==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-08 2VSF . COMPND 2 MOLECULE: DNA REPAIR HELICASE RAD3 RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR J.KUPER,S.C.WOLSKI,J.J.TRUGLIO,C.KISKER . 588 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.1 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 41 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 0 0 2 2 1 2 2 3 1 2 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 2 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 . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 23 A Y 0 0 97 0, 0.0 355,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -6.2 -55.1 29.4 16.4 2 24 A G E -a 356 0A 7 353,-0.2 2,-0.3 374,-0.2 355,-0.2 -0.964 360.0-151.6-154.1 168.3 -52.1 28.3 14.3 3 25 A V E -a 357 0A 52 353,-0.6 355,-3.7 -2,-0.3 2,-0.5 -0.979 10.0-150.6-145.9 136.2 -50.7 26.2 11.5 4 26 A A E -ab 358 379A 0 374,-2.0 376,-2.7 -2,-0.3 2,-0.3 -0.939 18.7-172.3-109.9 124.2 -47.3 24.7 10.9 5 27 A L E -ab 359 380A 14 353,-2.1 355,-1.2 -2,-0.5 356,-0.6 -0.885 13.2-156.4-117.3 146.4 -46.1 24.2 7.3 6 28 A E + 0 0 8 374,-0.9 353,-0.1 -2,-0.3 -2,-0.0 -0.962 14.4 176.1-122.0 114.4 -43.0 22.5 5.8 7 29 A S - 0 0 11 -2,-0.5 376,-0.2 376,-0.0 3,-0.1 -0.960 41.3-105.3-112.7 130.9 -41.7 23.5 2.4 8 30 A P - 0 0 50 0, 0.0 5,-0.1 0, 0.0 376,-0.1 -0.367 65.8 -80.4 -49.1 133.6 -38.5 22.1 0.9 9 31 A T S S+ 0 0 7 534,-0.3 352,-0.1 352,-0.2 532,-0.0 0.297 80.2 27.5 -56.4 156.2 -36.0 24.8 1.4 10 32 A G S S+ 0 0 15 -3,-0.1 531,-0.0 2,-0.0 0, 0.0 0.749 96.9 16.7 83.6 131.7 -35.1 28.1 -0.4 11 33 A S S S+ 0 0 101 1,-0.2 33,-0.0 33,-0.1 533,-0.0 0.926 119.3 47.9 39.3 77.3 -36.8 30.7 -2.6 12 34 A G S >> S+ 0 0 15 -5,-0.0 4,-3.4 0, 0.0 3,-0.6 -0.034 72.6 101.2 159.6 -41.9 -40.4 29.9 -1.8 13 35 A K T 34 S+ 0 0 20 1,-0.3 4,-0.5 2,-0.2 347,-0.1 0.795 97.5 31.2 -35.0 -47.7 -40.7 29.6 2.0 14 36 A T T 3> S+ 0 0 4 2,-0.2 4,-1.3 30,-0.2 -1,-0.3 0.668 116.6 55.8 -96.0 -20.4 -42.2 33.2 2.4 15 37 A I H <> S+ 0 0 31 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.882 107.7 51.0 -70.7 -43.4 -44.0 33.3 -1.0 16 38 A M H X S+ 0 0 58 -4,-3.4 4,-1.0 2,-0.2 -2,-0.2 0.801 103.5 63.0 -60.1 -31.3 -45.8 30.1 0.0 17 39 A A H >4 S+ 0 0 0 -4,-0.5 3,-0.8 -5,-0.4 -2,-0.2 0.969 108.6 35.9 -61.7 -58.1 -46.7 31.9 3.3 18 40 A L H 3X S+ 0 0 20 -4,-1.3 4,-0.5 1,-0.3 -1,-0.2 0.801 116.8 56.4 -65.8 -27.9 -48.8 34.7 1.8 19 41 A K H 3< S+ 0 0 156 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.673 119.4 31.4 -72.8 -19.7 -50.0 32.0 -0.7 20 42 A S T << S+ 0 0 28 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.183 126.1 47.3-114.9 10.8 -51.0 30.0 2.4 21 43 A A T 4 S+ 0 0 5 -3,-0.2 4,-0.3 -4,-0.1 -2,-0.2 0.100 73.2 94.0-142.2 22.4 -51.8 33.1 4.4 22 44 A L < + 0 0 122 -4,-0.5 4,-0.4 -5,-0.1 2,-0.1 0.561 68.2 106.0 -77.4 -15.9 -53.9 35.3 2.1 23 45 A Q S S- 0 0 124 -5,-0.1 2,-1.7 2,-0.1 -3,-0.1 -0.482 103.2 -11.7 -51.5 132.7 -56.4 33.3 4.1 24 46 A Y S > S+ 0 0 83 -2,-0.1 3,-2.4 1,-0.1 2,-1.4 -0.545 99.0 129.3 61.8 -86.0 -57.7 36.0 6.5 25 47 A S T 3 S- 0 0 13 -2,-1.7 -2,-0.1 -4,-0.3 -1,-0.1 -0.195 89.6 -11.2 41.5 -77.6 -55.0 38.6 5.6 26 48 A S T > S+ 0 0 101 -2,-1.4 3,-0.9 -4,-0.4 -1,-0.3 0.452 116.5 80.3-130.9 -5.0 -57.2 41.6 4.9 27 49 A E T < S+ 0 0 151 -3,-2.4 -2,-0.1 1,-0.2 -4,-0.0 0.758 103.8 40.4 -76.7 -25.0 -60.9 40.4 4.7 28 50 A R T 3 S- 0 0 107 -4,-0.4 -1,-0.2 155,-0.0 2,-0.2 -0.279 121.6-102.3-114.3 43.0 -61.1 40.5 8.5 29 51 A K S < S+ 0 0 112 -3,-0.9 -3,-0.1 1,-0.2 -2,-0.1 0.194 71.0 158.8 64.8 -15.7 -59.1 43.7 9.0 30 52 A L - 0 0 18 -2,-0.2 2,-0.4 154,-0.1 154,-0.2 0.188 34.8-141.1 -56.6 151.6 -56.0 41.6 10.0 31 53 A K E -c 184 0A 6 152,-1.4 154,-2.5 125,-0.0 2,-0.7 -0.862 12.8-132.6-106.3 144.7 -52.4 42.7 9.9 32 54 A V E -cd 185 156A 9 123,-1.8 125,-2.1 -2,-0.4 2,-0.4 -0.885 22.6-170.3-101.3 113.9 -49.6 40.4 8.7 33 55 A L E -cd 186 157A 0 152,-3.7 154,-3.6 -2,-0.7 2,-0.6 -0.888 6.9-158.0-103.8 133.9 -46.6 40.5 11.1 34 56 A Y E -cd 187 158A 0 123,-3.1 125,-3.1 -2,-0.4 2,-0.4 -0.948 6.1-162.6-114.1 111.3 -43.3 38.8 10.0 35 57 A L E -cd 188 159A 0 152,-2.0 154,-1.7 -2,-0.6 2,-0.3 -0.776 12.0-179.1 -93.8 137.3 -41.0 37.9 12.9 36 58 A V E - d 0 160A 3 123,-1.7 125,-1.3 -2,-0.4 126,-0.2 -0.989 21.7-153.3-138.9 143.4 -37.4 37.1 11.9 37 59 A R S S+ 0 0 91 -2,-0.3 -1,-0.2 123,-0.2 2,-0.2 0.979 77.5 26.1 -81.8 -72.6 -34.4 36.1 14.0 38 60 A T S > S- 0 0 43 1,-0.1 4,-1.6 122,-0.1 3,-0.2 -0.498 76.8-121.2 -90.5 159.7 -31.2 37.3 12.3 39 61 A N H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.737 111.3 65.3 -72.4 -21.8 -31.0 40.2 9.9 40 62 A S H > S+ 0 0 28 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.920 104.7 43.2 -62.4 -45.7 -29.7 37.8 7.2 41 63 A Q H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.896 104.9 66.1 -66.2 -42.3 -33.1 36.0 7.2 42 64 A E H >X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 3,-0.7 0.920 104.4 43.5 -41.7 -55.5 -34.9 39.3 7.3 43 65 A E H 3X S+ 0 0 60 -4,-1.6 4,-2.8 1,-0.3 -1,-0.2 0.776 106.6 59.4 -71.3 -26.4 -33.6 40.2 3.8 44 66 A Q H 3X S+ 0 0 85 -4,-1.1 4,-0.6 -3,-0.4 -1,-0.3 0.796 112.1 43.2 -68.4 -27.3 -34.3 36.8 2.4 45 67 A V H X S+ 0 0 21 -4,-0.6 4,-2.1 -3,-0.5 3,-0.5 0.972 111.6 48.0 -67.5 -56.7 -39.3 37.6 -1.6 49 71 A L H 3X S+ 0 0 3 -4,-2.5 4,-0.9 1,-0.3 -2,-0.2 0.856 110.1 55.2 -49.7 -40.1 -41.9 40.2 -0.6 50 72 A R H 3X S+ 0 0 57 -4,-3.1 4,-0.5 -5,-0.2 3,-0.3 0.885 106.4 50.7 -61.0 -40.6 -40.2 42.6 -3.1 51 73 A S H X< S+ 0 0 74 -4,-1.4 3,-0.7 -3,-0.5 4,-0.3 0.918 112.8 44.7 -64.6 -44.4 -40.6 40.0 -5.9 52 74 A L H >X S+ 0 0 34 -4,-2.1 4,-1.7 1,-0.2 3,-0.6 0.580 90.9 86.0 -77.9 -10.4 -44.3 39.5 -5.2 53 75 A S H 3< S+ 0 0 62 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.875 90.7 48.7 -57.1 -38.3 -44.9 43.3 -4.9 54 76 A S T << S+ 0 0 108 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.705 104.5 61.7 -75.7 -21.9 -45.4 43.5 -8.7 55 77 A T T <4 S- 0 0 89 -3,-0.6 2,-0.3 -4,-0.3 -2,-0.2 0.997 124.5 -24.3 -61.5 -65.7 -47.8 40.6 -8.6 56 78 A M S < S- 0 0 149 -4,-1.7 -1,-0.3 2,-0.0 2,-0.0 -0.916 86.4 -61.7-147.6 169.9 -50.3 42.3 -6.4 57 79 A K + 0 0 127 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.269 52.7 156.5 -62.3 130.7 -50.6 45.1 -3.8 58 80 A I - 0 0 46 -5,-0.1 2,-0.8 65,-0.1 96,-0.0 -0.881 25.8-157.9-155.4 124.6 -48.7 44.8 -0.5 59 81 A R + 0 0 124 -2,-0.3 97,-2.6 2,-0.0 96,-1.0 -0.845 27.9 169.0-107.6 97.1 -47.6 47.7 1.8 60 82 A A E +e 156 0A 3 -2,-0.8 97,-0.2 63,-0.3 66,-0.1 -0.814 15.0 176.0-114.5 146.0 -44.7 46.5 3.9 61 83 A I E -e 157 0A 0 95,-1.2 97,-1.6 -2,-0.3 2,-0.2 -0.988 29.7-122.0-142.3 141.6 -42.2 48.2 6.2 62 84 A P E -e 158 0A 0 0, 0.0 2,-0.4 0, 0.0 97,-0.2 -0.583 29.3-161.5 -75.9 145.0 -39.5 46.8 8.4 63 85 A M + 0 0 1 95,-2.3 2,-0.3 -2,-0.2 100,-0.1 -0.998 17.8 157.6-132.0 131.9 -39.8 47.7 12.1 64 86 A Q - 0 0 22 -2,-0.4 83,-0.1 95,-0.2 2,-0.0 -0.963 38.9 -93.3-145.1 161.7 -37.1 47.6 14.8 65 87 A G >> - 0 0 12 -2,-0.3 4,-3.3 1,-0.1 3,-2.3 -0.298 36.2-106.1 -74.8 159.4 -36.5 49.2 18.2 66 88 A R H 3> S+ 0 0 23 1,-0.3 4,-2.7 2,-0.3 7,-0.1 0.845 116.7 73.8 -45.0 -40.1 -34.6 52.3 19.0 67 89 A V H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.834 118.4 17.3 -48.3 -34.4 -31.9 50.0 20.4 68 90 A N H <4 S+ 0 0 74 -3,-2.3 -2,-0.3 1,-0.0 -1,-0.2 0.776 133.3 42.9-100.5 -40.5 -31.2 49.3 16.7 69 91 A M H < S+ 0 0 6 -4,-3.3 75,-1.2 74,-0.1 2,-0.5 0.503 84.3 98.4 -96.2 -7.1 -32.9 52.2 14.8 70 92 A C < - 0 0 10 -4,-2.7 4,-0.2 -5,-0.3 72,-0.0 -0.728 47.0-175.8 -81.6 123.9 -31.9 55.2 16.9 71 93 A I S > S+ 0 0 2 -2,-0.5 3,-1.2 2,-0.1 4,-0.4 0.911 72.6 58.2 -83.3 -47.4 -28.9 56.9 15.3 72 94 A L T >> S+ 0 0 17 1,-0.2 3,-1.9 2,-0.2 4,-1.9 0.830 90.4 69.1 -53.6 -41.9 -28.2 59.6 17.8 73 95 A Y H 3> S+ 0 0 24 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.673 93.3 56.7 -66.3 -20.3 -27.6 57.5 20.9 74 96 A R H <4 S+ 0 0 73 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.665 112.4 41.4 -81.3 -19.2 -24.3 56.0 19.7 75 97 A M H <4 S+ 0 0 116 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.1 0.868 116.2 46.7 -87.2 -47.8 -22.6 59.4 19.2 76 98 A V H < S- 0 0 61 -4,-1.9 2,-0.3 1,-0.1 -2,-0.2 0.845 132.2 -5.9 -65.7 -37.8 -23.9 61.1 22.3 77 99 A D < - 0 0 25 -4,-1.3 2,-0.2 -5,-0.3 -1,-0.1 -0.913 56.0-151.6-145.9 171.0 -23.1 58.1 24.5 78 100 A D + 0 0 109 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.626 22.4 174.2-153.1 93.4 -21.7 54.5 24.2 79 101 A L - 0 0 34 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.668 34.7-134.5-100.4 152.5 -22.8 52.0 26.9 80 102 A H S S+ 0 0 144 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.610 94.5 29.4 -85.5 -15.2 -22.1 48.3 26.9 81 103 A E S S+ 0 0 39 223,-0.0 2,-0.3 129,-0.0 -1,-0.1 -0.971 72.7 156.9-136.8 155.5 -25.7 47.5 27.9 82 104 A I - 0 0 38 -2,-0.3 2,-0.3 -3,-0.0 3,-0.0 -0.961 18.5-151.5-163.0 167.2 -28.9 49.4 27.1 83 105 A N > - 0 0 56 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.988 32.9-107.3-151.8 165.2 -32.7 49.0 26.8 84 106 A A H > S+ 0 0 32 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.791 112.9 60.0 -58.5 -36.3 -35.8 50.4 25.0 85 107 A E H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.964 106.8 43.6 -56.3 -56.0 -37.1 52.1 28.2 86 108 A S H > S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.880 112.5 52.9 -66.0 -38.4 -34.0 54.3 28.6 87 109 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.3 0.823 105.1 57.3 -63.5 -32.5 -33.9 55.2 24.9 88 110 A A H X S+ 0 0 28 -4,-1.8 4,-3.1 -3,-0.4 5,-0.3 0.994 111.1 40.3 -58.2 -62.3 -37.6 56.3 25.2 89 111 A K H X S+ 0 0 51 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.935 117.2 51.4 -51.1 -51.9 -36.9 58.8 27.9 90 112 A F H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.936 115.7 39.5 -49.2 -56.4 -33.7 59.9 26.1 91 113 A C H X S+ 0 0 15 -4,-2.9 4,-3.0 1,-0.2 3,-0.3 0.914 110.3 56.5 -67.8 -49.1 -35.4 60.4 22.8 92 114 A N H X S+ 0 0 75 -4,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.861 108.8 49.8 -50.6 -39.4 -38.6 62.0 24.0 93 115 A M H X S+ 0 0 21 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.3 0.870 110.1 49.9 -67.7 -39.0 -36.5 64.6 25.7 94 116 A K H X S+ 0 0 21 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.911 109.5 50.5 -64.9 -44.7 -34.5 65.2 22.5 95 117 A K H X S+ 0 0 34 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.844 108.4 55.0 -60.6 -34.0 -37.7 65.6 20.5 96 118 A R H X S+ 0 0 144 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.971 108.4 46.6 -59.6 -55.6 -38.8 68.1 23.2 97 119 A E H X>S+ 0 0 67 -4,-2.2 5,-2.9 2,-0.2 4,-1.0 0.809 115.4 46.8 -59.8 -34.6 -35.6 70.2 22.7 98 120 A V H ><5S+ 0 0 15 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.970 114.7 44.6 -70.8 -54.5 -36.1 70.1 18.9 99 121 A M H 3<5S+ 0 0 145 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.802 111.0 56.7 -60.7 -30.7 -39.8 71.0 19.0 100 122 A A H 3<5S- 0 0 89 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.793 135.0 -81.2 -68.2 -30.9 -39.0 73.7 21.6 101 123 A G T <<5S+ 0 0 56 -4,-1.0 2,-1.1 -3,-0.9 -3,-0.2 0.261 100.0 104.6 150.0 -17.5 -36.5 75.3 19.2 102 124 A N > < + 0 0 87 -5,-2.9 3,-1.3 1,-0.2 4,-0.4 -0.688 33.4 172.0 -97.0 84.7 -33.1 73.5 19.2 103 125 A E G > S+ 0 0 147 -2,-1.1 3,-0.7 1,-0.3 6,-0.3 0.795 77.1 64.7 -59.6 -31.4 -33.0 71.5 16.0 104 126 A A G 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 4,-0.1 0.801 79.4 84.6 -60.8 -30.2 -29.4 70.7 16.7 105 127 A A G < S- 0 0 18 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.876 119.4 -3.9 -38.6 -56.4 -30.5 68.7 19.8 106 128 A C S X S- 0 0 14 -3,-0.7 3,-1.6 -4,-0.4 -1,-0.3 -0.853 70.1-164.5-138.8 106.0 -31.2 65.8 17.5 107 129 A P T 3 S+ 0 0 59 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.501 84.6 66.3 -71.6 -0.3 -30.5 66.6 13.8 108 130 A Y T 3 S+ 0 0 31 33,-0.1 34,-3.3 1,-0.1 2,-0.7 0.416 81.7 84.8 -97.7 1.5 -32.4 63.4 12.7 109 131 A F < + 0 0 26 -3,-1.6 2,-0.2 -6,-0.3 -3,-0.2 -0.884 65.6 99.7-111.4 103.1 -35.9 64.7 14.0 110 132 A N S > S- 0 0 51 -2,-0.7 3,-1.8 32,-0.1 4,-0.3 -0.852 86.7 -55.4-164.1-173.9 -37.5 66.9 11.3 111 133 A F G > S+ 0 0 153 1,-0.3 3,-2.1 -2,-0.2 4,-0.4 0.803 115.8 74.7 -53.6 -32.8 -40.1 67.1 8.5 112 134 A K G > S+ 0 0 59 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.692 78.4 73.2 -60.0 -21.4 -38.5 64.2 6.6 113 135 A I G < S+ 0 0 15 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.814 112.5 27.3 -59.2 -28.8 -39.9 61.6 9.1 114 136 A R G < S+ 0 0 180 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.302 95.9 123.6-114.9 6.4 -43.3 62.2 7.5 115 137 A S <> - 0 0 24 -3,-0.5 4,-2.4 -4,-0.4 5,-0.2 -0.293 67.6-123.7 -78.6 155.4 -42.4 63.3 3.9 116 138 A D H > S+ 0 0 122 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.906 111.6 58.4 -57.6 -44.8 -43.5 61.6 0.7 117 139 A E H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 110.6 41.6 -52.6 -49.7 -39.8 61.1 -0.3 118 140 A T H > S+ 0 0 3 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 117.1 46.6 -63.6 -51.0 -39.1 59.0 2.8 119 141 A K H X S+ 0 0 44 -4,-2.4 4,-1.7 1,-0.2 5,-0.3 0.812 108.3 56.9 -66.9 -31.0 -42.4 57.1 2.7 120 142 A R H X>S+ 0 0 149 -4,-3.2 4,-3.3 -5,-0.2 5,-0.6 0.964 106.9 49.3 -60.2 -51.2 -41.9 56.4 -1.0 121 143 A F H X>S+ 0 0 36 -4,-1.9 4,-1.4 -5,-0.2 5,-1.1 0.926 109.4 52.4 -52.8 -49.2 -38.6 54.7 -0.2 122 144 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.859 124.5 23.4 -57.8 -39.9 -40.1 52.6 2.6 123 145 A F H <5S+ 0 0 45 -4,-1.7 -63,-0.3 -3,-0.3 -2,-0.2 0.830 123.4 47.1 -99.2 -39.7 -43.0 51.2 0.4 124 146 A D H <5S+ 0 0 121 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.761 131.5 21.2 -79.4 -25.2 -41.8 51.4 -3.2 125 147 A E T < - 0 0 6 1,-0.1 4,-2.3 -67,-0.1 5,-0.2 -0.328 39.1-103.9 -76.0 174.0 -34.3 46.0 5.3 129 151 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.907 125.5 49.5 -68.0 -41.8 -33.9 47.7 8.6 130 152 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 113.6 47.4 -62.1 -40.6 -30.2 47.9 8.2 131 153 A E H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.859 112.1 48.3 -68.8 -37.4 -30.8 49.3 4.7 132 154 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.802 107.8 56.2 -76.6 -28.1 -33.3 51.9 6.0 133 155 A Y H X S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.959 107.6 48.3 -59.8 -51.5 -30.9 52.8 8.7 134 156 A D H X S+ 0 0 66 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.918 110.4 51.9 -57.1 -44.5 -28.3 53.6 6.1 135 157 A Y H X S+ 0 0 19 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.980 111.7 46.6 -51.5 -58.5 -30.9 55.6 4.1 136 158 A G H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.6 0.859 110.2 54.5 -53.8 -41.3 -31.7 57.6 7.3 137 159 A E H ><5S+ 0 0 84 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.961 114.0 38.0 -58.3 -55.5 -28.0 58.1 8.1 138 160 A R H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 119.4 48.8 -70.6 -28.4 -27.1 59.7 4.7 139 161 A N H 3<5S- 0 0 39 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.394 106.6-124.5 -91.7 3.3 -30.4 61.6 4.5 140 162 A N T <<5 + 0 0 86 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.947 69.5 125.6 51.2 54.8 -30.1 63.0 8.0 141 163 A V < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.984 67.8-106.9-145.3 130.7 -33.5 61.6 9.0 142 164 A C > - 0 0 17 -34,-3.3 4,-1.7 -2,-0.3 5,-0.1 -0.372 21.9-157.1 -64.3 120.6 -34.3 59.3 12.0 143 165 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.942 88.4 50.5 -59.8 -49.9 -35.0 55.7 10.8 144 166 A Y H > S+ 0 0 17 -75,-1.2 4,-2.5 1,-0.2 5,-0.3 0.964 112.0 43.9 -57.9 -59.4 -37.1 54.7 13.9 145 167 A E H > S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.885 113.2 54.7 -55.0 -39.1 -39.5 57.6 13.9 146 168 A S H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.922 108.7 47.2 -58.8 -46.0 -39.8 57.2 10.2 147 169 A M H X S+ 0 0 0 -4,-2.6 4,-1.7 -3,-0.3 3,-0.2 0.970 113.9 46.6 -60.2 -53.8 -40.8 53.5 10.6 148 170 A K H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 112.3 52.4 -57.1 -32.0 -43.3 54.4 13.3 149 171 A A H < S+ 0 0 14 -4,-2.1 -1,-0.2 -5,-0.3 4,-0.2 0.878 114.5 40.8 -70.6 -39.7 -44.6 57.2 11.1 150 172 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 -3,-0.2 -2,-0.2 0.636 98.8 83.7 -80.5 -17.6 -45.1 54.8 8.2 151 173 A L G >< S+ 0 0 2 -4,-1.7 3,-2.4 1,-0.2 -1,-0.2 0.873 79.7 56.7 -57.6 -48.4 -46.5 52.1 10.4 152 174 A P G 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.769 110.7 46.2 -64.5 -24.5 -50.2 53.0 10.7 153 175 A D G < S+ 0 0 100 -3,-0.7 2,-0.5 -4,-0.2 -2,-0.2 0.092 94.7 103.4 -98.5 20.2 -50.6 53.0 6.9 154 176 A A < - 0 0 0 -3,-2.4 -94,-0.2 1,-0.1 3,-0.1 -0.906 47.2-173.1-108.8 126.2 -48.7 49.6 6.6 155 177 A D S S+ 0 0 58 -96,-1.0 -123,-1.8 -2,-0.5 2,-0.3 0.836 78.5 37.4 -80.1 -36.2 -50.6 46.4 6.1 156 178 A I E -de 32 60A 8 -97,-2.6 -95,-1.2 -125,-0.2 2,-0.4 -0.899 66.5-172.2-120.7 146.5 -47.5 44.2 6.5 157 179 A V E -de 33 61A 0 -125,-2.1 -123,-3.1 -2,-0.3 2,-0.6 -0.997 12.1-154.9-142.2 135.3 -44.6 44.6 8.9 158 180 A I E +de 34 62A 0 -97,-1.6 -95,-2.3 -2,-0.4 -123,-0.2 -0.939 31.6 154.9-112.5 110.7 -41.3 42.7 9.2 159 181 A A E -d 35 0A 1 -125,-3.1 -123,-1.7 -2,-0.6 -95,-0.2 -0.888 43.2 -97.3-133.3 160.9 -39.7 42.8 12.7 160 182 A P E >> -d 36 0A 18 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.420 29.0-123.9 -71.8 155.1 -37.4 40.7 14.9 161 183 A Y H 3> S+ 0 0 4 -125,-1.3 4,-2.9 1,-0.2 5,-0.3 0.972 112.5 60.0 -57.9 -53.5 -38.7 38.2 17.4 162 184 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.2 -126,-0.2 -125,-0.1 0.622 104.6 52.6 -52.9 -16.5 -36.8 40.0 20.2 163 185 A Y H X4 S+ 0 0 21 -3,-0.8 3,-0.7 2,-0.1 -1,-0.2 0.920 116.7 32.4 -81.4 -54.2 -38.8 43.2 19.3 164 186 A F H 3< S+ 0 0 1 -4,-1.5 6,-0.4 -3,-0.3 -2,-0.2 0.902 112.3 59.8 -74.2 -41.4 -42.3 41.8 19.5 165 187 A L T 3< S+ 0 0 22 -4,-2.9 2,-0.9 -5,-0.2 -1,-0.2 0.430 80.8 97.9 -72.9 1.8 -41.8 39.2 22.3 166 188 A N S <> S- 0 0 70 -3,-0.7 4,-2.9 -5,-0.3 3,-0.3 -0.847 71.8-153.5 -85.1 104.0 -40.7 42.2 24.5 167 189 A R H > S+ 0 0 144 -2,-0.9 4,-1.5 1,-0.3 -1,-0.2 0.872 87.2 43.7 -53.0 -55.3 -44.1 42.6 26.2 168 190 A S H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.849 116.4 49.2 -60.4 -37.0 -43.8 46.4 27.1 169 191 A V H > S+ 0 0 26 -3,-0.3 4,-2.5 1,-0.2 3,-0.4 0.936 105.7 56.2 -67.1 -48.5 -42.5 47.2 23.6 170 192 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 -6,-0.4 5,-0.2 0.829 102.5 57.6 -52.1 -37.1 -45.2 45.2 21.8 171 193 A E H X S+ 0 0 64 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.9 41.1 -65.9 -44.9 -47.9 47.3 23.6 172 194 A K H X S+ 0 0 140 -4,-1.1 4,-1.7 -3,-0.4 5,-0.2 0.935 113.5 56.0 -63.4 -46.4 -46.6 50.7 22.3 173 195 A F H X S+ 0 0 5 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.873 113.5 39.0 -52.8 -44.8 -46.0 49.1 18.9 174 196 A L H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.799 108.7 61.7 -78.8 -31.7 -49.6 47.9 18.6 175 197 A S H < S+ 0 0 93 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.788 111.0 41.3 -63.2 -29.4 -51.0 51.1 20.2 176 198 A H H < S+ 0 0 90 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.839 111.9 53.9 -83.5 -37.9 -49.5 53.0 17.2 177 199 A W H < S- 0 0 8 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.756 99.2-137.0 -65.8 -26.3 -50.5 50.4 14.6 178 200 A G < + 0 0 58 -4,-1.7 -1,-0.1 1,-0.4 -4,-0.1 -0.071 68.8 111.9 90.6 -33.0 -54.1 50.7 15.7 179 201 A V - 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