0 -0.708 360.0 360.0 -84.6 108.5 -12.4 19.3 42.4 1039 169 D V 0 0 48 -2,-0.8 -151,-0.1 -91,-0.1 -150,-0.1 -0.567 360.0 360.0 -79.0 360.0 -11.8 19.6 46.1