==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-13 4KFS . COMPND 2 MOLECULE: GENOME PACKAGING NTPASE B204; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TURRETED ICOSAHEDRAL VIRUS . AUTHOR L.J.HAPPONEN,E.OKSANEN,T.KAJANDER,A.GOLDMAN,S.BUTCHER . 401 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 39 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.2 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 2 1 3 6 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.9 31.3 7.7 44.9 2 2 A N > - 0 0 98 1,-0.1 3,-1.6 0, 0.0 0, 0.0 -0.971 360.0-148.8-142.6 126.3 32.8 7.7 41.4 3 3 A P T 3 S+ 0 0 48 0, 0.0 128,-0.2 0, 0.0 -1,-0.1 0.756 100.6 52.4 -61.8 -28.9 36.2 9.2 40.2 4 4 A D T 3 S+ 0 0 36 127,-0.2 126,-0.2 126,-0.1 2,-0.1 0.229 85.7 118.9 -97.6 17.0 34.8 9.9 36.7 5 5 A D < - 0 0 17 -3,-1.6 127,-2.1 126,-0.1 2,-0.7 -0.439 66.2-124.5 -72.7 150.1 31.8 11.8 37.9 6 6 A I E -a 132 0A 1 125,-0.2 145,-2.5 143,-0.2 146,-2.2 -0.892 31.5-172.3 -92.4 117.9 31.1 15.4 37.1 7 7 A V E -ab 133 152A 10 125,-3.7 127,-3.0 -2,-0.7 2,-0.5 -0.942 6.4-163.6-111.9 126.4 30.7 17.3 40.4 8 8 A V E -ab 134 153A 0 144,-2.4 146,-3.4 -2,-0.5 2,-0.5 -0.946 2.4-161.6-111.2 128.5 29.6 20.9 40.4 9 9 A L E -ab 135 154A 0 125,-3.5 127,-2.2 -2,-0.5 2,-0.5 -0.929 7.9-175.1-109.0 127.2 30.0 23.1 43.5 10 10 A V E +ab 136 155A 6 144,-2.5 146,-2.4 -2,-0.5 2,-0.3 -0.977 26.7 111.6-128.1 121.0 28.0 26.3 43.9 11 11 A G - 0 0 5 125,-2.1 3,-0.1 -2,-0.5 5,-0.1 -0.899 55.4 -98.7-177.6 154.9 28.4 28.7 46.8 12 12 A R > - 0 0 76 145,-0.3 3,-2.1 -2,-0.3 5,-0.5 -0.067 60.6 -63.0 -74.0 175.6 29.6 32.2 47.6 13 13 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.2 2,-0.1 124,-0.0 -0.404 126.2 10.6 -60.6 133.2 33.0 33.3 49.0 14 14 A K T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.468 91.8 120.0 72.8 7.1 33.5 31.9 52.5 15 15 A S S < S- 0 0 25 -3,-2.1 170,-0.4 169,-0.1 142,-0.2 0.784 93.4 -98.7 -70.1 -27.0 30.4 29.6 52.0 16 16 A G S > S+ 0 0 13 -4,-0.4 4,-1.9 -5,-0.1 5,-0.1 0.432 88.5 124.4 120.4 7.2 32.6 26.6 52.5 17 17 A K H > S+ 0 0 6 -5,-0.5 4,-1.6 2,-0.2 5,-0.1 0.963 79.4 38.1 -60.3 -58.4 33.1 25.7 48.9 18 18 A S H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 113.6 57.9 -62.9 -38.2 37.0 25.7 48.9 19 19 A Y H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.888 105.1 50.9 -60.0 -39.9 37.0 24.1 52.4 20 20 A L H X>S+ 0 0 3 -4,-1.9 5,-1.8 2,-0.2 4,-1.3 0.882 112.1 46.5 -66.4 -39.6 35.0 21.2 51.1 21 21 A I H <>S+ 0 0 1 -4,-1.6 5,-2.4 3,-0.2 -2,-0.2 0.907 118.0 42.7 -66.0 -42.0 37.5 20.7 48.2 22 22 A K H <5S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.766 125.2 29.1 -78.6 -28.6 40.5 21.0 50.4 23 23 A H H <5S+ 0 0 105 -4,-2.1 -3,-0.2 -5,-0.2 -1,-0.2 0.444 133.4 21.4-120.5 -3.2 39.5 18.9 53.4 24 24 A Y T X5S+ 0 0 102 -4,-1.3 4,-2.7 -5,-0.3 5,-0.3 0.549 123.1 36.0-118.5 -74.1 37.1 16.4 51.8 25 25 A F H > S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.884 114.2 49.3 -60.0 -38.4 42.0 14.0 51.0 28 28 A V H X S+ 0 0 44 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.870 110.8 49.7 -68.1 -37.6 39.6 11.3 49.9 29 29 A L H <>S+ 0 0 16 -4,-2.2 5,-3.0 -5,-0.3 3,-0.5 0.972 113.3 46.8 -61.9 -52.8 41.1 11.2 46.4 30 30 A K H ><5S+ 0 0 74 -4,-2.5 3,-2.5 1,-0.2 -2,-0.2 0.942 109.8 53.0 -50.1 -56.8 44.6 10.9 47.8 31 31 A A H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 113.3 43.4 -52.0 -34.6 43.6 8.2 50.3 32 32 A H T 3<5S- 0 0 134 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.372 115.9-117.0 -93.3 4.0 42.1 6.1 47.4 33 33 A K T < 5 + 0 0 70 -3,-2.5 2,-0.6 -4,-0.3 -3,-0.2 0.888 59.1 156.5 57.4 42.4 45.1 6.9 45.2 34 34 A I < - 0 0 24 -5,-3.0 -1,-0.2 -6,-0.1 63,-0.1 -0.896 39.0-131.6 -95.0 125.2 43.1 8.8 42.7 35 35 A S E -c 97 0A 1 61,-0.7 63,-2.2 -2,-0.6 2,-0.3 -0.358 26.3-166.2 -71.2 151.5 45.3 11.1 40.8 36 36 A Y E -cd 98 67A 0 30,-1.0 32,-2.2 61,-0.2 2,-0.4 -0.991 19.4-154.3-143.0 156.3 44.2 14.7 40.3 37 37 A I E -cd 99 68A 0 61,-2.6 63,-3.2 -2,-0.3 2,-0.6 -0.998 16.1-152.0-124.8 123.9 45.0 17.9 38.3 38 38 A I E -cd 100 69A 0 30,-3.1 32,-3.8 -2,-0.4 2,-1.1 -0.875 4.1-159.3-104.2 116.4 44.1 21.3 39.7 39 39 A D E -cd 101 70A 0 61,-3.4 63,-1.2 -2,-0.6 2,-0.5 -0.824 25.7-169.8 -90.8 98.3 43.4 24.0 37.3 40 40 A D E + d 0 71A 2 30,-2.7 32,-2.6 -2,-1.1 61,-0.1 -0.843 27.9 171.4-107.5 123.5 44.1 26.9 39.7 41 41 A H + 0 0 23 -2,-0.5 2,-0.4 30,-0.2 -1,-0.1 0.428 56.1 88.9-105.9 -1.8 43.2 30.5 38.8 42 42 A N 0 0 41 0, 0.0 6,-1.7 0, 0.0 7,-0.3 -0.820 360.0 360.0-104.8 139.0 43.9 32.1 42.3 43 43 A L 0 0 158 -2,-0.4 4,-0.2 4,-0.2 -2,-0.1 -0.568 360.0 360.0-110.3 360.0 47.2 33.4 43.6 44 ! 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 45 46 A S 0 0 158 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.3 53.3 34.1 45.8 46 47 A G - 0 0 42 4,-0.0 5,-0.0 3,-0.0 2,-0.0 0.378 360.0-109.0 113.6 113.1 51.7 30.6 45.9 47 48 A S > - 0 0 15 -4,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.357 36.5-109.7 -61.1 147.6 48.6 29.3 44.1 48 49 A E T 3 S+ 0 0 62 -6,-1.7 3,-0.3 1,-0.3 -1,-0.1 0.861 121.6 36.8 -44.8 -42.1 45.6 28.7 46.4 49 50 A Y T > S+ 0 0 0 -7,-0.3 3,-2.0 1,-0.2 -1,-0.3 0.269 80.4 116.8-101.4 14.1 46.1 25.0 45.9 50 51 A S G X S+ 0 0 27 -3,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.787 71.5 58.9 -48.6 -35.6 50.0 24.9 45.8 51 52 A K G 3 S+ 0 0 151 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.710 96.8 63.5 -71.3 -17.2 50.2 22.7 48.9 52 53 A F G < S- 0 0 24 -3,-2.0 2,-0.3 1,-0.0 -1,-0.2 0.379 111.4 -10.5 -96.4 4.7 48.2 19.9 47.3 53 54 A G S < S- 0 0 20 -3,-1.0 2,-0.4 -4,-0.2 15,-0.3 -0.994 88.3 -49.8-177.4-179.5 50.5 18.9 44.4 54 55 A Y E -e 68 0A 108 13,-3.2 15,-3.2 -2,-0.3 2,-1.4 -0.578 52.9-127.0 -70.0 125.8 53.4 19.4 42.2 55 56 A N E -e 69 0A 70 -2,-0.4 15,-0.2 13,-0.2 -1,-0.1 -0.611 30.8-145.8 -78.9 91.0 53.4 23.0 40.8 56 57 A A - 0 0 16 13,-1.7 15,-0.5 -2,-1.4 3,-0.1 -0.165 24.4-177.5 -58.5 144.6 53.6 22.3 37.0 57 58 A T + 0 0 128 1,-0.2 2,-0.3 13,-0.1 -1,-0.1 0.279 69.1 25.1-125.1 8.3 55.5 24.7 34.8 58 59 A S S >> S- 0 0 56 1,-0.1 4,-1.1 0, 0.0 3,-0.5 -0.977 83.3-102.5-162.6 162.1 54.9 23.0 31.4 59 60 A L H 3> S+ 0 0 82 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.863 118.7 61.5 -59.7 -35.6 52.4 20.7 29.7 60 61 A S H 3> S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 99.6 54.9 -60.3 -38.3 54.8 17.8 30.1 61 62 A D H <> S+ 0 0 22 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.838 103.3 55.3 -60.5 -38.5 54.6 18.2 33.9 62 63 A I H < S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.925 113.1 42.2 -64.5 -40.2 50.8 17.9 33.8 63 64 A V H < S+ 0 0 39 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.922 121.2 39.1 -68.5 -43.8 51.2 14.6 32.0 64 65 A S H < S+ 0 0 40 -4,-2.4 2,-0.3 -5,-0.2 -2,-0.2 0.737 97.1 78.4 -89.6 -26.8 54.0 13.1 34.1 65 66 A K < - 0 0 77 -4,-2.3 3,-0.2 -5,-0.2 -9,-0.0 -0.671 66.1-145.1 -88.6 141.7 53.3 14.2 37.7 66 67 A Q S S+ 0 0 79 -2,-0.3 -30,-1.0 1,-0.3 2,-0.5 0.865 91.3 28.3 -74.7 -38.3 50.7 12.2 39.7 67 68 A Y E S+d 36 0A 46 -32,-0.2 -13,-3.2 -30,-0.0 2,-0.4 -0.981 86.1 178.1-126.6 115.8 49.2 15.1 41.7 68 69 A V E -de 37 54A 0 -32,-2.2 -30,-3.1 -2,-0.5 2,-0.5 -0.949 26.4-157.3-136.9 140.5 49.6 18.3 39.9 69 70 A V E -de 38 55A 1 -15,-3.2 -13,-1.7 -2,-0.4 2,-0.5 -0.966 14.7-158.5-115.0 124.6 48.7 22.0 40.3 70 71 A V E -d 39 0A 10 -32,-3.8 -30,-2.7 -2,-0.5 2,-1.0 -0.908 11.4-143.3-106.1 126.6 48.4 24.2 37.2 71 72 A Y E -d 40 0A 59 -2,-0.5 2,-1.1 -15,-0.5 -30,-0.2 -0.804 17.5-169.1 -86.6 104.3 48.8 27.9 37.4 72 73 A D + 0 0 10 -32,-2.6 -2,-0.0 -2,-1.0 -1,-0.0 -0.759 34.5 136.0 -97.9 90.0 46.2 29.2 34.9 73 74 A R 0 0 90 -2,-1.1 -1,-0.2 -31,-0.0 -32,-0.1 0.036 360.0 360.0-123.6 22.0 47.1 32.9 34.6 74 75 A A 0 0 89 2,-0.1 5,-0.0 -3,-0.1 0, 0.0 -0.899 360.0 360.0-165.0 360.0 46.9 33.2 30.8 75 ! 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 76 77 A N > 0 0 100 0, 0.0 3,-0.7 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 161.0 46.4 32.0 24.9 77 78 A D T 3 + 0 0 113 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.555 360.0 68.8 -83.4 -9.3 42.6 31.4 24.5 78 79 A D T 3> + 0 0 56 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.157 67.7 113.2 -92.0 19.1 43.2 27.8 23.5 79 80 A F H <> S+ 0 0 40 -3,-0.7 4,-3.6 1,-0.2 5,-0.2 0.921 71.4 49.1 -60.9 -50.6 44.4 27.0 27.0 80 81 A F H > S+ 0 0 12 -3,-0.3 4,-3.4 1,-0.2 5,-0.2 0.911 110.0 53.2 -57.3 -42.0 41.6 24.7 28.0 81 82 A E H > S+ 0 0 39 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.924 113.6 43.3 -58.2 -42.5 42.0 22.7 24.8 82 83 A K H X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.962 115.7 48.0 -65.8 -52.3 45.7 22.4 25.6 83 84 A L H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.888 111.9 50.5 -50.2 -44.4 44.9 21.5 29.3 84 85 A W H X S+ 0 0 3 -4,-3.4 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.4 48.4 -67.1 -45.7 42.3 19.0 28.2 85 86 A Q H X S+ 0 0 124 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.909 113.9 47.5 -55.2 -47.4 44.7 17.3 25.8 86 87 A A H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.878 110.5 51.9 -63.7 -38.0 47.4 17.1 28.5 87 88 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.870 105.4 54.7 -71.5 -35.1 44.9 15.8 31.0 88 89 A K H X S+ 0 0 60 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.900 110.4 46.4 -63.0 -38.8 43.8 13.0 28.7 89 90 A L H X S+ 0 0 100 -4,-1.5 4,-1.3 1,-0.2 3,-0.3 0.876 108.5 57.6 -70.8 -36.6 47.4 11.9 28.4 90 91 A H H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.919 106.0 48.0 -56.2 -46.9 47.8 12.2 32.1 91 92 A S H X S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.698 102.8 61.8 -74.1 -17.3 44.9 9.7 32.7 92 93 A K H < S+ 0 0 165 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.864 114.4 36.7 -68.8 -34.1 46.3 7.2 30.2 93 94 A K H < S+ 0 0 122 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.1 0.902 131.7 26.4 -82.0 -45.8 49.4 7.1 32.5 94 95 A Y H < S- 0 0 76 -4,-2.7 -59,-0.3 1,-0.3 -3,-0.2 0.443 100.5-128.7-103.0 -1.2 47.7 7.3 35.9 95 96 A G S < S+ 0 0 36 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.330 72.6 11.8 75.7-167.8 44.2 5.9 35.2 96 97 A T S S- 0 0 59 -4,-0.1 -61,-0.7 34,-0.1 2,-0.4 -0.065 76.2-174.9 -53.8 129.5 41.1 7.8 36.2 97 98 A T E -cf 35 130A 0 32,-2.0 34,-2.7 -63,-0.1 2,-0.6 -0.954 22.3-131.5-132.3 142.1 42.0 11.3 37.2 98 99 A V E -cf 36 131A 6 -63,-2.2 -61,-2.6 -2,-0.4 2,-0.7 -0.863 12.5-152.5 -99.1 123.0 40.0 14.2 38.6 99 100 A L E -cf 37 132A 0 32,-2.9 34,-2.3 -2,-0.6 2,-0.6 -0.858 14.2-160.2 -92.8 112.8 40.3 17.5 36.9 100 101 A I E -cf 38 133A 0 -63,-3.2 -61,-3.4 -2,-0.7 2,-0.6 -0.836 10.5-177.1 -99.7 117.9 39.6 20.2 39.6 101 102 A I E > -cf 39 134A 0 32,-3.2 34,-2.3 -2,-0.6 3,-0.5 -0.901 7.0-174.3-119.8 104.4 38.6 23.6 38.3 102 103 A D T 3 S+ 0 0 8 -63,-1.2 2,-0.4 -2,-0.6 -1,-0.1 0.771 84.3 37.4 -75.5 -26.7 38.1 26.3 41.0 103 104 A E T > S+ 0 0 19 -64,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.639 71.9 170.3-119.6 75.0 36.9 29.2 38.8 104 105 A A T X> + 0 0 0 31,-2.3 4,-2.7 -3,-0.5 3,-1.3 0.701 64.9 74.6 -63.1 -23.0 34.8 27.2 36.3 105 106 A Y H 3> S+ 0 0 72 30,-0.3 4,-0.6 1,-0.3 -1,-0.3 0.671 83.2 70.7 -66.8 -14.1 33.3 30.2 34.7 106 107 A Y H <4 S+ 0 0 121 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.875 118.5 17.1 -63.0 -36.6 36.6 30.8 33.0 107 108 A H H <4 S+ 0 0 29 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.1 0.684 136.2 36.3-110.3 -22.8 36.0 27.8 30.8 108 109 A F H < S+ 0 0 0 -4,-2.7 35,-2.1 6,-0.1 38,-0.2 -0.115 77.9 160.9-126.5 34.9 32.2 27.1 31.1 109 110 A K B >< -I 142 0B 39 -4,-0.6 3,-1.9 33,-0.2 33,-0.3 -0.239 49.4 -92.6 -64.2 144.0 30.7 30.6 31.3 110 111 A Y T 3 S+ 0 0 89 31,-2.5 33,-0.1 1,-0.2 -1,-0.1 -0.294 110.5 14.9 -50.8 133.8 27.0 31.2 30.6 111 112 A K T 3 S+ 0 0 141 1,-0.3 -1,-0.2 205,-0.1 2,-0.1 0.342 93.5 133.9 77.4 -1.3 26.4 32.2 26.9 112 113 A Q < - 0 0 64 -3,-1.9 204,-0.7 1,-0.1 -1,-0.3 -0.425 62.3-103.6 -76.4 153.0 29.9 31.0 25.7 113 114 A K B -J 315 0C 94 202,-0.2 2,-0.7 -2,-0.1 202,-0.2 -0.376 32.8-122.1 -68.4 154.2 30.3 28.9 22.6 114 115 A V - 0 0 9 200,-0.6 233,-0.4 -2,-0.1 199,-0.1 -0.905 25.0-161.9-106.0 111.8 31.0 25.2 23.1 115 116 A T > - 0 0 51 -2,-0.7 4,-2.5 231,-0.1 5,-0.2 -0.400 37.2-102.5 -77.5 163.3 34.2 23.9 21.5 116 117 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.810 122.8 54.1 -56.3 -30.5 34.8 20.2 21.0 117 118 A A H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.939 110.2 44.1 -70.8 -47.4 37.0 20.1 24.1 118 119 A I H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.902 114.3 52.3 -61.0 -40.6 34.4 21.7 26.4 119 120 A D H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.915 109.5 47.4 -63.9 -42.3 31.9 19.4 24.8 120 121 A E H X S+ 0 0 48 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.919 109.0 55.8 -62.3 -42.4 34.1 16.3 25.5 121 122 A A H < S+ 0 0 0 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.870 115.8 36.6 -58.6 -37.1 34.6 17.5 29.0 122 123 A L H < S+ 0 0 2 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.721 132.5 22.8 -88.8 -24.8 30.9 17.6 29.7 123 124 A H H < S+ 0 0 41 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.650 129.3 31.8-118.2 -21.1 29.7 14.6 27.7 124 125 A A S X S+ 0 0 32 -4,-2.7 4,-1.8 -5,-0.3 5,-0.2 0.060 72.5 123.0-127.9 24.9 32.5 12.1 27.2 125 126 A N T 4>S+ 0 0 10 1,-0.2 5,-2.8 -4,-0.2 4,-0.4 0.842 75.4 52.8 -66.6 -31.2 34.5 12.6 30.4 126 127 A R T >45S+ 0 0 99 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.915 108.2 50.3 -69.4 -41.9 34.3 8.9 31.4 127 128 A H T 345S+ 0 0 165 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.2 0.863 111.1 51.0 -58.6 -35.3 35.5 7.8 28.0 128 129 A A T 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -8,-0.2 -2,-0.2 0.515 113.5-120.5 -81.6 -6.7 38.4 10.3 28.4 129 130 A G T < 5S+ 0 0 17 -3,-1.1 -32,-2.0 -4,-0.4 2,-0.5 0.770 72.2 123.5 74.2 29.0 39.2 8.9 31.9 130 131 A L E < - f 0 97A 0 -5,-2.8 -32,-0.2 -34,-0.2 -1,-0.2 -0.955 45.4-161.3-133.9 115.7 38.6 12.2 33.6 131 132 A G E - f 0 98A 0 -34,-2.7 -32,-2.9 -2,-0.5 2,-0.4 -0.447 19.9-141.3 -77.3 163.9 36.3 13.2 36.4 132 133 A L E -af 6 99A 0 -127,-2.1 -125,-3.7 -34,-0.2 2,-0.5 -0.997 19.1-173.6-130.7 135.2 35.5 16.9 36.9 133 134 A I E -af 7 100A 8 -34,-2.3 -32,-3.2 -2,-0.4 2,-0.5 -0.974 18.7-177.9-119.7 112.9 35.0 19.0 40.0 134 135 A L E -af 8 101A 0 -127,-3.0 -125,-3.5 -2,-0.5 2,-0.4 -0.932 4.5-167.8-112.4 129.9 33.8 22.5 38.9 135 136 A S E +a 9 0A 3 -34,-2.3 -31,-2.3 -2,-0.5 -30,-0.3 -0.920 10.2 167.7-120.5 148.4 33.2 25.3 41.4 136 137 A T E -a 10 0A 0 -127,-2.2 -125,-2.1 -2,-0.4 3,-0.1 -0.981 37.1-128.9-150.8 160.3 31.5 28.6 41.0 137 138 A Q S S+ 0 0 47 -2,-0.3 2,-0.4 -127,-0.2 -1,-0.1 0.932 92.1 24.3 -76.9 -50.5 30.1 31.5 43.0 138 139 A R S > S- 0 0 76 1,-0.1 3,-2.0 -128,-0.1 4,-0.4 -0.927 73.5-125.3-121.9 145.0 26.6 31.8 41.6 139 140 A V G > S+ 0 0 1 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.891 110.2 55.9 -49.3 -41.9 24.4 29.2 39.8 140 141 A Y G 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.0 -30,-0.1 0.341 83.9 83.6 -82.8 7.7 24.0 31.5 36.8 141 142 A D G < S+ 0 0 36 -3,-2.0 -31,-2.5 -32,-0.1 -1,-0.2 0.797 88.3 59.7 -72.4 -32.7 27.7 31.9 36.2 142 143 A L B < S-I 109 0B 0 -3,-1.1 -33,-0.2 -4,-0.4 -37,-0.1 -0.634 98.8 -89.4-101.5 154.6 27.8 28.6 34.2 143 144 A M >> - 0 0 7 -35,-2.1 3,-2.1 -2,-0.2 4,-0.6 -0.405 37.3-124.7 -51.7 132.5 26.1 27.4 31.0 144 145 A P H >> S+ 0 0 9 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.778 108.6 71.8 -49.0 -30.5 22.9 25.6 32.0 145 146 A I H 3> S+ 0 0 3 171,-0.3 4,-1.8 1,-0.3 5,-0.1 0.776 84.8 64.5 -63.0 -27.7 24.3 22.7 30.2 146 147 A V H <> S+ 0 0 0 -3,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.922 103.7 46.8 -61.9 -42.1 26.8 22.0 32.9 147 148 A Y H << S+ 0 0 2 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.839 109.5 53.6 -70.3 -33.2 24.0 21.3 35.4 148 149 A K H < S+ 0 0 81 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.1 42.7 -68.5 -32.6 22.3 19.0 32.9 149 150 A Q H < S+ 0 0 58 -4,-1.8 -1,-0.2 2,-0.0 -143,-0.2 0.575 91.8 109.0 -91.8 -10.0 25.5 17.0 32.5 150 151 A A < - 0 0 2 -4,-0.9 -143,-0.2 -3,-0.2 3,-0.1 -0.259 52.5-159.8 -63.5 150.8 26.5 16.9 36.1 151 152 A D S S+ 0 0 13 -145,-2.5 41,-2.0 1,-0.4 42,-0.7 0.761 84.7 18.7 -92.6 -38.4 26.3 13.7 38.1 152 153 A L E -bG 7 191A 37 -146,-2.2 -144,-2.4 39,-0.2 2,-0.5 -0.997 65.7-165.2-134.9 135.7 26.3 15.5 41.5 153 154 A I E -bG 8 190A 0 37,-2.6 37,-3.2 -2,-0.4 2,-0.5 -0.985 6.9-165.1-123.2 123.9 25.5 19.1 42.2 154 155 A I E -bG 9 189A 5 -146,-3.4 -144,-2.5 -2,-0.5 2,-0.4 -0.916 9.8-177.3-111.0 129.8 26.5 20.6 45.6 155 156 A M E -bG 10 188A 3 33,-2.2 33,-2.9 -2,-0.5 -144,-0.2 -0.990 13.7-155.2-133.9 134.5 24.9 23.9 46.7 156 157 A F - 0 0 8 -146,-2.4 31,-0.1 -2,-0.4 28,-0.1 -0.399 53.7 -49.7 -92.6 176.6 25.4 26.1 49.8 157 158 A Y + 0 0 117 29,-0.5 -145,-0.3 26,-0.3 2,-0.3 -0.086 65.3 153.8 -51.8 138.3 22.8 28.5 51.1 158 159 A T + 0 0 5 21,-1.0 24,-0.1 -3,-0.1 -3,-0.0 -0.896 27.7 173.9-157.6 147.6 21.1 31.0 48.8 159 160 A R + 0 0 139 -2,-0.3 21,-0.1 22,-0.1 -1,-0.0 0.178 40.6 133.1-127.2 13.8 17.8 32.9 48.6 160 161 A E > - 0 0 39 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.511 54.2-141.1 -69.0 124.5 18.7 35.0 45.6 161 162 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.828 98.7 52.5 -63.8 -36.7 15.6 34.8 43.3 162 163 A N H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 112.4 47.6 -62.4 -44.6 17.5 34.6 40.0 163 164 A E H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 110.5 50.9 -61.4 -40.5 19.5 31.8 41.5 164 165 A L H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 109.1 51.6 -67.4 -40.0 16.4 30.0 42.8 165 166 A R H X S+ 0 0 150 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 110.9 47.3 -58.7 -47.5 14.8 30.2 39.3 166 167 A W H X S+ 0 0 39 -4,-2.1 4,-3.1 2,-0.2 5,-0.5 0.910 112.0 50.8 -58.4 -46.3 17.9 28.7 37.6 167 168 A I H X>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 4,-1.4 0.895 113.1 45.4 -61.1 -40.8 18.0 25.9 40.2 168 169 A S H <5S+ 0 0 55 -4,-2.4 5,-0.4 3,-0.2 -2,-0.2 0.936 118.7 43.0 -64.8 -44.9 14.3 25.2 39.6 169 170 A K H <5S+ 0 0 137 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.890 129.6 19.6 -71.6 -42.8 14.7 25.3 35.9 170 171 A Y H <5S+ 0 0 45 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.515 134.8 20.9-112.3 -10.0 18.0 23.4 35.4 171 172 A I T <5S- 0 0 18 -4,-1.4 2,-0.3 -5,-0.5 -3,-0.2 0.612 116.8 -43.5-121.9 -77.5 18.5 21.3 38.5 172 173 A S >< - 0 0 23 -5,-2.5 4,-2.1 1,-0.1 -3,-0.2 -0.890 25.8-143.1-166.2 133.6 15.4 20.6 40.6 173 174 A A H > S+ 0 0 68 -5,-0.4 4,-0.9 -2,-0.3 -5,-0.1 0.806 110.8 51.9 -66.6 -28.6 12.5 22.6 41.9 174 175 A E H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.853 106.6 53.3 -75.0 -35.0 12.7 20.7 45.1 175 176 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.910 104.6 55.5 -61.1 -42.3 16.4 21.5 45.3 176 177 A A H X S+ 0 0 6 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.797 107.2 51.8 -62.2 -29.1 15.5 25.2 45.0 177 178 A E H >< S+ 0 0 103 -4,-0.9 3,-0.6 1,-0.1 4,-0.2 0.957 113.0 41.0 -68.1 -53.2 13.2 24.8 48.0 178 179 A K H >< S+ 0 0 72 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.729 102.4 66.1 -73.1 -28.0 15.8 23.2 50.3 179 180 A V H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 -21,-1.0 0.830 91.1 67.5 -67.7 -28.1 18.7 25.4 49.5 180 181 A K T << S+ 0 0 83 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.695 103.1 44.1 -62.2 -23.0 16.9 28.4 51.0 181 182 A T T < S+ 0 0 87 -3,-1.3 -1,-0.2 -4,-0.2 2,-0.2 0.236 78.2 131.0-113.9 17.1 17.1 27.0 54.5 182 183 A L < - 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0 0 25 -5,-1.9 4,-1.6 1,-0.1 -3,-0.1 -0.904 24.6-125.6-170.7 151.2 38.6 13.4 8.5 375 174 B A H > S+ 0 0 66 -2,-0.3 4,-1.1 -5,-0.2 -5,-0.1 0.860 112.7 54.7 -64.0 -36.9 41.5 14.2 6.3 376 175 B E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.899 106.0 50.4 -64.6 -42.9 40.4 11.4 3.9 377 176 B A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 106.3 56.0 -61.1 -40.1 36.9 12.7 3.5 378 177 B A H X S+ 0 0 10 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.782 110.0 46.8 -66.6 -27.4 38.3 16.2 2.6 379 178 B E H >< S+ 0 0 100 -4,-1.1 3,-0.6 -3,-0.3 4,-0.3 0.911 113.9 45.6 -78.6 -44.6 40.3 14.5 -0.1 380 179 B K H >< S+ 0 0 113 -4,-2.4 3,-2.2 1,-0.2 4,-0.4 0.847 102.3 65.4 -64.8 -35.0 37.4 12.4 -1.5 381 180 B V H >< S+ 0 0 0 -4,-2.7 -21,-0.9 1,-0.3 3,-0.8 0.829 97.2 57.3 -61.0 -28.6 35.0 15.4 -1.4 382 181 B K T << S+ 0 0 88 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.618 105.6 51.7 -70.7 -15.1 37.2 17.0 -4.1 383 182 B T T < S+ 0 0 88 -3,-2.2 2,-0.2 -4,-0.3 -1,-0.2 0.358 77.2 128.3-106.8 3.2 36.6 14.0 -6.3 384 183 B L < - 0 0 29 -3,-0.8 3,-0.1 -4,-0.4 2,-0.1 -0.431 50.9-138.2 -67.7 127.0 32.8 13.8 -6.3 385 184 B K > - 0 0 136 -2,-0.2 3,-2.5 1,-0.2 -26,-0.2 -0.301 47.8 -61.2 -73.9 166.9 31.1 13.6 -9.7 386 185 B Q T 3 S+ 0 0 146 1,-0.3 -1,-0.2 -28,-0.1 3,-0.1 -0.245 125.4 2.3 -56.3 131.5 27.9 15.6 -10.3 387 186 B Y T 3 S+ 0 0 128 -167,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.453 103.0 126.7 64.9 2.9 25.1 14.6 -8.0 388 187 B H < - 0 0 55 -3,-2.5 -29,-0.5 16,-0.0 2,-0.3 -0.602 40.9-166.9 -81.6 150.1 27.5 12.2 -6.3 389 188 B F - 0 0 18 -2,-0.2 2,-0.4 -31,-0.1 -31,-0.2 -0.982 17.6-129.5-138.4 154.0 27.8 12.4 -2.5 390 189 B L E -Q 357 0D 7 -33,-2.8 -33,-1.9 -2,-0.3 2,-0.6 -0.792 15.7-153.8 -99.7 140.1 30.2 11.1 0.1 391 190 B I E -Q 356 0D 22 9,-0.4 9,-3.4 -2,-0.4 2,-0.6 -0.966 8.6-166.3-115.2 114.0 28.8 9.3 3.2 392 191 B Y E -QR 355 399D 6 -37,-3.1 -37,-2.2 -2,-0.6 2,-0.9 -0.891 11.1-149.3-101.3 120.1 31.0 9.5 6.3 393 192 B D E >> -QR 354 398D 23 5,-3.2 4,-1.3 -2,-0.6 5,-1.3 -0.785 9.8-170.0 -86.0 108.9 30.1 7.1 9.1 394 193 B V T 45S+ 0 0 21 -41,-1.4 -1,-0.2 -2,-0.9 -40,-0.1 0.860 83.5 53.1 -72.6 -32.8 31.2 9.0 12.2 395 194 B N T 45S+ 0 0 109 -42,-0.8 -1,-0.2 1,-0.2 -41,-0.1 0.931 120.9 29.7 -68.0 -46.4 30.7 5.9 14.4 396 195 B S T 45S- 0 0 60 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.532 101.3-131.9 -89.4 -5.5 32.8 3.6 12.3 397 196 B Q T <5 + 0 0 124 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.871 65.0 124.7 58.0 38.0 35.1 6.4 11.1 398 197 B T E < -R 393 0D 63 -5,-1.3 -5,-3.2 -21,-0.0 2,-0.6 -0.917 69.7-114.4-130.0 155.7 34.7 5.1 7.6 399 198 B I E -R 392 0D 58 -2,-0.3 2,-0.7 -7,-0.2 -7,-0.2 -0.802 39.1-137.2 -86.1 122.3 33.7 6.3 4.1 400 199 B K - 0 0 81 -9,-3.4 -9,-0.4 -2,-0.6 2,-0.1 -0.731 9.6-138.1 -96.1 113.3 30.5 4.3 3.3 401 200 B I + 0 0 164 -2,-0.7 2,-0.3 -11,-0.1 -11,-0.0 -0.411 35.8 156.7 -72.0 142.3 30.3 3.0 -0.3 402 201 B H - 0 0 61 -2,-0.1 -11,-0.0 3,-0.0 -1,-0.0 -0.980 44.1 -82.9-161.8 160.9 26.9 3.3 -1.9 403 202 B K - 0 0 166 -2,-0.3 2,-1.9 1,-0.1 0, 0.0 -0.475 41.8-118.4 -74.2 142.9 25.0 3.5 -5.2 404 203 B P 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -16,-0.0 -0.503 360.0 360.0 -83.5 74.1 24.8 6.9 -7.0 405 204 B I 0 0 117 -2,-1.9 -180,-0.0 -180,-0.0 -3,-0.0 -0.190 360.0 360.0 -60.9 360.0 21.0 7.2 -6.9