==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/RNA 01-AUG-06 2HW8 . COMPND 2 MOLECULE: 36-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.TISHCHENKO,E.NIKONOVA,A.NIKULIN,N.NEVSKAYA,S.VOLCHKOV, . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 0 0 2 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 . 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 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 P 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 20.3 41.4 36.0 2 2 A K + 0 0 192 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.826 360.0 31.3 -66.9 -32.7 21.4 38.1 37.5 3 3 A H S S- 0 0 75 1,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.811 81.5-115.2-123.8 164.5 24.7 39.6 38.9 4 4 A G > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.452 36.7-102.6 -91.5 169.7 25.9 43.0 40.1 5 5 A K H > S+ 0 0 171 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 119.2 63.2 -61.8 -36.0 28.5 45.1 38.5 6 6 A R H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.963 110.8 38.2 -50.6 -54.1 31.1 44.0 41.0 7 7 A Y H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.914 110.8 58.2 -65.0 -46.3 30.8 40.5 39.8 8 8 A R H X S+ 0 0 106 -4,-2.5 4,-0.9 1,-0.3 -1,-0.2 0.898 103.8 53.7 -54.6 -36.2 30.4 41.3 36.2 9 9 A A H >X S+ 0 0 54 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.880 104.5 56.5 -65.6 -33.8 33.8 43.1 36.3 10 10 A L H >< S+ 0 0 1 -4,-1.2 3,-1.0 -3,-0.5 4,-0.5 0.867 96.4 63.2 -64.8 -35.0 35.3 39.9 37.7 11 11 A L H >< S+ 0 0 69 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.833 93.9 62.4 -58.0 -33.0 34.1 37.9 34.7 12 12 A E H << S+ 0 0 163 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.873 97.5 59.7 -61.1 -34.1 36.4 40.0 32.6 13 13 A K T << S+ 0 0 78 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.2 0.627 97.3 68.0 -72.2 -14.9 39.3 38.6 34.5 14 14 A V < - 0 0 22 -3,-1.2 208,-0.1 -4,-0.5 3,-0.1 -0.872 65.6-143.9-117.0 144.9 38.7 34.9 33.7 15 15 A D > - 0 0 72 -2,-0.4 3,-2.3 1,-0.1 -3,-0.1 -0.869 8.0-162.8-101.3 104.6 39.0 32.8 30.6 16 16 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 207,-0.0 0.691 92.9 54.7 -59.2 -18.9 36.2 30.2 30.7 17 17 A N T 3 S+ 0 0 150 -3,-0.1 2,-0.4 2,-0.0 -2,-0.0 0.489 92.2 93.0 -93.1 -5.1 38.2 28.3 28.0 18 18 A K < - 0 0 79 -3,-2.3 2,-0.8 206,-0.0 205,-0.6 -0.740 60.3-154.2 -98.5 136.2 41.4 28.2 30.0 19 19 A I E -a 223 0A 91 -2,-0.4 205,-0.2 203,-0.1 2,-0.1 -0.930 27.8-152.2-104.2 107.9 42.5 25.4 32.2 20 20 A Y E -a 224 0A 20 203,-2.8 205,-2.2 -2,-0.8 2,-0.2 -0.341 11.1-117.7 -78.8 160.5 44.8 27.2 34.7 21 21 A T > - 0 0 51 203,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.595 35.1-106.9 -89.7 160.1 47.7 25.7 36.7 22 22 A I H > S+ 0 0 1 203,-0.5 4,-3.2 1,-0.2 5,-0.2 0.934 122.1 48.5 -54.3 -46.9 47.4 25.7 40.4 23 23 A D H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 110.1 50.4 -64.2 -39.2 49.9 28.5 40.7 24 24 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.972 114.4 45.5 -61.3 -48.7 48.2 30.6 38.0 25 25 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.925 108.1 56.5 -58.5 -47.7 45.0 30.1 39.9 26 26 A A H < S+ 0 0 0 -4,-3.2 4,-0.4 -5,-0.2 -1,-0.2 0.843 111.1 44.2 -56.3 -33.4 46.6 30.9 43.2 27 27 A H H >< S+ 0 0 102 -4,-1.8 3,-0.6 -3,-0.4 4,-0.3 0.853 111.9 52.6 -80.4 -33.5 47.8 34.3 41.9 28 28 A L H >X S+ 0 0 24 -4,-2.0 3,-1.6 1,-0.2 4,-0.7 0.780 90.5 77.4 -73.8 -25.0 44.5 35.1 40.2 29 29 A V G >< S+ 0 0 5 -4,-2.0 3,-0.7 1,-0.3 4,-0.2 0.791 83.5 63.0 -58.5 -29.3 42.4 34.5 43.3 30 30 A K G <4 S+ 0 0 68 -3,-0.6 3,-0.5 -4,-0.4 -1,-0.3 0.817 106.0 47.7 -64.7 -28.1 43.3 37.8 44.9 31 31 A E G <4 S+ 0 0 114 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.610 105.5 56.6 -87.2 -13.2 41.7 39.6 42.0 32 32 A L S << S+ 0 0 4 -4,-0.7 2,-0.5 -3,-0.7 -1,-0.2 0.283 92.0 80.9 -99.7 11.7 38.5 37.5 42.0 33 33 A A + 0 0 22 -3,-0.5 -1,-0.2 -4,-0.2 6,-0.1 -0.728 42.7 136.2-118.9 82.5 37.8 38.5 45.6 34 34 A T + 0 0 61 -2,-0.5 -1,-0.1 -3,-0.1 4,-0.1 0.358 31.7 118.9-108.4 5.3 36.2 41.9 45.8 35 35 A A S S- 0 0 20 -3,-0.1 2,-1.2 1,-0.1 4,-0.2 -0.210 82.4 -96.1 -63.8 166.4 33.5 41.4 48.3 36 36 A K S S+ 0 0 213 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.181 101.2 46.0 -84.6 46.1 33.7 43.5 51.5 37 37 A F S S- 0 0 108 -2,-1.2 2,-1.3 -4,-0.0 -2,-0.1 -0.955 103.5 -76.9-167.3 168.6 35.4 41.0 53.6 38 38 A D - 0 0 67 -2,-0.3 -2,-0.1 -4,-0.1 -4,-0.1 -0.654 58.8-144.8 -82.4 99.7 38.3 38.6 53.4 39 39 A E - 0 0 0 -2,-1.3 139,-2.9 -4,-0.2 2,-0.3 -0.151 8.9-113.6 -63.6 156.7 36.7 35.8 51.3 40 40 A T E -B 177 0A 25 137,-0.2 177,-1.3 138,-0.1 2,-0.4 -0.695 23.9-131.2 -90.6 141.0 37.4 32.1 51.6 41 41 A V E -BC 176 216A 0 135,-2.7 134,-3.4 -2,-0.3 135,-0.8 -0.793 30.0-164.1 -91.5 136.7 39.2 30.4 48.7 42 42 A E E -BC 174 215A 44 173,-2.7 173,-2.3 -2,-0.4 2,-0.4 -0.901 16.6-153.2-124.6 153.9 37.4 27.1 47.7 43 43 A V E -BC 173 214A 0 130,-2.3 130,-1.9 -2,-0.3 2,-0.4 -0.988 15.0-172.6-124.9 132.1 38.2 24.0 45.7 44 44 A H E -BC 172 213A 52 169,-2.3 169,-2.7 -2,-0.4 2,-0.4 -0.972 2.5-177.0-126.3 144.5 35.5 22.0 44.0 45 45 A A E -BC 171 212A 5 126,-2.5 126,-2.5 -2,-0.4 2,-0.6 -0.998 24.1-141.6-144.3 138.4 35.7 18.7 42.2 46 46 A K E -BC 170 211A 84 165,-2.1 165,-1.2 -2,-0.4 164,-1.2 -0.874 34.4-147.6 -93.7 125.7 33.4 16.4 40.3 47 47 A L E - C 0 209A 3 122,-2.6 2,-1.6 -2,-0.6 162,-0.2 -0.723 17.0-129.8-101.6 147.7 34.4 12.9 41.2 48 48 A G S S+ 0 0 3 160,-1.9 2,-0.3 -2,-0.3 161,-0.1 -0.650 71.7 106.7 -91.0 80.0 34.3 9.7 39.2 49 49 A I S S- 0 0 22 -2,-1.6 8,-0.1 155,-0.2 7,-0.0 -0.867 76.4-113.9-143.4 170.2 32.4 7.6 41.8 50 50 A D > - 0 0 42 -2,-0.3 3,-2.8 3,-0.1 6,-0.2 -0.903 25.9-162.7-111.9 95.9 28.9 6.3 42.2 51 51 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 118,-0.1 0.613 83.9 71.8 -55.6 -11.9 27.7 8.3 45.2 52 52 A R T 3 S+ 0 0 216 116,-0.1 2,-0.5 4,-0.1 3,-0.1 0.688 86.1 77.9 -79.2 -15.6 24.9 5.8 45.6 53 53 A R S X S- 0 0 105 -3,-2.8 3,-2.3 1,-0.1 4,-0.3 -0.827 71.2-146.9-101.7 126.8 27.4 3.2 46.8 54 54 A S G > S+ 0 0 120 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.900 100.4 56.1 -52.7 -43.5 28.7 3.2 50.4 55 55 A D G 3 S+ 0 0 101 1,-0.3 148,-0.4 -3,-0.1 -1,-0.3 0.392 106.3 51.0 -75.6 8.0 32.1 1.8 49.2 56 56 A Q G < S+ 0 0 14 -3,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 0.307 78.7 117.9-123.8 8.7 32.6 4.7 46.8 57 57 A N < - 0 0 61 -3,-1.5 2,-0.7 -4,-0.3 109,-0.0 -0.485 58.0-140.0 -74.9 144.8 31.9 7.6 49.0 58 58 A V + 0 0 0 -2,-0.2 107,-2.1 143,-0.1 2,-0.3 -0.935 38.2 151.0-110.0 112.1 34.9 10.0 49.4 59 59 A R E +E 164 0B 63 -2,-0.7 2,-0.3 105,-0.2 105,-0.2 -0.973 12.8 96.6-149.8 129.4 35.2 11.1 53.0 60 60 A G E -E 163 0B 6 103,-2.4 103,-2.5 -2,-0.3 2,-0.3 -0.971 51.6 -96.3 178.9-169.0 38.1 12.2 55.2 61 61 A T E -E 162 0B 42 -2,-0.3 2,-0.3 101,-0.2 101,-0.2 -0.863 21.0-166.9-131.8 164.4 40.1 15.1 56.6 62 62 A V E -E 161 0B 22 99,-2.1 99,-3.4 -2,-0.3 2,-0.8 -0.964 22.4-129.0-155.4 135.1 43.3 16.8 55.7 63 63 A S E -E 160 0B 59 -2,-0.3 97,-0.2 97,-0.3 96,-0.1 -0.782 26.4-139.6 -86.3 111.1 45.5 19.3 57.6 64 64 A L > - 0 0 6 95,-1.1 3,-1.8 -2,-0.8 124,-0.1 -0.564 14.1-129.0 -71.7 129.4 46.1 22.3 55.4 65 65 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 95,-0.1 0.847 105.1 25.5 -45.1 -43.7 49.7 23.4 55.8 66 66 A H T 3 S- 0 0 69 1,-0.3 3,-0.3 118,-0.2 93,-0.1 0.057 104.7-134.0-115.2 24.1 48.8 27.0 56.4 67 67 A G < - 0 0 7 -3,-1.8 -1,-0.3 91,-0.2 92,-0.2 0.037 31.8 -73.8 59.8-163.8 45.3 26.6 57.8 68 68 A L - 0 0 33 2,-0.2 -1,-0.2 108,-0.1 108,-0.2 0.239 51.7-121.6-116.2 7.9 42.1 28.6 56.9 69 69 A G S S+ 0 0 57 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.797 76.5 119.6 54.8 27.8 43.0 31.9 58.7 70 70 A K - 0 0 136 87,-0.1 2,-0.4 107,-0.0 -2,-0.2 -0.815 66.6-115.6-123.8 163.6 39.8 31.3 60.6 71 71 A Q - 0 0 165 -2,-0.3 2,-0.4 -3,-0.1 86,-0.0 -0.787 27.0-172.2 -97.7 140.8 38.7 30.9 64.3 72 72 A V - 0 0 28 -2,-0.4 2,-0.8 85,-0.1 20,-0.1 -0.924 15.8-145.8-140.2 110.1 37.2 27.7 65.3 73 73 A R - 0 0 105 -2,-0.4 38,-2.9 18,-0.1 39,-1.7 -0.646 21.8-155.5 -78.1 109.4 35.7 27.2 68.8 74 74 A V E -f 112 0C 0 -2,-0.8 19,-2.0 16,-0.2 18,-0.8 -0.756 11.1-165.4 -96.2 127.8 36.3 23.6 69.8 75 75 A L E -fg 113 93C 0 37,-3.1 39,-2.3 -2,-0.5 2,-0.4 -0.923 12.0-167.7-105.5 129.0 34.2 21.7 72.4 76 76 A A E -fg 114 94C 0 17,-2.8 19,-3.0 -2,-0.5 2,-0.6 -0.973 10.7-162.5-122.8 132.6 35.8 18.5 73.7 77 77 A I E +fg 115 95C 1 37,-2.6 39,-1.5 -2,-0.4 2,-0.3 -0.963 30.7 150.8-114.1 119.0 34.0 15.8 75.7 78 78 A A - 0 0 2 17,-3.4 2,-0.3 -2,-0.6 19,-0.2 -0.861 35.8-125.1-142.8 178.4 36.4 13.5 77.5 79 79 A K > - 0 0 108 -2,-0.3 3,-1.6 17,-0.1 4,-0.2 -0.944 62.7 -27.1-130.7 146.9 37.0 11.2 80.4 80 80 A G T > S- 0 0 53 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 -0.195 126.7 -3.6 56.1-134.6 39.6 11.1 83.1 81 81 A E T >> S+ 0 0 167 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.737 121.5 75.6 -64.7 -22.1 43.0 12.4 82.3 82 82 A K H <> S+ 0 0 58 -3,-1.6 4,-2.0 1,-0.3 -1,-0.3 0.699 85.4 66.5 -64.9 -15.1 42.0 13.1 78.7 83 83 A I H <> S+ 0 0 49 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.3 0.935 104.4 42.5 -68.7 -42.6 40.1 16.1 80.1 84 84 A K H <> S+ 0 0 128 -3,-0.8 4,-2.9 -4,-0.5 3,-0.4 0.966 112.0 54.0 -64.9 -51.2 43.5 17.6 81.0 85 85 A E H < S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.871 109.0 49.8 -51.0 -40.9 45.0 16.6 77.6 86 86 A A H ><>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 3,-0.8 0.878 111.4 46.8 -69.3 -38.3 42.1 18.4 75.9 87 87 A E H ><5S+ 0 0 113 -4,-1.7 3,-1.7 -3,-0.4 -2,-0.2 0.930 109.8 54.2 -69.2 -43.0 42.5 21.6 77.8 88 88 A E T 3<5S+ 0 0 154 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.436 103.8 57.8 -69.6 1.0 46.3 21.6 77.4 89 89 A A T < 5S- 0 0 15 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.495 124.0-100.6-106.4 -9.7 45.7 21.3 73.6 90 90 A G T < 5 + 0 0 39 -3,-1.7 -16,-0.2 -4,-0.3 -3,-0.2 0.494 56.5 169.0 106.5 4.3 43.7 24.5 73.5 91 91 A A < - 0 0 14 -5,-1.9 -1,-0.2 1,-0.2 3,-0.2 -0.266 34.7-138.2 -52.5 134.7 40.1 23.2 73.4 92 92 A D S S+ 0 0 61 -18,-0.8 2,-0.4 1,-0.3 -17,-0.2 0.847 89.8 13.6 -63.2 -36.9 37.8 26.3 74.0 93 93 A Y E S-g 75 0C 84 -19,-2.0 -17,-2.8 -7,-0.1 2,-0.4 -0.959 70.8-170.9-145.9 123.9 35.6 24.2 76.3 94 94 A V E +g 76 0C 32 -2,-0.4 2,-0.3 -3,-0.2 -17,-0.2 -0.957 19.1 156.6-117.7 131.9 36.5 20.8 77.8 95 95 A G E -g 77 0C 5 -19,-3.0 -17,-3.4 -2,-0.4 2,-0.2 -0.905 33.8-123.8-147.8 174.8 33.9 18.6 79.6 96 96 A G > - 0 0 5 -2,-0.3 3,-3.1 -19,-0.2 4,-0.4 -0.489 62.0 -71.0-107.9-177.2 32.8 15.2 80.8 97 97 A E G > S+ 0 0 81 1,-0.3 3,-0.9 -19,-0.2 4,-0.3 0.705 127.3 74.3 -50.2 -15.0 29.5 13.5 80.1 98 98 A E G 3 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.574 85.2 62.6 -76.4 -9.0 28.1 16.1 82.5 99 99 A I G <> S+ 0 0 30 -3,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.612 75.4 85.0 -91.2 -14.1 28.4 18.9 79.9 100 100 A I H <> S+ 0 0 5 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.851 88.0 61.1 -56.0 -27.9 25.9 17.3 77.5 101 101 A Q H > S+ 0 0 91 -3,-0.3 4,-2.9 -4,-0.3 5,-0.3 0.977 93.8 55.9 -62.4 -62.4 23.4 19.1 79.7 102 102 A K H >>S+ 0 0 111 -4,-0.4 4,-2.2 1,-0.3 5,-1.2 0.878 114.4 42.8 -35.9 -51.1 24.5 22.6 79.1 103 103 A I H <5S+ 0 0 6 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.910 111.1 54.3 -64.6 -44.2 24.1 22.0 75.4 104 104 A L H <5S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.814 113.1 45.8 -56.5 -32.6 20.8 20.2 76.0 105 105 A D H <5S- 0 0 126 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.834 136.3 -70.4 -84.9 -34.1 19.7 23.3 77.9 106 106 A G T <5S+ 0 0 46 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.088 81.6 132.5 174.7 -48.0 20.8 26.0 75.4 107 107 A W < + 0 0 63 -5,-1.2 -1,-0.2 1,-0.1 -2,-0.0 0.048 15.6 154.7 -31.5 120.2 24.5 26.4 75.2 108 108 A M + 0 0 75 1,-0.0 2,-1.2 3,-0.0 -1,-0.1 0.038 21.6 127.0-145.3 28.7 25.5 26.5 71.5 109 109 A D + 0 0 39 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.630 48.4 81.9 -96.4 80.3 28.7 28.4 71.3 110 110 A F - 0 0 9 -2,-1.2 -36,-0.2 1,-0.1 3,-0.1 -0.949 55.5-151.7-170.8 155.2 31.2 26.2 69.4 111 111 A D S S+ 0 0 63 -38,-2.9 2,-0.3 -2,-0.3 -37,-0.2 0.506 82.6 24.8-110.9 -13.7 32.1 25.3 65.8 112 112 A A E -f 74 0C 15 -39,-1.7 -37,-3.1 2,-0.0 2,-0.4 -0.995 59.7-156.8-153.1 150.9 33.4 21.7 66.4 113 113 A V E +f 75 0C 3 -2,-0.3 2,-0.3 23,-0.2 -37,-0.2 -0.992 11.9 179.5-132.7 137.5 33.0 18.9 68.8 114 114 A V E -f 76 0C 0 -39,-2.3 -37,-2.6 -2,-0.4 2,-0.3 -0.934 4.0-176.3-133.5 157.9 35.3 16.1 69.5 115 115 A A E -fh 77 145C 0 29,-2.0 31,-2.1 -2,-0.3 -37,-0.2 -0.990 28.0-113.4-153.4 158.9 35.2 13.2 71.9 116 116 A T > - 0 0 0 -39,-1.5 3,-1.5 -2,-0.3 4,-0.4 -0.567 40.5-110.5 -87.6 155.9 37.1 10.3 73.2 117 117 A P G > S+ 0 0 54 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.822 111.6 66.1 -56.6 -32.5 35.7 6.8 72.4 118 118 A D G 3 S+ 0 0 63 1,-0.2 -40,-0.1 2,-0.1 4,-0.1 0.298 103.0 43.0 -78.3 11.6 34.7 6.2 76.0 119 119 A V G X> S+ 0 0 1 -3,-1.5 4,-2.5 -42,-0.1 3,-0.6 0.314 85.0 98.3-128.5 -0.1 32.0 8.9 76.1 120 120 A X H <> S+ 0 0 43 -3,-1.1 4,-2.1 -4,-0.4 5,-0.2 0.733 73.3 63.7 -64.9 -22.0 30.5 8.2 72.7 121 121 A G H 3> S+ 0 0 61 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.927 112.6 35.3 -66.7 -42.6 27.7 6.1 74.2 122 122 A A H <> S+ 0 0 22 -3,-0.6 4,-3.1 2,-0.2 5,-0.4 0.951 116.9 51.6 -74.3 -54.1 26.4 9.2 76.0 123 123 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 5,-0.4 0.893 111.6 50.7 -49.7 -44.2 27.2 11.7 73.3 124 124 A G H X S+ 0 0 31 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.969 117.7 34.3 -61.3 -54.7 25.5 9.5 70.8 125 125 A S H < S+ 0 0 68 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.940 124.8 40.4 -70.1 -45.7 22.2 9.1 72.6 126 126 A K H < S+ 0 0 106 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.576 128.9 25.6 -82.9 -5.8 22.0 12.4 74.3 127 127 A X H >X>S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.4 3,-1.6 0.571 85.6 96.2-133.2 -12.5 23.2 14.6 71.4 128 128 A G H 3X5S+ 0 0 26 -4,-1.7 4,-0.7 -5,-0.4 9,-0.1 0.837 89.0 52.2 -50.9 -35.3 22.6 12.9 68.1 129 129 A R H 345S+ 0 0 197 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.703 118.3 35.7 -79.2 -15.6 19.4 14.9 67.6 130 130 A I H <>5S+ 0 0 36 -3,-1.6 4,-0.7 2,-0.1 -2,-0.2 0.886 130.1 26.7 -95.4 -62.9 21.0 18.2 68.2 131 131 A L H X>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 6,-0.6 0.829 114.0 66.2 -69.7 -35.4 24.5 17.9 66.7 132 132 A G H >< > - 0 0 53 1,-0.1 5,-1.9 -3,-0.1 3,-1.7 -0.942 45.8-126.2-160.5 136.1 32.4 10.4 64.3 140 140 A P G > 5S+ 0 0 96 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.877 111.0 59.2 -49.5 -43.0 35.6 8.5 63.5 141 141 A K G 3 5S+ 0 0 135 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.728 106.3 47.1 -61.1 -24.0 35.0 9.2 59.7 142 142 A A G < 5S- 0 0 7 -3,-1.7 -1,-0.3 20,-0.1 -82,-0.1 0.313 115.2-119.5 -98.5 5.8 35.1 12.9 60.4 143 143 A G T < 5S+ 0 0 17 -3,-2.0 -2,-0.1 -4,-0.3 -83,-0.0 0.737 83.4 116.7 64.2 23.6 38.2 12.4 62.5 144 144 A T < + 0 0 17 -5,-1.9 -29,-2.0 -7,-0.1 2,-0.4 0.314 57.0 68.5-107.8 11.0 36.4 13.8 65.5 145 145 A V B +h 115 0C 24 -6,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.995 64.2 108.0-126.8 132.6 36.5 10.7 67.8 146 146 A G - 0 0 9 -31,-2.1 3,-0.3 -2,-0.4 6,-0.1 -0.870 67.4-115.4 170.1 157.3 39.7 9.3 69.3 147 147 A F S S+ 0 0 104 -2,-0.3 2,-1.0 1,-0.2 3,-0.3 0.661 108.0 74.3 -80.7 -16.1 41.8 8.8 72.4 148 148 A N > + 0 0 68 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.267 63.2 148.4 -89.0 48.9 44.5 11.0 70.8 149 149 A I H > + 0 0 0 -2,-1.0 4,-2.7 -3,-0.3 -1,-0.2 0.823 62.4 55.3 -53.4 -40.3 42.1 13.9 71.6 150 150 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.945 109.7 47.3 -60.6 -46.4 44.9 16.4 72.2 151 151 A E H > S+ 0 0 106 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.898 111.3 50.1 -61.3 -44.1 46.3 15.8 68.7 152 152 A I H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.937 111.9 48.7 -61.0 -47.4 42.8 16.0 67.1 153 153 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.909 111.0 50.0 -59.8 -45.7 42.2 19.3 68.9 154 154 A R H X S+ 0 0 130 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.939 111.2 49.2 -59.9 -46.1 45.6 20.7 67.8 155 155 A E H <>S+ 0 0 47 -4,-2.6 5,-1.5 2,-0.2 -2,-0.2 0.899 112.4 47.3 -57.7 -46.6 45.0 19.7 64.2 156 156 A I H ><5S+ 0 0 16 -4,-2.4 3,-2.0 1,-0.2 4,-0.2 0.947 111.7 49.1 -63.0 -49.9 41.5 21.3 64.1 157 157 A K H 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.8 56.1 -59.1 -31.5 42.7 24.5 65.7 158 158 A A T 3<5S- 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -91,-0.2 0.346 130.8 -89.1 -85.0 6.7 45.5 24.5 63.1 159 159 A G T < 5 + 0 0 6 -3,-2.0 -95,-1.1 1,-0.2 2,-0.3 0.796 61.9 166.5 97.5 28.4 43.1 24.4 60.2 160 160 A R E < -E 63 0B 28 -5,-1.5 -97,-0.3 -97,-0.2 2,-0.3 -0.574 23.1-151.9 -75.1 137.1 42.4 20.7 59.4 161 161 A I E -E 62 0B 8 -99,-3.4 -99,-2.1 -2,-0.3 2,-0.3 -0.746 8.0-136.3-111.9 163.2 39.4 20.4 57.1 162 162 A E E -E 61 0B 84 -2,-0.3 2,-0.4 -101,-0.2 -101,-0.2 -0.821 17.8-170.8-109.0 150.9 36.8 17.8 56.4 163 163 A F E +E 60 0B 2 -103,-2.5 -103,-2.4 -2,-0.3 2,-0.3 -0.992 10.8 166.3-144.7 138.4 35.6 16.7 53.0 164 164 A R E -E 59 0B 136 -2,-0.4 8,-0.4 8,-0.3 -105,-0.2 -0.933 36.5-116.3-152.6 124.2 32.7 14.5 52.0 165 165 A N - 0 0 8 -107,-2.1 6,-0.2 -2,-0.3 2,-0.1 -0.246 30.8-126.4 -60.3 149.8 31.2 14.1 48.6 166 166 A D > - 0 0 53 4,-3.1 3,-1.9 1,-0.1 -1,-0.1 -0.373 34.9 -90.1 -89.8 177.9 27.6 15.2 48.2 167 167 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.650 124.6 59.0 -67.7 -9.9 24.9 13.0 46.7 168 168 A T T 3 S- 0 0 76 2,-0.2 -1,-0.3 -117,-0.1 3,-0.1 0.500 119.3-105.3 -94.3 -2.7 25.6 14.2 43.2 169 169 A G S < S+ 0 0 1 -3,-1.9 -122,-2.6 1,-0.4 2,-0.2 0.541 82.5 122.8 94.4 4.0 29.2 13.0 43.3 170 170 A A E -B 46 0A 18 -124,-0.2 -4,-3.1 -6,-0.0 -1,-0.4 -0.654 43.5-159.5 -95.9 156.1 30.7 16.5 43.6 171 171 A I E -B 45 0A 0 -126,-2.5 -126,-2.5 -6,-0.2 2,-0.3 -0.991 7.0-171.3-138.7 148.1 33.0 17.5 46.6 172 172 A H E +B 44 0A 78 -8,-0.4 -8,-0.3 -2,-0.3 -128,-0.2 -0.986 7.0 171.9-143.2 148.2 33.9 20.9 48.1 173 173 A A E -B 43 0A 5 -130,-1.9 -130,-2.3 -2,-0.3 2,-0.3 -0.978 32.2-121.6-156.7 142.9 36.3 22.4 50.6 174 174 A P E +B 42 0A 51 0, 0.0 -132,-0.3 0, 0.0 3,-0.1 -0.609 29.0 177.5 -74.4 140.7 37.5 25.8 51.9 175 175 A V E - 0 0 0 -134,-3.4 2,-0.3 1,-0.3 -133,-0.2 0.352 52.2 -46.5-131.9 7.1 41.3 26.0 51.5 176 176 A G E -B 41 0A 0 -135,-0.8 -135,-2.7 -108,-0.2 -1,-0.3 -0.973 64.4 -67.3 156.6-171.2 42.3 29.4 52.7 177 177 A K E > -B 40 0A 35 -2,-0.3 3,-2.0 -137,-0.3 -137,-0.2 -0.847 37.9-118.9-112.3 155.0 41.5 33.2 52.7 178 178 A A T 3 S+ 0 0 9 -139,-2.9 -138,-0.1 -2,-0.3 -145,-0.1 0.673 113.0 65.1 -65.9 -13.5 41.9 35.5 49.7 179 179 A S T 3 S+ 0 0 73 -140,-0.3 -1,-0.3 2,-0.1 -139,-0.1 0.571 77.5 111.2 -83.9 -11.2 44.5 37.5 51.7 180 180 A F S < S- 0 0 24 -3,-2.0 -150,-0.1 1,-0.1 -4,-0.0 -0.297 82.6-103.4 -61.1 149.0 46.8 34.5 51.8 181 181 A P >> - 0 0 65 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.533 34.9-113.9 -71.4 143.5 50.0 34.9 49.7 182 182 A P H 3> S+ 0 0 21 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 114.8 58.4 -45.2 -44.7 49.7 32.9 46.5 183 183 A E H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.844 107.0 46.9 -57.1 -39.3 52.4 30.5 47.5 184 184 A K H <> S+ 0 0 89 -3,-1.2 4,-2.3 2,-0.2 -118,-0.2 0.869 110.7 51.5 -73.4 -37.6 50.5 29.5 50.6 185 185 A L H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.946 108.5 52.3 -61.7 -47.2 47.2 29.1 48.7 186 186 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 109.1 50.7 -54.5 -45.0 49.0 26.8 46.2 187 187 A D H X S+ 0 0 61 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.912 113.4 44.5 -60.3 -45.3 50.4 24.8 49.1 188 188 A N H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.951 111.9 51.7 -66.4 -45.4 46.9 24.4 50.6 189 189 A I H X S+ 0 0 1 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.936 110.9 48.2 -56.3 -46.6 45.2 23.6 47.3 190 190 A R H X S+ 0 0 45 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.872 108.4 54.1 -63.0 -38.3 47.7 20.9 46.5 191 191 A A H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.920 108.6 48.9 -62.0 -44.8 47.4 19.3 50.0 192 192 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.944 112.2 49.3 -59.4 -47.5 43.6 19.1 49.5 193 193 A I H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.922 110.8 48.0 -59.9 -46.1 44.0 17.5 46.1 194 194 A R H X S+ 0 0 140 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.924 110.6 53.1 -63.0 -40.4 46.5 14.9 47.3 195 195 A A H < S+ 0 0 13 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.931 110.0 49.2 -57.8 -45.5 44.2 14.1 50.2 196 196 A L H >< S+ 0 0 2 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.944 110.6 47.2 -58.8 -52.6 41.4 13.6 47.6 197 197 A E H >< S+ 0 0 75 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.861 105.3 62.0 -60.5 -31.0 43.4 11.3 45.4 198 198 A A T 3< S+ 0 0 81 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.664 105.8 47.9 -68.3 -13.4 44.4 9.5 48.6 199 199 A H T < S+ 0 0 72 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.247 72.6 137.6-110.5 11.9 40.7 8.7 49.0 200 200 A K < - 0 0 95 -3,-1.6 -143,-0.1 -4,-0.1 -151,-0.1 -0.408 62.7-113.9 -57.3 125.9 39.9 7.5 45.5 201 201 A P > - 0 0 12 0, 0.0 3,-0.7 0, 0.0 -145,-0.1 -0.347 16.1-123.3 -63.4 145.7 37.7 4.4 46.2 202 202 A E T 3 S+ 0 0 207 1,-0.2 -146,-0.1 -147,-0.2 -2,-0.1 0.851 110.9 41.4 -58.1 -35.9 39.2 1.1 45.1 203 203 A G T 3 S+ 0 0 26 -148,-0.4 -1,-0.2 2,-0.1 -147,-0.1 0.601 81.6 125.0 -90.0 -10.6 36.2 0.4 42.9 204 204 A A < - 0 0 9 -3,-0.7 2,-0.4 -149,-0.2 -155,-0.2 -0.183 53.5-138.9 -50.2 137.3 35.6 3.8 41.4 205 205 A K - 0 0 158 2,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.812 51.8 -5.1-107.7 143.6 35.7 3.6 37.6 206 206 A G S S- 0 0 52 -2,-0.4 -158,-0.1 4,-0.0 2,-0.1 -0.249 111.7 -3.7 79.7-166.7 37.2 6.0 35.2 207 207 A T - 0 0 92 1,-0.1 3,-0.3 -160,-0.1 -2,-0.1 -0.379 58.2-157.0 -61.8 131.5 38.9 9.3 35.8 208 208 A F S S+ 0 0 13 1,-0.3 -160,-1.9 -161,-0.1 2,-1.7 0.978 87.4 44.5 -75.5 -60.1 38.7 10.2 39.5 209 209 A L E +C 47 0A 16 1,-0.2 -1,-0.3 -162,-0.2 -162,-0.2 -0.597 69.2 170.3 -86.2 79.7 39.2 13.9 39.3 210 210 A R E - 0 0 110 -2,-1.7 2,-0.3 -164,-1.2 -1,-0.2 0.891 69.8 -5.2 -58.0 -43.1 36.8 14.6 36.4 211 211 A S E -C 46 0A 26 -165,-1.2 -165,-2.1 -3,-0.2 2,-0.4 -0.985 64.3-164.4-154.4 144.2 37.0 18.3 36.9 212 212 A V E +C 45 0A 2 12,-0.5 12,-2.4 -2,-0.3 2,-0.3 -0.990 9.8 179.7-133.8 140.4 38.5 20.6 39.4 213 213 A Y E -CD 44 223A 75 -169,-2.7 -169,-2.3 -2,-0.4 2,-0.4 -0.958 17.7-151.3-137.6 157.9 38.0 24.3 40.1 214 214 A V E +CD 43 222A 4 8,-2.5 8,-2.1 -2,-0.3 2,-0.3 -0.968 30.0 150.1-125.0 142.1 39.1 27.1 42.4 215 215 A T E -C 42 0A 15 -173,-2.3 -173,-2.7 -2,-0.4 2,-0.3 -0.866 34.9-117.4-154.7-175.5 36.9 30.0 43.4 216 216 A T E -C 41 0A 3 4,-0.4 3,-0.4 -2,-0.3 -175,-0.2 -0.831 41.7 -91.0-128.2 169.1 36.2 32.5 46.2 217 217 A T S S+ 0 0 47 -177,-1.3 -176,-0.1 -2,-0.3 -184,-0.1 0.819 121.2 11.2 -51.2 -37.6 33.2 33.1 48.5 218 218 A X S S+ 0 0 95 -186,-0.2 -1,-0.2 -178,-0.1 -185,-0.1 0.339 112.7 80.2-128.5 10.1 31.7 35.6 46.1 219 219 A G S S- 0 0 11 -3,-0.4 -3,-0.2 1,-0.2 -186,-0.1 -0.425 78.8 -83.4-109.3-173.4 33.6 35.5 42.8 220 220 A P - 0 0 6 0, 0.0 -4,-0.4 0, 0.0 2,-0.2 -0.189 47.5-102.7 -79.4 177.7 33.7 33.4 39.6 221 221 A S - 0 0 60 -6,-0.2 2,-0.4 -207,-0.0 -6,-0.2 -0.615 16.9-153.4-107.6 165.8 35.5 30.2 39.1 222 222 A V E - D 0 214A 5 -8,-2.1 -8,-2.5 -2,-0.2 2,-0.3 -0.999 18.7-134.3-134.4 124.8 38.7 29.0 37.4 223 223 A R E -aD 19 213A 94 -205,-0.6 -203,-2.8 -2,-0.4 2,-0.3 -0.629 30.4-167.7 -81.7 143.0 39.2 25.5 36.1 224 224 A I E -a 20 0A 2 -12,-2.4 -12,-0.5 -2,-0.3 -203,-0.2 -0.888 31.3-115.6-131.1 162.1 42.5 24.0 37.0 225 225 A N > - 0 0 71 -205,-2.2 3,-1.7 -2,-0.3 -203,-0.5 -0.857 28.0-152.7 -92.5 108.2 44.7 21.1 36.2 226 226 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -33,-0.1 0.756 90.5 57.7 -55.0 -25.0 44.8 19.2 39.6 227 227 A H T 3 0 0 126 -3,-0.1 -206,-0.1 -34,-0.0 -37,-0.0 0.114 360.0 360.0 -96.9 26.5 48.2 17.8 38.7 228 228 A S < 0 0 48 -3,-1.7 -207,-0.0 -208,-0.1 -208,-0.0 -0.266 360.0 360.0-102.8 360.0 50.0 21.1 38.2