==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-OCT-10 3P8Y . COMPND 2 MOLECULE: ASNS-LIKE ASPARAGINYL-TRNA SYNTHETASE RELATED PRO . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR M.BLAISE,D.KERN . 590 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 0 3 3 4 1 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 2 4 0 4 2 2 2 0 2 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 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 136 0, 0.0 292,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.4 -1.7 12.3 27.6 2 2 A N > - 0 0 90 291,-0.1 4,-2.5 290,-0.1 3,-0.4 -0.405 360.0 -91.9 -86.5 166.5 -0.1 9.7 29.9 3 3 A A H > S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.861 124.1 40.6 -45.5 -59.2 -1.8 6.8 31.6 4 4 A V H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.843 114.3 55.5 -64.1 -32.4 -2.7 8.5 34.9 5 5 A E H >4 S+ 0 0 90 -3,-0.4 3,-0.7 1,-0.2 4,-0.5 0.922 106.9 50.8 -62.0 -45.3 -3.6 11.7 33.1 6 6 A I H >< S+ 0 0 6 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.901 110.5 45.7 -62.6 -45.6 -6.1 9.8 30.9 7 7 A I H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.526 102.7 68.3 -80.1 -4.3 -8.0 8.0 33.6 8 8 A S T << S+ 0 0 78 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.606 77.2 104.5 -86.9 -14.2 -8.3 11.2 35.7 9 9 A R S < S- 0 0 44 -3,-1.0 2,-0.8 -4,-0.5 3,-0.0 -0.278 71.8-128.2 -68.2 153.8 -10.6 12.9 33.2 10 10 A D + 0 0 145 1,-0.1 4,-0.1 2,-0.0 3,-0.1 -0.873 48.4 144.9-104.4 100.2 -14.3 13.3 34.0 11 11 A I > + 0 0 10 -2,-0.8 4,-2.4 370,-0.3 5,-0.2 0.110 29.6 117.5-122.4 17.2 -16.2 12.0 31.0 12 12 A Y H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 77.4 50.0 -49.1 -49.1 -19.1 10.5 32.9 13 13 A K H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 110.4 49.3 -58.8 -48.6 -21.6 12.8 31.1 14 14 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 112.2 48.1 -58.4 -42.0 -20.3 12.0 27.7 15 15 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 316,-0.4 0.861 109.0 53.7 -69.5 -34.7 -20.5 8.2 28.4 16 16 A D H X S+ 0 0 50 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.918 111.0 46.2 -63.1 -45.1 -24.0 8.6 29.7 17 17 A I H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 110.3 53.9 -58.3 -45.8 -25.0 10.4 26.5 18 18 A Q H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.889 105.7 53.6 -59.6 -38.6 -23.2 7.7 24.4 19 19 A T H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.931 110.6 45.7 -64.3 -42.8 -25.2 5.0 26.2 20 20 A K H X S+ 0 0 74 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.854 112.6 51.2 -68.5 -36.3 -28.5 6.7 25.3 21 21 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.926 110.6 47.6 -65.6 -46.7 -27.4 7.2 21.7 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.906 112.5 49.7 -63.8 -41.8 -26.4 3.6 21.3 23 23 A D H X S+ 0 0 70 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.929 115.1 44.2 -58.5 -46.6 -29.7 2.4 22.8 24 24 A Y H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.915 115.4 46.3 -67.4 -43.7 -31.7 4.7 20.5 25 25 A M H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.909 112.9 47.9 -70.6 -41.9 -29.8 3.9 17.3 26 26 A T H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.912 113.4 48.0 -64.2 -42.2 -29.8 0.1 17.8 27 27 A K H X S+ 0 0 109 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.862 103.9 62.7 -64.1 -37.9 -33.6 0.1 18.5 28 28 A F H X S+ 0 0 10 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.939 112.2 36.0 -50.4 -47.7 -34.2 2.4 15.5 29 29 A F H ><>S+ 0 0 1 -4,-1.5 5,-2.2 2,-0.2 3,-0.8 0.929 116.1 50.2 -78.7 -45.0 -32.8 -0.4 13.2 30 30 A T H ><5S+ 0 0 27 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.891 106.6 58.0 -62.8 -34.4 -34.2 -3.5 15.1 31 31 A D H 3<5S+ 0 0 96 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.800 105.6 51.6 -59.4 -29.8 -37.6 -1.8 15.1 32 32 A R T <<5S- 0 0 76 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.183 126.1 -99.2 -98.0 16.4 -37.5 -1.7 11.3 33 33 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 1,-0.2 57,-0.2 0.612 68.7 153.5 81.2 12.4 -36.6 -5.3 10.9 34 34 A F < - 0 0 6 -5,-2.2 2,-0.3 55,-0.1 57,-0.3 -0.498 42.9-124.6 -69.3 143.4 -32.8 -5.0 10.4 35 35 A K E -a 91 0A 20 55,-3.0 57,-2.3 53,-0.2 2,-0.7 -0.703 18.4-133.4 -86.3 141.9 -30.6 -7.9 11.4 36 36 A W E -a 92 0A 2 274,-0.4 2,-0.2 -2,-0.3 57,-0.2 -0.865 27.3-172.6-102.7 106.8 -27.8 -7.2 13.9 37 37 A L E -a 93 0A 6 55,-2.8 57,-0.5 -2,-0.7 540,-0.0 -0.610 20.9-120.2 -97.5 160.7 -24.5 -8.7 12.8 38 38 A L - 0 0 25 -2,-0.2 2,-0.1 55,-0.1 57,-0.1 -0.628 35.8-102.4 -95.5 157.1 -21.2 -8.8 14.7 39 39 A P - 0 0 19 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.386 19.1-146.0 -79.2 153.2 -18.0 -7.2 13.4 40 40 A I - 0 0 13 56,-0.1 3,-0.1 1,-0.1 39,-0.1 -0.937 13.1-178.6-109.3 145.5 -15.0 -8.8 11.7 41 41 A M + 0 0 0 -2,-0.4 32,-1.6 1,-0.2 2,-0.4 0.591 66.4 47.9-114.0 -18.9 -11.6 -7.2 12.4 42 42 A L E +H 72 0B 1 30,-0.2 -1,-0.2 547,-0.0 30,-0.2 -0.994 62.6 141.7-130.8 130.2 -9.3 -9.4 10.3 43 43 A S E -H 71 0B 1 28,-1.6 28,-3.5 -2,-0.4 545,-0.1 -0.987 57.6-115.7-160.1 154.2 -9.8 -10.3 6.6 44 44 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.803 105.0 45.3 -60.6 -27.0 -7.8 -10.9 3.4 45 45 A I + 0 0 1 26,-0.1 2,-0.3 198,-0.1 198,-0.1 -0.887 65.0 160.5-119.8 147.1 -9.8 -7.9 2.0 46 46 A T - 0 0 6 196,-0.4 30,-0.1 -2,-0.3 27,-0.1 -0.973 50.2 -66.5-152.1 170.9 -10.8 -4.5 3.3 47 47 A D - 0 0 0 28,-1.0 27,-0.1 -2,-0.3 29,-0.0 -0.369 37.5-149.8 -53.8 124.6 -12.0 -1.0 2.2 48 48 A P - 0 0 18 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.729 15.5-146.9 -72.5 -20.2 -9.2 0.6 0.2 49 49 A L + 0 0 11 1,-0.1 8,-0.4 2,-0.1 9,-0.2 0.793 53.1 139.6 56.4 30.8 -10.3 4.1 1.3 50 50 A W + 0 0 103 1,-0.3 143,-0.4 7,-0.1 2,-0.2 -0.960 41.8 31.5-165.0 144.1 -9.1 5.2 -2.1 51 51 A P S S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 88.2 133.6 -60.1 156.8 -9.8 7.0 -4.3 52 52 A D > - 0 0 23 139,-0.2 3,-0.9 3,-0.2 139,-0.1 -0.802 52.5-146.5-175.4 128.9 -11.4 9.4 -1.8 53 53 A P T 3 S+ 0 0 65 0, 0.0 138,-0.1 0, 0.0 -1,-0.0 0.741 102.9 59.4 -77.2 -20.2 -11.1 13.2 -1.5 54 54 A A T 3 S+ 0 0 34 -3,-0.1 2,-0.2 2,-0.0 -5,-0.0 0.538 103.4 66.0 -81.4 -7.6 -11.4 12.8 2.3 55 55 A G < - 0 0 20 -3,-0.9 -3,-0.2 1,-0.1 -5,-0.0 -0.659 65.2-146.8-116.5 168.3 -8.4 10.5 2.5 56 56 A E - 0 0 80 -2,-0.2 -6,-0.1 -5,-0.1 -1,-0.1 0.322 63.9 -94.4-110.8 1.6 -4.6 10.7 2.0 57 57 A G - 0 0 32 -8,-0.4 -7,-0.1 1,-0.1 -8,-0.1 0.902 55.4-170.9 90.6 46.7 -4.3 7.1 0.7 58 58 A I - 0 0 29 -9,-0.2 -1,-0.1 1,-0.1 43,-0.1 -0.294 18.3-127.4 -72.7 152.1 -3.5 5.2 3.8 59 59 A R - 0 0 216 41,-0.2 41,-0.3 1,-0.1 -1,-0.1 -0.819 31.5-105.7 -97.0 141.4 -2.5 1.5 3.8 60 60 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 13,-0.1 -0.287 33.5-106.1 -62.6 146.5 -4.3 -0.9 6.1 61 61 A A - 0 0 10 37,-0.3 11,-3.0 11,-0.2 2,-0.4 -0.535 45.6-156.2 -65.4 141.5 -2.6 -2.2 9.3 62 62 A E E +I 71 0B 83 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.966 19.7 175.2-128.9 143.5 -1.7 -5.9 8.5 63 63 A V E -I 70 0B 14 7,-2.2 7,-2.8 -2,-0.4 2,-0.3 -0.990 31.4-112.8-142.1 150.1 -1.0 -8.9 10.7 64 64 A D E -I 69 0B 104 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.657 23.0-168.5 -82.1 135.3 -0.3 -12.6 9.9 65 65 A V E > S-I 68 0B 0 3,-2.8 3,-1.8 -2,-0.3 -2,-0.0 -0.958 80.0 -23.3-124.0 108.8 -2.8 -15.2 10.9 66 66 A Y T 3 S- 0 0 74 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.858 130.0 -48.8 53.9 38.3 -1.4 -18.7 10.6 67 67 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.291 117.3 115.7 90.4 -9.2 1.1 -17.4 8.1 68 68 A V E < - I 0 65B 60 -3,-1.8 -3,-2.8 1,-0.0 2,-0.2 -0.824 69.2-118.9-102.1 127.6 -1.5 -15.6 6.0 69 69 A R E - I 0 64B 124 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.417 34.8-175.8 -62.1 122.5 -1.5 -11.8 5.7 70 70 A M E - I 0 63B 0 -7,-2.8 -7,-2.2 -2,-0.2 2,-0.4 -0.920 18.3-134.1-117.7 148.4 -4.7 -10.3 7.0 71 71 A R E -HI 43 62B 32 -28,-3.5 -28,-1.6 -2,-0.3 -9,-0.2 -0.846 19.3-123.5 -99.3 136.6 -5.8 -6.7 6.9 72 72 A L E -H 42 0B 0 -11,-3.0 2,-0.2 -2,-0.4 -30,-0.2 -0.560 50.5 -83.0 -71.1 142.7 -7.3 -4.9 9.9 73 73 A T + 0 0 1 -32,-1.6 25,-2.9 -2,-0.2 3,-0.2 -0.274 45.0 173.1 -59.2 114.0 -10.7 -3.5 9.1 74 74 A H S S- 0 0 1 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.862 82.9 -32.1 -76.1 -46.0 -10.6 -0.1 7.4 75 75 A S - 0 0 1 -3,-0.1 -28,-1.0 22,-0.1 -1,-0.5 -0.924 53.0-120.9-164.1 160.2 -14.4 -0.6 7.0 76 76 A M > + 0 0 3 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.108 69.8 123.8 -90.7 21.5 -16.7 -3.6 6.6 77 77 A I H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 75.3 44.5 -48.2 -52.2 -18.1 -2.2 3.3 78 78 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.886 113.7 50.8 -65.0 -37.0 -17.3 -5.3 1.3 79 79 A H H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.809 105.5 56.7 -69.8 -30.5 -18.6 -7.6 4.0 80 80 A K H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.903 108.0 47.8 -64.8 -40.3 -21.8 -5.6 4.1 81 81 A Q H X S+ 0 0 4 -4,-1.8 4,-1.9 -5,-0.2 175,-0.3 0.896 110.9 51.1 -67.1 -39.1 -22.3 -6.4 0.4 82 82 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.871 105.4 56.0 -65.3 -36.4 -21.5 -10.0 1.1 83 83 A A H <>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 -1,-0.2 0.882 107.4 48.8 -60.7 -40.6 -24.1 -10.1 3.9 84 84 A I H ><5S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 5,-0.3 0.894 107.0 56.5 -64.5 -38.0 -26.7 -8.8 1.3 85 85 A A H 3<5S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.791 99.8 59.2 -63.8 -26.5 -25.5 -11.6 -1.0 86 86 A M T 3<5S- 0 0 20 -4,-1.3 220,-0.4 -3,-0.2 -1,-0.3 0.376 121.6-111.0 -82.9 5.1 -26.3 -14.1 1.8 87 87 A G T < 5S+ 0 0 22 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.742 74.4 137.6 75.6 27.8 -29.9 -12.9 1.6 88 88 A L < - 0 0 1 -5,-1.6 2,-2.5 1,-0.1 -53,-0.2 0.583 42.6-160.8 -83.4 -10.3 -30.1 -11.1 5.0 89 89 A E + 0 0 97 -5,-0.3 33,-2.8 -6,-0.2 2,-0.4 -0.245 68.3 26.6 74.1 -56.1 -32.0 -8.1 3.3 90 90 A K E S+ B 0 121A 74 -2,-2.5 -55,-3.0 31,-0.2 2,-0.3 -0.951 77.1 166.7-144.1 118.0 -31.4 -5.4 5.9 91 91 A I E -aB 35 120A 0 29,-2.3 29,-2.3 -2,-0.4 2,-0.3 -0.950 14.8-179.6-134.7 152.1 -28.4 -5.5 8.2 92 92 A F E -aB 36 119A 0 -57,-2.3 -55,-2.8 -2,-0.3 2,-0.3 -0.977 4.1-173.0-143.2 161.6 -26.4 -3.3 10.6 93 93 A V E -aB 37 118A 1 25,-1.6 25,-2.7 -2,-0.3 2,-1.2 -0.987 32.6-125.9-151.3 141.1 -23.3 -3.8 12.7 94 94 A L E - B 0 117A 19 -57,-0.5 23,-0.2 -2,-0.3 -2,-0.0 -0.804 48.3-170.5 -84.7 93.8 -21.5 -1.7 15.4 95 95 A S E - B 0 116A 0 21,-2.4 21,-2.4 -2,-1.2 2,-0.2 -0.804 19.2-147.5-102.7 114.2 -18.2 -2.0 13.4 96 96 A P E - B 0 115A 2 0, 0.0 2,-0.3 0, 0.0 19,-0.3 -0.542 18.9-161.4 -73.9 144.2 -14.9 -0.8 14.8 97 97 A N E - B 0 114A 0 17,-3.2 17,-1.6 -2,-0.2 2,-0.5 -0.940 13.1-151.9-123.4 148.6 -12.5 0.6 12.2 98 98 A I E + B 0 113A 1 -25,-2.9 2,-0.4 -2,-0.3 -37,-0.3 -0.985 23.1 165.7-118.7 114.0 -8.7 1.0 12.4 99 99 A R - 0 0 32 13,-2.2 2,-2.2 -2,-0.5 -2,-0.0 -0.898 23.3-157.7-131.1 105.0 -7.5 3.9 10.1 100 100 A L + 0 0 35 -2,-0.4 -41,-0.2 -41,-0.3 261,-0.1 -0.401 28.6 172.1 -85.7 65.7 -4.0 5.0 10.9 101 101 A E - 0 0 19 -2,-2.2 188,-0.6 1,-0.1 11,-0.1 -0.221 31.4 -99.6 -73.5 163.4 -4.3 8.5 9.4 102 102 A S > - 0 0 24 186,-0.1 3,-1.8 1,-0.1 4,-0.1 -0.174 34.1 -98.0 -78.4 172.3 -1.6 11.1 9.7 103 103 A R G > S+ 0 0 125 1,-0.3 3,-1.4 186,-0.2 -1,-0.1 0.709 118.7 73.8 -57.3 -21.6 -1.3 14.1 12.1 104 104 A R G 3 S+ 0 0 181 1,-0.3 -1,-0.3 3,-0.0 185,-0.0 0.684 93.7 51.9 -70.0 -16.2 -2.7 16.2 9.2 105 105 A K G < S+ 0 0 43 -3,-1.8 2,-2.1 1,-0.1 5,-0.4 0.302 73.8 110.2-101.5 2.7 -6.1 14.6 9.9 106 106 A D < + 0 0 46 -3,-1.4 -1,-0.1 1,-0.2 -3,-0.1 -0.555 35.9 137.6 -75.0 75.8 -6.2 15.4 13.7 107 107 A D S S- 0 0 67 -2,-2.1 -1,-0.2 170,-0.0 -3,-0.0 0.266 80.5 -91.2-108.0 7.3 -8.9 18.0 13.1 108 108 A G S S+ 0 0 2 2,-0.2 170,-2.1 -3,-0.2 -2,-0.1 0.143 119.5 61.8 100.5 -19.5 -11.1 17.2 16.1 109 109 A R S S+ 0 0 19 -4,-0.2 2,-0.3 168,-0.1 -3,-0.1 0.598 83.4 85.5-112.9 -14.4 -13.4 14.6 14.4 110 110 A H + 0 0 19 -5,-0.4 2,-0.3 178,-0.0 -2,-0.2 -0.629 46.1 176.0 -90.9 150.0 -10.9 11.9 13.4 111 111 A S - 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G 0 259A 26 -18,-2.6 -25,-2.6 -2,-0.3 2,-0.3 -0.486 59.8-123.0 -65.5 160.3 -25.8 2.9 -3.7 222 222 A R B -J 195 0C 2 36,-2.1 36,-0.3 -27,-0.3 2,-0.2 -0.784 0.5-118.8-115.4 156.9 -23.3 0.2 -4.7 223 223 A E + 0 0 0 -29,-1.9 33,-0.1 -2,-0.3 -27,-0.1 -0.629 30.8 169.6 -77.1 147.7 -21.8 -1.4 -7.8 224 224 A W + 0 0 76 -2,-0.2 2,-0.5 31,-0.1 31,-0.4 0.427 42.3 99.6-134.7 -7.2 -22.6 -5.1 -8.2 225 225 A E > - 0 0 87 1,-0.1 4,-2.4 31,-0.0 3,-0.2 -0.739 63.9-141.8 -93.7 126.8 -21.4 -6.0 -11.7 226 226 A Y H > S+ 0 0 30 24,-0.6 4,-2.8 -2,-0.5 5,-0.3 0.896 98.5 48.2 -47.2 -55.8 -18.1 -7.7 -12.0 227 227 A E H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 113.8 46.8 -59.1 -41.5 -16.9 -6.0 -15.2 228 228 A K H > S+ 0 0 53 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 113.4 49.4 -66.8 -43.7 -17.7 -2.5 -13.9 229 229 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.953 111.5 46.9 -62.2 -53.6 -16.1 -3.2 -10.5 230 230 A V H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.902 109.9 54.2 -56.0 -43.0 -12.8 -4.5 -12.0 231 231 A A H X S+ 0 0 57 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.910 109.6 48.0 -59.6 -39.3 -12.6 -1.6 -14.5 232 232 A K H X S+ 0 0 28 -4,-1.8 4,-1.6 2,-0.2 6,-0.2 0.900 111.0 49.6 -70.9 -40.0 -12.9 0.9 -11.6 233 233 A I H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 -2,-0.2 0.940 114.3 46.2 -60.1 -47.9 -10.3 -0.9 -9.5 234 234 A R H ><5S+ 0 0 168 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.882 108.7 54.3 -64.3 -40.5 -7.9 -0.9 -12.4 235 235 A A H 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.4 53.2 -63.4 -34.1 -8.5 2.7 -13.4 236 236 A A T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.421 116.9-113.5 -81.5 -0.4 -7.6 3.8 -9.8 237 237 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.642 73.4 136.3 77.4 13.1 -4.3 1.9 -10.0 238 238 A L < - 0 0 42 -5,-2.0 2,-0.5 -6,-0.2 -1,-0.2 -0.335 55.2-110.7 -84.7 173.6 -5.5 -0.5 -7.3 239 239 A K > - 0 0 127 1,-0.1 3,-1.6 -2,-0.1 4,-0.2 -0.927 3.7-146.8-116.4 130.1 -4.9 -4.3 -7.7 240 240 A E G > S+ 0 0 59 -2,-0.5 3,-2.4 1,-0.3 7,-0.2 0.853 100.4 69.8 -54.8 -35.8 -7.5 -7.0 -8.3 241 241 A D G > S+ 0 0 128 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.758 89.2 62.3 -54.0 -28.4 -5.2 -9.2 -6.2 242 242 A S G < S+ 0 0 32 -3,-1.6 -196,-0.4 1,-0.2 -1,-0.3 0.566 113.4 33.7 -75.7 -7.8 -6.2 -7.1 -3.1 243 243 A F G <> S+ 0 0 7 -3,-2.4 4,-2.7 -4,-0.2 3,-0.4 0.061 76.9 137.4-133.4 24.0 -9.9 -8.1 -3.5 244 244 A R H <> S+ 0 0 149 -3,-0.9 4,-1.7 1,-0.2 5,-0.1 0.820 72.3 41.8 -52.0 -51.5 -9.7 -11.7 -4.9 245 245 A P H > S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.884 116.6 50.0 -68.1 -34.8 -12.4 -13.5 -2.9 246 246 A Y H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.896 110.6 49.9 -64.4 -40.3 -14.8 -10.6 -3.3 247 247 A L H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.784 105.0 57.9 -72.8 -25.0 -14.2 -10.5 -7.0 248 248 A E H X S+ 0 0 78 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.919 108.8 46.0 -65.6 -41.5 -14.8 -14.2 -7.2 249 249 A I H <>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 6,-0.3 0.903 113.5 48.6 -67.5 -41.0 -18.2 -13.6 -5.7 250 250 A A H ><5S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 -24,-0.6 0.901 109.7 52.1 -65.6 -39.2 -18.9 -10.7 -8.1 251 251 A R H 3<5S+ 0 0 175 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 103.4 58.9 -65.5 -33.2 -17.7 -12.8 -11.1 252 252 A A T 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.564 117.0-116.6 -71.8 -8.6 -20.2 -15.5 -10.0 253 253 A G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.653 78.4 126.0 83.6 17.5 -23.0 -12.9 -10.3 254 254 A K < + 0 0 92 -5,-2.1 2,-0.2 2,-0.1 -4,-0.2 0.513 35.7 97.0 -95.4 -5.8 -23.8 -13.0 -6.6 255 255 A L - 0 0 7 -31,-0.4 -31,-0.1 -6,-0.3 -29,-0.1 -0.614 60.5-155.5 -76.3 145.1 -23.6 -9.4 -5.6 256 256 A K - 0 0 65 -175,-0.3 -171,-0.1 -2,-0.2 -172,-0.1 -0.897 27.0 -91.0-119.5 150.7 -27.0 -7.6 -5.5 257 257 A P + 0 0 60 0, 0.0 -134,-2.5 0, 0.0 2,-0.3 -0.315 62.9 147.1 -56.8 140.7 -27.9 -4.0 -5.9 258 258 A S E -C 122 0A 3 -136,-0.3 -36,-2.1 -36,-0.3 2,-0.3 -0.951 32.5-148.6-159.6 175.3 -28.0 -2.3 -2.5 259 259 A A E +CG 121 221A 0 -138,-1.7 -138,-2.6 -2,-0.3 -38,-0.3 -0.976 25.8 141.0-152.0 152.8 -27.4 1.0 -0.7 260 260 A G E -CG 120 220A 0 -40,-1.8 -40,-1.3 -2,-0.3 2,-0.3 -0.893 24.8-143.4-167.5-164.1 -26.3 1.9 2.8 261 261 A A E -CG 119 219A 0 -142,-1.7 -142,-2.9 -2,-0.3 2,-0.4 -0.972 13.9-127.3-166.3 164.6 -24.2 4.1 5.0 262 262 A G E -CG 118 218A 0 -44,-2.2 -44,-1.5 -2,-0.3 2,-0.4 -0.967 18.8-154.7-121.7 148.5 -22.0 4.2 8.1 263 263 A I E -CG 117 217A 1 -146,-1.8 -146,-2.5 -2,-0.4 2,-0.7 -0.989 19.6-125.3-125.9 125.1 -22.7 6.7 11.0 264 264 A G E > -C 116 0A 1 -48,-2.9 4,-1.6 -2,-0.4 -148,-0.2 -0.550 21.1-167.8 -74.2 110.6 -19.8 7.7 13.3 265 265 A V H > S+ 0 0 0 -150,-1.9 4,-2.2 -2,-0.7 3,-0.4 0.963 86.5 44.9 -65.0 -53.2 -21.0 7.0 16.8 266 266 A E H > S+ 0 0 20 -151,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.864 109.9 57.2 -59.8 -35.9 -18.3 8.9 18.7 267 267 A R H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 108.4 47.0 -62.3 -36.1 -18.7 11.8 16.3 268 268 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.4 5,-0.2 0.887 109.7 52.7 -71.4 -40.1 -22.4 12.0 17.3 269 269 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.940 109.0 51.4 -56.8 -47.3 -21.5 11.8 20.9 270 270 A R H X>S+ 0 0 16 -4,-2.6 5,-2.0 1,-0.2 4,-1.6 0.867 110.2 49.0 -57.2 -41.2 -19.1 14.7 20.4 271 271 A F H <5S+ 0 0 11 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.927 113.3 44.4 -68.3 -45.4 -21.8 16.8 18.7 272 272 A I H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.861 117.8 44.9 -70.2 -33.8 -24.5 16.2 21.4 273 273 A V H <5S- 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.739 106.7-127.2 -77.8 -24.6 -22.0 16.9 24.2 274 274 A G T <5 + 0 0 39 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.802 44.6 172.7 81.8 30.7 -20.5 19.9 22.5 275 275 A A < - 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