==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 31-AUG-10 3OOL . COMPND 2 MOLECULE: INTRON ENCODED ENDONUCLEASE I-SCEI; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.JOSHI,J-H.CHEN,B.L.GOLDEN,F.S.GIMBLE . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.7 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 . 2 0.9 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N 0 0 184 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 162.9 8.5 21.4 20.3 2 4 A I - 0 0 27 17,-0.2 2,-0.2 18,-0.1 21,-0.1 -0.932 360.0-127.4-120.0 133.0 12.0 20.2 19.5 3 5 A K > - 0 0 143 -2,-0.4 3,-1.5 1,-0.1 4,-0.4 -0.525 20.6-126.5 -75.1 141.9 15.0 22.3 18.4 4 6 A K G >> S+ 0 0 34 1,-0.3 4,-2.3 -2,-0.2 3,-2.0 0.860 107.3 67.8 -55.8 -40.1 16.8 21.1 15.3 5 7 A N G 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.763 96.0 57.6 -50.0 -29.1 20.2 21.1 17.2 6 8 A Q G <4 S+ 0 0 127 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.685 118.3 26.9 -78.2 -20.7 18.7 18.1 19.2 7 9 A V T X4 S+ 0 0 1 -3,-2.0 3,-2.7 -4,-0.4 -2,-0.2 0.665 86.9 99.2-114.8 -22.0 18.0 15.9 16.2 8 10 A M T 3< S+ 0 0 55 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.516 94.5 35.5 -56.7 -10.3 20.5 16.8 13.4 9 11 A N T 3 S+ 0 0 147 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.132 93.4 108.4-129.0 21.7 22.9 13.9 14.1 10 12 A L S < S- 0 0 74 -3,-2.7 -3,-0.1 1,-0.2 -4,-0.0 -0.420 79.5 -77.7 -87.9 169.6 20.5 11.2 15.2 11 13 A G > - 0 0 40 -2,-0.1 3,-1.5 1,-0.1 6,-0.2 -0.229 41.7-110.4 -63.7 156.9 19.7 8.1 13.1 12 14 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.852 119.2 42.1 -57.8 -37.8 17.3 8.3 10.1 13 15 A N T 3 S+ 0 0 122 4,-0.1 2,-0.1 5,-0.0 -2,-0.1 0.226 83.6 140.1 -96.2 14.0 14.5 6.3 11.9 14 16 A S <> - 0 0 29 -3,-1.5 4,-2.0 1,-0.1 3,-0.3 -0.355 53.0-139.2 -61.2 131.5 15.1 8.1 15.3 15 17 A K H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 103.4 55.6 -62.4 -39.2 11.8 8.8 17.1 16 18 A L H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 107.4 50.6 -59.8 -37.5 13.0 12.2 18.2 17 19 A L H > S+ 0 0 12 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.932 110.0 48.9 -65.2 -47.7 13.7 13.1 14.5 18 20 A K H X S+ 0 0 95 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.822 111.5 50.2 -62.7 -32.9 10.2 11.9 13.5 19 21 A E H X S+ 0 0 84 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.862 110.6 49.6 -71.1 -37.6 8.8 14.1 16.3 20 22 A Y H >X S+ 0 0 12 -4,-2.0 3,-0.6 1,-0.2 4,-0.6 0.899 111.3 49.5 -64.2 -42.2 10.8 17.0 15.1 21 23 A K H >< S+ 0 0 43 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.854 104.1 59.6 -63.9 -36.7 9.5 16.4 11.5 22 24 A S H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.700 95.8 62.1 -68.6 -21.6 5.9 16.2 12.8 23 25 A Q H << S+ 0 0 64 -4,-0.7 2,-0.4 -3,-0.6 -1,-0.2 0.777 90.8 78.9 -71.7 -29.5 6.1 19.8 14.2 24 26 A L << + 0 0 22 -3,-0.9 82,-0.1 -4,-0.6 3,-0.1 -0.713 51.5 165.6 -85.8 127.2 6.7 21.2 10.7 25 27 A I + 0 0 123 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.834 56.8 8.1-106.7 -54.7 3.6 21.5 8.6 26 28 A E S S- 0 0 150 81,-0.0 -1,-0.3 79,-0.0 2,-0.2 -0.886 71.3-103.1-130.1 157.2 4.3 23.6 5.5 27 29 A L - 0 0 19 79,-0.4 2,-0.1 -2,-0.3 46,-0.0 -0.529 47.8-112.4 -63.6 144.3 7.1 25.3 3.7 28 30 A N > - 0 0 60 -2,-0.2 4,-1.9 1,-0.1 3,-0.4 -0.378 34.9 -97.0 -72.5 166.0 7.1 29.1 4.4 29 31 A I H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.834 124.3 51.9 -55.3 -35.5 6.2 31.4 1.4 30 32 A E H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 108.2 49.8 -71.1 -39.6 9.9 32.0 0.6 31 33 A Q H > S+ 0 0 3 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.847 115.3 44.4 -68.5 -34.9 10.8 28.3 0.5 32 34 A F H X S+ 0 0 28 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.940 114.3 47.4 -73.7 -50.8 7.9 27.5 -1.8 33 35 A E H X S+ 0 0 45 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.925 116.4 44.1 -56.6 -48.8 8.4 30.5 -4.1 34 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.843 107.0 62.7 -64.5 -34.5 12.2 29.8 -4.4 35 37 A G H X S+ 0 0 0 -4,-1.2 4,-2.6 -5,-0.2 5,-0.3 0.871 97.3 56.1 -57.6 -42.8 11.3 26.1 -4.9 36 38 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.930 111.4 43.4 -53.3 -50.5 9.5 26.9 -8.1 37 39 A G H X S+ 0 0 0 -4,-1.1 4,-0.8 1,-0.2 -2,-0.2 0.835 113.6 51.6 -65.3 -35.1 12.6 28.5 -9.5 38 40 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.875 109.4 47.9 -72.8 -39.0 14.9 25.8 -8.3 39 41 A I H <5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 110.8 51.6 -73.8 -30.0 12.8 23.0 -9.8 40 42 A L H <5S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.765 126.6 28.9 -66.8 -25.1 12.8 24.9 -13.1 41 43 A G T <5S- 0 0 14 -4,-0.8 -3,-0.2 -5,-0.1 -2,-0.1 0.687 130.1 -25.8-101.5-107.6 16.6 25.1 -12.5 42 44 A D T 5S+ 0 0 70 -5,-0.1 17,-0.3 2,-0.0 2,-0.3 0.252 91.8 115.4-104.6 11.2 19.0 22.8 -10.8 43 45 A A < - 0 0 11 -5,-2.6 2,-0.7 -8,-0.1 15,-0.2 -0.653 48.4-154.1 -99.3 140.3 16.8 21.0 -8.2 44 46 A Y E -A 57 0A 120 13,-1.8 13,-2.7 -2,-0.3 2,-0.5 -0.900 10.4-170.3-112.1 104.0 15.9 17.3 -8.0 45 47 A I E +A 56 0A 9 -2,-0.7 2,-0.3 11,-0.2 11,-0.2 -0.844 19.1 174.4 -96.4 124.6 12.6 16.7 -6.2 46 48 A R E -A 55 0A 59 9,-2.5 9,-2.2 -2,-0.5 2,-0.4 -0.960 26.7-156.6-138.5 148.9 12.1 13.0 -5.5 47 49 A S - 0 0 29 -2,-0.3 7,-0.1 7,-0.2 -2,-0.0 -0.966 7.6-177.2-121.7 140.6 9.8 10.5 -3.8 48 50 A R S S+ 0 0 186 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.638 80.7 55.6-105.8 -30.4 10.9 7.0 -2.6 49 51 A D S S- 0 0 28 4,-0.3 2,-0.1 1,-0.0 -2,-0.1 -0.086 119.7 -79.7 -76.8-166.9 7.4 6.2 -1.5 50 52 A E S S- 0 0 153 1,-0.1 68,-0.0 -2,-0.1 -1,-0.0 -0.093 92.1 -58.6 -94.2 38.1 4.5 6.5 -4.0 51 53 A G S S+ 0 0 22 2,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.522 105.8 120.9 98.3 9.2 4.3 10.3 -3.6 52 54 A K S S+ 0 0 130 1,-0.2 2,-0.3 56,-0.0 56,-0.2 0.906 84.5 8.1 -67.5 -44.4 3.6 10.3 0.1 53 55 A T - 0 0 24 54,-0.1 -4,-0.3 55,-0.1 -2,-0.3 -0.951 66.8-160.4-134.3 157.3 6.7 12.4 0.8 54 56 A Y B -D 104 0B 20 50,-1.4 50,-2.3 -2,-0.3 53,-0.3 -0.971 3.0-170.3-131.7 151.1 9.3 14.3 -1.3 55 57 A C E -A 46 0A 16 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.5 -0.876 20.5-127.7-125.7 167.3 12.8 15.6 -0.6 56 58 A M E -A 45 0A 0 -2,-0.3 45,-2.1 -11,-0.2 2,-0.4 -0.973 16.4-157.6-115.2 131.8 15.0 17.8 -2.7 57 59 A Q E -AB 44 100A 65 -13,-2.7 -13,-1.8 -2,-0.5 2,-0.3 -0.914 12.8-163.6-107.6 139.4 18.6 16.8 -3.5 58 60 A F E + B 0 99A 7 41,-3.4 41,-2.0 -2,-0.4 2,-0.3 -0.911 16.5 172.8-126.3 146.9 21.1 19.5 -4.4 59 61 A E E + B 0 98A 79 -2,-0.3 2,-0.3 -17,-0.3 39,-0.2 -0.941 13.3 159.0-153.3 129.3 24.4 19.6 -6.1 60 62 A W E - B 0 97A 17 37,-1.8 37,-3.1 -2,-0.3 -2,-0.0 -0.988 42.4-143.0-151.1 145.3 26.4 22.7 -7.1 61 63 A K S S+ 0 0 173 -2,-0.3 2,-0.7 35,-0.3 -1,-0.1 0.895 91.0 80.3 -66.7 -43.7 29.9 23.8 -7.9 62 64 A N > - 0 0 39 1,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.540 62.1-171.8 -74.1 107.8 29.2 27.1 -6.1 63 65 A K H > S+ 0 0 74 -2,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.877 83.3 54.3 -69.1 -38.8 29.6 26.4 -2.3 64 66 A A H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 110.0 47.2 -64.1 -39.1 28.3 29.8 -1.2 65 67 A Y H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.943 111.7 50.5 -64.6 -48.6 25.1 29.3 -3.3 66 68 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 111.6 49.3 -51.5 -47.1 24.8 25.8 -1.8 67 69 A D H X S+ 0 0 67 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.912 110.1 50.7 -57.2 -47.7 25.2 27.4 1.6 68 70 A H H X S+ 0 0 60 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 111.6 46.5 -60.8 -44.5 22.5 30.0 0.8 69 71 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.886 110.8 53.5 -64.8 -39.5 20.0 27.4 -0.3 70 72 A C H < S+ 0 0 13 -4,-2.3 7,-0.2 -5,-0.2 -2,-0.2 0.839 110.5 46.9 -63.3 -35.3 20.7 25.3 2.8 71 73 A L H >< S+ 0 0 123 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.865 107.9 56.1 -72.7 -38.9 20.0 28.3 5.0 72 74 A L H 3< S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.3 3,-0.2 0.881 117.8 34.4 -58.8 -40.2 16.8 29.1 3.1 73 75 A Y T >X S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.8 -0.079 83.2 140.5-102.5 32.3 15.6 25.5 3.8 74 76 A D G X4 + 0 0 75 -3,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.835 67.2 50.2 -47.2 -52.9 17.3 25.5 7.3 75 77 A Q G 34 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.2 -51,-0.1 0.692 115.1 46.0 -62.7 -18.8 14.5 23.7 9.2 76 78 A W G <4 S+ 0 0 0 -3,-2.1 26,-2.0 -6,-0.2 2,-0.6 0.518 100.9 76.3 -98.9 -9.0 14.4 21.0 6.5 77 79 A V << + 0 0 6 -3,-1.4 24,-0.1 -4,-0.8 -1,-0.1 -0.915 47.8 176.2-115.8 114.1 18.2 20.5 6.2 78 80 A L + 0 0 33 -2,-0.6 -1,-0.1 22,-0.4 23,-0.1 0.841 64.3 51.8 -82.5 -36.8 20.0 18.5 8.9 79 81 A S S S- 0 0 57 21,-0.4 21,-0.2 1,-0.1 3,-0.1 -0.755 78.3-118.1-109.5 147.9 23.5 18.5 7.4 80 82 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.254 59.3 -72.9 -60.1 164.7 26.0 21.0 6.1 81 83 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 18,-0.2 -0.475 51.7-138.8 -65.2 134.0 26.9 20.6 2.4 82 84 A H E -C 98 0A 144 16,-3.1 16,-3.0 -2,-0.2 2,-0.2 -0.806 16.4-114.4 -99.7 137.0 29.3 17.7 1.9 83 85 A K E -C 97 0A 98 -2,-0.4 2,-0.6 14,-0.2 14,-0.2 -0.479 26.2-159.8 -69.6 130.8 32.2 17.8 -0.5 84 86 A K E -C 96 0A 74 12,-2.8 12,-1.7 -2,-0.2 2,-0.5 -0.950 9.3-176.5-116.8 111.2 31.9 15.6 -3.5 85 87 A E E +C 95 0A 100 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.937 10.0 173.4-111.3 123.1 35.2 14.7 -5.3 86 88 A R E -C 94 0A 169 8,-2.2 8,-2.7 -2,-0.5 2,-0.6 -0.928 28.2-126.9-133.6 153.5 35.1 12.6 -8.5 87 89 A V E -C 93 0A 112 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.888 26.1-137.7-105.4 120.3 37.5 11.4 -11.2 88 90 A N > - 0 0 72 4,-3.4 3,-0.6 -2,-0.6 -1,-0.0 -0.004 26.9-108.2 -59.4 169.3 36.6 12.0 -14.9 89 91 A H T 3 S+ 0 0 176 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.684 125.6 54.1 -71.3 -20.7 37.0 9.6 -17.8 90 92 A L T 3 S- 0 0 125 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.477 125.2-106.2 -89.1 -7.3 39.9 11.9 -18.8 91 93 A G S < S+ 0 0 54 -3,-0.6 2,-0.2 1,-0.3 -2,-0.1 0.368 74.0 140.5 97.5 -2.1 41.5 11.5 -15.3 92 94 A N - 0 0 97 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.489 52.6-121.2 -80.1 142.7 40.5 15.0 -14.1 93 95 A L E - C 0 87A 104 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.628 26.1-164.2 -81.9 136.1 39.3 15.8 -10.6 94 96 A V E - C 0 86A 63 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.4 -0.979 0.4-162.2-129.4 118.9 35.9 17.4 -10.3 95 97 A I E + C 0 85A 65 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.845 20.3 150.6-106.3 138.6 34.6 19.1 -7.2 96 98 A T E - C 0 84A 24 -12,-1.7 -12,-2.8 -2,-0.4 2,-0.4 -0.913 38.7-114.4-151.0 169.7 31.0 19.9 -6.4 97 99 A W E -BC 60 83A 53 -37,-3.1 -37,-1.8 -2,-0.3 2,-0.4 -0.964 25.5-159.2-122.3 128.7 28.9 20.3 -3.2 98 100 A G E +BC 59 82A 10 -16,-3.0 -16,-3.1 -2,-0.4 2,-0.3 -0.822 19.2 151.7-112.8 142.6 26.1 18.0 -2.2 99 101 A A E -B 58 0A 4 -41,-2.0 -41,-3.4 -2,-0.4 2,-0.3 -0.978 15.2-167.6-158.5 159.7 23.1 18.4 0.2 100 102 A Q E -B 57 0A 98 -2,-0.3 -21,-0.4 -43,-0.2 -22,-0.4 -0.994 19.8-128.8-151.5 149.4 19.6 17.3 0.7 101 103 A T - 0 0 3 -45,-2.1 -24,-0.2 -2,-0.3 2,-0.1 -0.551 40.4-105.5 -80.2 159.8 16.5 18.0 2.7 102 104 A F - 0 0 27 -26,-2.0 -46,-0.2 -2,-0.2 2,-0.2 -0.476 48.0 -89.2 -73.8 161.8 14.8 15.2 4.6 103 105 A K + 0 0 91 -2,-0.1 2,-0.3 -48,-0.1 -48,-0.3 -0.513 57.5 160.8 -76.1 143.5 11.6 13.8 3.0 104 106 A H B > -D 54 0B 11 -50,-2.3 3,-1.8 -2,-0.2 -50,-1.4 -0.963 51.1-121.3-163.0 144.7 8.4 15.5 4.1 105 107 A Q G >> S+ 0 0 129 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.733 107.6 74.1 -60.9 -23.4 4.8 15.9 2.9 106 108 A A G 34 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.2 -79,-0.4 0.760 91.0 57.6 -61.3 -25.3 5.4 19.7 2.9 107 109 A F G <> S+ 0 0 0 -3,-1.8 4,-2.0 -53,-0.3 3,-0.3 0.572 85.2 80.6 -80.5 -11.1 7.4 19.1 -0.3 108 110 A N H <> S+ 0 0 31 -3,-1.7 4,-3.1 -4,-0.2 5,-0.2 0.872 82.9 63.4 -59.0 -38.9 4.4 17.5 -2.0 109 111 A K H X S+ 0 0 129 -4,-0.5 4,-0.7 -3,-0.4 -1,-0.2 0.887 107.8 41.2 -54.3 -44.4 3.1 21.0 -2.8 110 112 A L H >> S+ 0 0 0 -4,-0.4 4,-0.8 -3,-0.3 3,-0.7 0.929 115.7 50.1 -67.4 -47.0 6.1 21.7 -5.0 111 113 A A H >X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.6 0.841 100.6 62.8 -62.9 -37.5 6.1 18.2 -6.5 112 114 A N H 3< S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 100.9 55.0 -58.7 -31.9 2.4 18.3 -7.5 113 115 A L H << S+ 0 0 24 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.839 128.6 11.1 -67.9 -36.5 3.1 21.2 -9.8 114 116 A F H << S+ 0 0 0 -4,-0.8 7,-2.6 -3,-0.6 2,-1.3 0.817 112.9 69.6-112.3 -50.9 5.9 19.4 -11.8 115 117 A I B < +E 120 0C 24 -4,-2.3 2,-0.4 5,-0.2 3,-0.2 -0.627 56.9 162.6 -85.6 91.0 6.0 15.7 -11.0 116 118 A V S S- 0 0 76 3,-1.4 3,-0.4 -2,-1.3 -4,-0.0 -0.928 71.3 -6.8-107.7 136.5 2.8 14.2 -12.5 117 119 A N S S- 0 0 159 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.883 130.0 -56.1 42.4 53.5 2.7 10.4 -13.0 118 120 A N S S+ 0 0 154 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.858 115.8 100.7 50.9 50.0 6.4 10.0 -12.1 119 121 A K S S- 0 0 144 -3,-0.4 -3,-1.4 -5,-0.1 2,-0.9 -0.918 75.9-114.7-161.5 131.9 7.8 12.4 -14.7 120 122 A K B +E 115 0C 75 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.584 51.2 157.8 -76.3 103.3 9.0 16.0 -14.4 121 123 A T - 0 0 36 -7,-2.6 44,-0.0 -2,-0.9 -2,-0.0 -0.644 38.7-121.0-116.8 173.6 6.6 18.1 -16.5 122 124 A I - 0 0 22 -2,-0.2 -8,-0.1 -7,-0.0 2,-0.1 -0.983 25.9-129.5-118.6 128.0 5.6 21.8 -16.7 123 125 A P > - 0 0 44 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.367 29.4-104.3 -74.8 160.1 1.9 22.8 -16.3 124 126 A N T 3 S+ 0 0 92 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.860 113.0 23.5 -55.2 -51.6 0.2 25.1 -18.8 125 127 A N T 3> S+ 0 0 66 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 -0.256 79.6 134.0-112.0 44.7 0.2 28.4 -16.9 126 128 A L H <>>S+ 0 0 2 -3,-1.4 4,-1.7 2,-0.2 5,-1.1 0.919 75.7 41.8 -59.4 -50.8 3.1 27.8 -14.5 127 129 A V H >5S+ 0 0 1 -4,-0.2 4,-0.5 -3,-0.2 -1,-0.2 0.937 115.6 50.3 -63.7 -49.2 4.8 31.2 -14.9 128 130 A E H 45S+ 0 0 41 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.892 122.3 29.7 -54.1 -46.9 1.5 33.2 -15.0 129 131 A N H <5S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.560 135.5 14.6-100.3 -11.5 0.1 31.6 -11.8 130 132 A Y H <5S+ 0 0 97 -4,-1.7 2,-0.7 -5,-0.2 -3,-0.2 0.645 87.7 102.2-133.1 -36.0 3.1 30.7 -9.6 131 133 A L << + 0 0 0 -5,-1.1 -1,-0.1 -4,-0.5 -97,-0.1 -0.452 46.9 178.7 -69.3 107.6 6.4 32.3 -10.8 132 134 A T > - 0 0 33 -2,-0.7 4,-2.2 -99,-0.2 5,-0.2 -0.434 48.1 -94.0 -94.5 174.8 7.2 35.3 -8.5 133 135 A P H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 80,-0.1 0.871 129.0 53.0 -57.5 -35.6 10.2 37.6 -8.6 134 136 A M H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.896 107.0 51.4 -65.0 -41.9 11.9 35.3 -6.1 135 137 A S H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 109.7 49.6 -58.7 -48.2 11.2 32.2 -8.2 136 138 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.862 107.8 55.3 -58.9 -39.4 12.8 34.0 -11.3 137 139 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.900 111.5 41.8 -61.9 -44.5 15.8 34.9 -9.2 138 140 A Y H X S+ 0 0 5 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.839 113.2 53.9 -74.3 -34.0 16.5 31.3 -8.2 139 141 A W H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.5 0.946 111.4 45.9 -60.1 -50.3 15.7 30.0 -11.7 140 142 A F H X S+ 0 0 1 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.933 111.1 51.7 -57.6 -48.6 18.3 32.5 -13.0 141 143 A M H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 119.0 38.4 -60.9 -30.5 20.9 31.5 -10.4 142 144 A D H < S+ 0 0 8 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.948 139.0 8.8 -78.3 -56.0 20.3 27.9 -11.4 143 145 A D H < S+ 0 0 14 -4,-3.5 18,-3.0 -5,-0.1 -3,-0.2 0.417 101.4 109.7-110.3 -5.8 20.0 28.1 -15.2 144 146 A G E < +F 160 0D 3 -4,-3.1 2,-0.3 -5,-0.5 16,-0.2 -0.329 30.3 125.7 -86.0 159.2 20.9 31.7 -16.1 145 147 A G E -F 159 0D 0 14,-1.8 14,-2.9 -2,-0.1 2,-0.2 -0.974 51.8 -55.0-178.2-170.1 23.8 33.3 -17.8 146 148 A K E -F 158 0D 61 -2,-0.3 12,-0.2 12,-0.2 3,-0.2 -0.524 20.9-153.5 -85.8 154.5 25.1 35.6 -20.6 147 149 A W S S+ 0 0 103 10,-1.6 2,-0.6 1,-0.2 -1,-0.1 0.738 94.4 45.0 -88.6 -32.9 24.4 35.2 -24.3 148 150 A D + 0 0 42 9,-0.5 -1,-0.2 7,-0.2 5,-0.1 -0.917 59.7 171.9-119.5 103.5 27.7 36.9 -25.1 149 151 A Y + 0 0 157 -2,-0.6 -1,-0.1 -3,-0.2 3,-0.1 0.400 36.6 128.0 -92.3 0.5 30.7 35.7 -23.1 150 152 A N > - 0 0 125 1,-0.1 3,-1.1 2,-0.1 2,-0.2 -0.277 69.7-104.9 -55.6 138.6 33.2 37.7 -25.1 151 153 A K T 3 S+ 0 0 192 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.488 105.8 17.9 -65.1 136.6 35.6 39.9 -23.1 152 154 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.785 90.1 165.8 69.1 32.5 34.6 43.6 -23.3 153 155 A S < - 0 0 39 -3,-1.1 -1,-0.2 -5,-0.1 -5,-0.0 -0.457 34.3-162.6 -76.4 148.3 31.1 42.8 -24.7 154 156 A T + 0 0 127 -2,-0.1 2,-0.4 69,-0.0 -1,-0.1 0.447 58.7 112.0-102.7 -7.2 28.4 45.5 -24.8 155 157 A N - 0 0 48 1,-0.1 -7,-0.2 -7,-0.0 -8,-0.1 -0.552 42.6-176.3 -77.1 124.2 25.6 42.9 -25.1 156 158 A K + 0 0 91 -2,-0.4 2,-0.2 67,-0.1 -1,-0.1 0.118 33.9 137.9-107.1 18.9 23.4 42.6 -22.1 157 159 A S - 0 0 1 1,-0.1 -10,-1.6 45,-0.0 -9,-0.5 -0.444 42.0-143.6 -70.4 136.6 21.2 39.7 -23.3 158 160 A I E -FG 146 198D 0 40,-2.4 40,-3.0 -12,-0.2 2,-0.4 -0.733 7.4-155.1-101.2 148.3 20.4 36.9 -20.8 159 161 A V E -FG 145 197D 9 -14,-2.9 -14,-1.8 -2,-0.3 2,-0.5 -0.974 4.6-159.5-119.3 137.3 20.1 33.2 -21.4 160 162 A L E -FG 144 196D 0 36,-2.3 36,-2.2 -2,-0.4 2,-1.6 -0.977 21.6-136.9-111.0 117.1 18.1 30.7 -19.4 161 163 A N + 0 0 63 -18,-3.0 3,-0.2 -2,-0.5 34,-0.1 -0.524 41.7 154.4 -77.9 84.8 19.4 27.1 -19.9 162 164 A T > + 0 0 0 -2,-1.6 3,-2.2 32,-0.2 -1,-0.2 -0.021 17.4 134.9-102.3 29.2 16.2 25.2 -20.3 163 165 A Q T 3 + 0 0 49 1,-0.3 -1,-0.2 30,-0.1 32,-0.1 0.584 63.4 62.8 -59.7 -15.6 17.6 22.3 -22.5 164 166 A S T 3 S+ 0 0 99 -3,-0.2 -1,-0.3 29,-0.1 2,-0.2 0.552 91.9 81.7 -88.3 -6.6 15.9 19.5 -20.5 165 167 A F S < S- 0 0 10 -3,-2.2 2,-0.1 29,-0.3 -44,-0.1 -0.640 86.4-105.3 -97.0 154.6 12.4 20.8 -21.5 166 168 A T > - 0 0 79 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.353 31.6-112.1 -69.3 157.2 10.5 20.1 -24.7 167 169 A F H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.877 119.3 53.1 -56.7 -39.4 10.2 22.9 -27.2 168 170 A E H > S+ 0 0 139 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 107.7 50.2 -65.1 -41.3 6.5 23.2 -26.5 169 171 A E H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 111.0 48.6 -62.3 -42.3 7.1 23.5 -22.7 170 172 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.870 105.9 56.9 -70.8 -37.8 9.6 26.3 -23.2 171 173 A E H X S+ 0 0 99 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 107.5 49.1 -56.1 -44.9 7.3 28.2 -25.6 172 174 A Y H X S+ 0 0 78 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.874 109.5 51.9 -62.6 -37.9 4.7 28.2 -22.8 173 175 A L H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.864 110.0 49.7 -64.0 -37.9 7.3 29.5 -20.4 174 176 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.938 106.7 54.1 -66.2 -47.3 8.2 32.3 -22.9 175 177 A K H X S+ 0 0 87 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.875 112.1 46.6 -52.7 -40.2 4.5 33.3 -23.2 176 178 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.4 0.919 109.3 51.1 -69.5 -48.6 4.3 33.6 -19.4 177 179 A L H X S+ 0 0 0 -4,-2.2 6,-1.5 1,-0.2 4,-1.3 0.856 113.0 47.6 -56.3 -40.1 7.5 35.6 -19.0 178 180 A R H X S+ 0 0 106 -4,-2.3 4,-0.7 4,-0.2 -1,-0.2 0.912 117.4 40.3 -68.1 -44.6 6.4 38.1 -21.7 179 181 A N H < S+ 0 0 94 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.824 123.1 35.5 -77.7 -35.8 2.8 38.6 -20.2 180 182 A K H < S+ 0 0 73 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.881 132.1 23.0 -87.8 -43.3 3.6 38.7 -16.5 181 183 A F H < S- 0 0 22 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.2 0.259 95.3-123.3-113.7 9.9 7.0 40.5 -16.3 182 184 A Q < + 0 0 134 -4,-0.7 2,-0.4 1,-0.2 -4,-0.2 0.725 53.7 161.9 54.9 26.8 6.9 42.4 -19.7 183 185 A L - 0 0 2 -6,-1.5 2,-1.4 -9,-0.1 -1,-0.2 -0.643 42.7-133.8 -81.5 127.2 10.2 40.8 -20.7 184 186 A N + 0 0 60 -2,-0.4 15,-2.2 15,-0.2 2,-0.3 -0.687 54.9 141.5 -78.0 93.2 11.1 40.8 -24.3 185 187 A C E +H 198 0D 0 -2,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.927 26.1 173.9-134.8 157.7 12.1 37.2 -24.7 186 188 A Y E -H 197 0D 101 11,-2.1 11,-3.0 -2,-0.3 2,-0.2 -0.971 37.3 -84.4-154.1 170.3 11.9 34.3 -27.1 187 189 A V E -H 196 0D 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.561 42.0-179.9 -76.9 136.4 13.1 30.7 -27.7 188 190 A K E -H 195 0D 62 7,-2.4 7,-2.3 -2,-0.2 2,-0.5 -0.864 24.7-107.4-130.0 172.5 16.4 30.0 -29.3 189 191 A I E +H 194 0D 103 -2,-0.3 2,-0.3 5,-0.2 7,-0.0 -0.861 32.6 163.8-112.3 128.5 18.4 26.8 -30.2 190 192 A N E > S-H 193 0D 68 3,-2.7 3,-0.9 -2,-0.5 -2,-0.0 -0.952 80.8 -12.1-138.0 121.4 21.4 25.2 -28.6 191 193 A K T 3 S- 0 0 168 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.892 125.9 -59.6 58.0 44.8 22.4 21.6 -29.4 192 194 A N T 3 S+ 0 0 144 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.757 120.8 107.9 52.7 30.0 19.0 21.1 -31.1 193 195 A K E < S- H 0 190D 110 -3,-0.9 -3,-2.7 -27,-0.1 2,-0.2 -0.945 73.3 -96.3-137.0 154.2 17.4 22.0 -27.7 194 196 A P E + H 0 189D 2 0, 0.0 2,-0.3 0, 0.0 -29,-0.3 -0.482 35.5 171.2 -83.2 138.8 15.6 25.0 -26.4 195 197 A I E - H 0 188D 7 -7,-2.3 -7,-2.4 -2,-0.2 2,-0.6 -0.905 32.8-118.4-126.2 161.0 17.0 27.9 -24.4 196 198 A I E -GH 160 187D 0 -36,-2.2 -36,-2.3 -2,-0.3 2,-0.6 -0.919 23.5-158.9-104.2 123.0 15.3 31.2 -23.4 197 199 A Y E -GH 159 186D 17 -11,-3.0 -11,-2.1 -2,-0.6 2,-0.6 -0.897 3.4-166.3-102.9 117.6 16.8 34.4 -24.9 198 200 A I E -GH 158 185D 0 -40,-3.0 -40,-2.4 -2,-0.6 -13,-0.2 -0.930 25.5-123.2-105.4 118.7 16.0 37.6 -23.0 199 201 A D > - 0 0 48 -15,-2.2 3,-1.1 -2,-0.6 -15,-0.2 -0.122 15.8-115.7 -63.6 154.8 17.0 40.7 -25.1 200 202 A S G > S+ 0 0 51 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.683 112.1 67.8 -62.8 -21.7 19.4 43.4 -23.8 201 203 A M G 3 S+ 0 0 119 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.882 102.7 45.4 -62.5 -39.6 16.6 46.0 -23.9 202 204 A S G <> S+ 0 0 0 -3,-1.1 4,-2.6 -18,-0.3 5,-0.2 0.312 82.1 105.1 -89.4 6.8 14.9 44.1 -21.1 203 205 A Y H <> S+ 0 0 36 -3,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.912 81.3 46.3 -54.9 -49.9 18.1 43.7 -19.0 204 206 A L H > S+ 0 0 118 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.851 112.3 51.4 -63.2 -36.9 17.1 46.4 -16.5 205 207 A I H > S+ 0 0 69 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 114.6 42.5 -65.6 -45.1 13.6 45.0 -16.1 206 208 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.908 114.9 50.2 -66.4 -45.0 14.9 41.5 -15.4 207 209 A Y H X S+ 0 0 65 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.852 107.6 53.4 -64.2 -38.7 17.7 42.7 -13.1 208 210 A N H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.789 107.7 51.2 -68.4 -30.5 15.3 44.8 -11.0 209 211 A L H < S+ 0 0 45 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.842 119.7 33.3 -72.9 -36.0 13.0 41.9 -10.4 210 212 A I H >X S+ 0 0 0 -4,-1.3 3,-2.1 1,-0.1 4,-1.1 0.638 91.7 91.1-100.9 -17.5 15.7 39.5 -9.2 211 213 A K T 3< S+ 0 0 83 -4,-1.9 3,-0.3 1,-0.3 -1,-0.1 0.817 80.3 60.4 -50.3 -40.7 18.1 41.9 -7.4 212 214 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.730 114.6 35.9 -60.9 -17.0 16.5 41.5 -4.0 213 215 A Y T <4 S+ 0 0 76 -3,-2.1 -2,-0.2 -80,-0.1 2,-0.1 0.568 91.6 97.9-117.6 -14.5 17.2 37.8 -4.0 214 216 A L < - 0 0 18 -4,-1.1 -76,-0.1 -3,-0.3 5,-0.0 -0.463 62.9-131.6 -81.7 153.1 20.6 37.2 -5.7 215 217 A I > - 0 0 15 -2,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.788 21.8-111.5-106.6 147.6 23.8 36.7 -3.8 216 218 A P G > S+ 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.835 114.7 55.9 -40.3 -51.5 27.2 38.4 -4.5 217 219 A Q G 3 S+ 0 0 89 1,-0.3 -152,-0.1 2,-0.1 -153,-0.1 0.254 105.6 53.3 -76.1 15.2 29.0 35.3 -5.7 218 220 A M G X S+ 0 0 4 -3,-2.3 3,-1.2 2,-0.1 -1,-0.3 0.334 82.5 89.2-120.2 -1.1 26.3 34.8 -8.4 219 221 A M G X + 0 0 61 -3,-2.0 3,-1.9 -4,-0.4 -2,-0.1 0.773 69.4 75.3 -69.4 -27.4 26.6 38.3 -9.9 220 222 A Y G 3 S+ 0 0 156 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.727 85.8 66.8 -55.5 -23.7 29.3 37.1 -12.3 221 223 A K G < S+ 0 0 29 -3,-1.2 -1,-0.3 -76,-0.1 -2,-0.2 0.747 86.0 84.7 -70.2 -27.2 26.4 35.5 -14.3 222 224 A L < 0 0 14 -3,-1.9 -76,-0.1 -4,-0.2 -64,-0.0 -0.563 360.0 360.0 -77.8 141.4 25.0 39.0 -15.1 223 225 A P 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 -0.379 360.0 360.0 -58.7 360.0 26.4 40.9 -18.2