==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-JAN-08 3C0X . COMPND 2 MOLECULE: INTRON-ENCODED ENDONUCLEASE I-SCEI; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.M.MOURE,F.S.GIMBLE,F.A.QUIOCHO . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12593.0 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 . 36 16.1 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 0.4 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 0 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 . 1 1 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 . 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 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 0 175 0, 0.0 2,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 137.9 65.9 82.9 17.4 2 4 A I - 0 0 17 17,-0.1 2,-0.3 14,-0.1 21,-0.0 -0.335 360.0-137.8 -60.7 129.8 65.1 80.2 14.8 3 5 A K >> - 0 0 129 1,-0.1 3,-2.2 -2,-0.1 4,-0.6 -0.702 15.3-124.5 -91.8 141.4 62.2 80.9 12.6 4 6 A K H >> S+ 0 0 41 -2,-0.3 4,-1.3 1,-0.3 3,-1.3 0.857 113.3 60.7 -49.8 -39.5 59.7 78.1 11.8 5 7 A N H 34 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.745 96.4 62.6 -61.1 -24.4 60.3 78.7 8.1 6 8 A Q H <4 S+ 0 0 103 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.738 115.8 26.1 -75.7 -23.4 64.0 77.9 8.7 7 9 A V H X< S+ 0 0 1 -3,-1.3 3,-1.3 -4,-0.6 2,-0.5 0.430 84.2 105.3-121.3 1.4 63.3 74.3 9.8 8 10 A M T 3< S+ 0 0 51 -4,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.135 91.8 37.3 -72.8 26.8 60.1 73.2 8.1 9 11 A N T 3 S+ 0 0 151 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.343 92.2 103.6-151.5 -3.5 61.9 71.1 5.6 10 12 A L S < S- 0 0 78 -3,-1.3 -3,-0.1 1,-0.1 -4,-0.0 -0.155 80.4 -78.0 -79.3 177.2 64.8 69.5 7.5 11 13 A G > - 0 0 35 1,-0.1 3,-3.0 2,-0.0 6,-0.2 -0.481 41.9-111.0 -76.7 148.1 65.1 66.0 8.8 12 14 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.706 121.0 47.5 -50.1 -22.2 63.3 65.0 11.9 13 15 A N T 3 S+ 0 0 128 4,-0.1 -2,-0.0 5,-0.0 5,-0.0 0.333 83.2 140.3-103.1 5.8 66.6 64.7 13.7 14 16 A S <> - 0 0 28 -3,-3.0 4,-1.8 1,-0.1 5,-0.2 -0.105 54.8-135.5 -51.8 144.2 68.0 68.0 12.4 15 17 A K H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 106.1 51.1 -68.7 -42.7 70.0 70.1 14.9 16 18 A L H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 106.6 55.7 -63.0 -39.1 68.2 73.3 13.9 17 19 A L H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.983 108.3 45.2 -58.8 -59.4 64.8 71.6 14.4 18 20 A K H X S+ 0 0 107 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.869 111.8 53.4 -54.0 -38.2 65.5 70.6 18.0 19 21 A E H X S+ 0 0 77 -4,-1.9 4,-0.6 2,-0.2 -1,-0.3 0.891 109.3 50.2 -64.3 -37.3 66.9 74.1 18.7 20 22 A Y H >X S+ 0 0 13 -4,-2.2 3,-2.2 -3,-0.5 4,-0.7 0.979 108.8 50.1 -61.7 -55.2 63.7 75.4 17.3 21 23 A K H >< S+ 0 0 41 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.773 104.6 59.2 -55.3 -28.5 61.6 73.2 19.5 22 24 A S H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.695 95.9 62.6 -75.9 -16.6 63.6 74.3 22.5 23 25 A Q H << S+ 0 0 63 -3,-2.2 2,-0.3 -4,-0.6 -1,-0.2 0.735 95.2 74.8 -75.9 -22.8 62.5 77.9 21.8 24 26 A L << + 0 0 26 -4,-0.7 82,-0.1 -3,-0.6 3,-0.1 -0.721 53.5 169.8 -92.2 139.8 58.9 76.7 22.4 25 27 A I - 0 0 118 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.713 56.7 -9.4-119.6 -38.7 57.8 76.1 26.0 26 28 A E - 0 0 102 81,-0.0 -1,-0.4 83,-0.0 81,-0.1 -0.994 68.3 -91.1-160.7 162.7 54.1 75.5 26.2 27 29 A L - 0 0 9 79,-0.7 2,-0.1 -2,-0.3 46,-0.0 -0.400 46.0-118.3 -72.4 153.3 50.8 75.7 24.3 28 30 A N > - 0 0 56 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.225 36.3 -88.2 -83.5-179.3 48.9 79.0 24.5 29 31 A I H > S+ 0 0 118 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.901 124.8 44.0 -60.6 -43.9 45.4 79.3 26.0 30 32 A E H >>S+ 0 0 90 1,-0.2 4,-3.1 2,-0.2 5,-0.7 1.000 110.9 51.1 -61.8 -67.0 43.6 78.6 22.8 31 33 A Q H >5S+ 0 0 3 1,-0.2 4,-0.7 41,-0.2 -1,-0.2 0.777 116.3 44.8 -39.2 -35.7 45.6 75.7 21.7 32 34 A F H X5S+ 0 0 29 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.947 115.5 43.2 -76.8 -53.3 45.1 74.2 25.1 33 35 A E H X5S+ 0 0 43 -4,-2.7 4,-1.0 1,-0.2 3,-0.3 0.892 118.5 44.2 -60.9 -44.1 41.4 74.8 25.5 34 36 A A H X5S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 3,-0.3 0.860 105.3 66.5 -68.2 -33.4 40.5 73.7 22.0 35 37 A G H XS+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 -2,-0.2 0.853 109.8 47.9 -64.9 -37.3 39.7 67.9 20.0 39 41 A I H <5S+ 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.934 114.1 45.1 -71.2 -43.0 40.9 65.1 22.2 40 42 A L H <5S+ 0 0 2 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.848 126.4 41.4 -64.4 -29.1 37.4 64.3 23.4 41 43 A G T <5S- 0 0 16 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.765 127.3 -45.0 -84.5-114.9 36.6 64.6 19.7 42 44 A D T 5S+ 0 0 71 -5,-0.1 -3,-0.2 2,-0.0 17,-0.1 0.562 97.3 102.0-104.5 -12.0 38.5 63.4 16.7 43 45 A A < - 0 0 12 -5,-2.5 2,-0.4 -6,-0.1 15,-0.2 -0.237 58.4-143.7 -72.4 164.1 42.0 64.4 17.5 44 46 A Y E -A 57 0A 115 13,-1.5 13,-3.4 2,-0.0 2,-0.6 -0.982 8.9-166.4-134.9 120.4 44.6 61.9 18.7 45 47 A I E +A 56 0A 23 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.930 22.6 172.3-109.6 112.5 47.3 62.7 21.3 46 48 A R E -A 55 0A 65 9,-1.6 9,-2.0 -2,-0.6 2,-0.4 -0.822 25.9-151.5-123.0 161.0 50.0 60.0 21.4 47 49 A S - 0 0 33 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.999 5.5-172.4-131.1 129.0 53.4 59.4 23.0 48 50 A R S S+ 0 0 194 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.588 81.1 48.6 -93.2 -19.4 56.1 57.2 21.5 49 51 A D S S- 0 0 23 4,-0.5 -2,-0.1 0, 0.0 0, 0.0 0.062 118.1 -78.9 -94.7-146.4 58.3 57.3 24.5 50 52 A E S S- 0 0 184 -2,-0.1 -3,-0.0 0, 0.0 -2,-0.0 0.354 93.1 -57.7-102.4 8.2 56.9 56.6 28.0 51 53 A G S S+ 0 0 18 2,-0.2 3,-0.1 -5,-0.0 57,-0.0 0.363 101.1 121.2 133.3 0.7 55.4 60.1 28.4 52 54 A K S S+ 0 0 150 1,-0.2 2,-0.3 56,-0.0 56,-0.2 0.905 87.5 3.5 -58.2 -41.3 58.4 62.3 27.9 53 55 A T - 0 0 26 54,-0.1 -4,-0.5 53,-0.1 2,-0.3 -0.971 63.5-158.6-145.1 160.1 56.7 64.0 25.0 54 56 A Y B -D 104 0B 32 50,-1.2 50,-2.1 -2,-0.3 53,-0.3 -0.970 2.9-169.2-138.3 151.4 53.4 64.0 23.0 55 57 A C E -A 46 0A 18 -9,-2.0 -9,-1.6 -2,-0.3 2,-0.5 -0.816 21.9-123.6-129.8 170.8 52.3 65.0 19.5 56 58 A M E -A 45 0A 0 -2,-0.3 45,-2.2 46,-0.2 2,-0.5 -0.980 16.1-155.2-124.4 130.5 48.8 65.3 18.1 57 59 A Q E -AB 44 100A 65 -13,-3.4 -13,-1.5 -2,-0.5 2,-0.4 -0.884 10.9-165.0-106.3 133.5 47.6 63.5 15.0 58 60 A F E + B 0 99A 7 41,-3.5 41,-1.8 -2,-0.5 2,-0.3 -0.911 15.3 165.4-119.2 144.0 44.7 64.9 12.9 59 61 A E E + B 0 98A 88 -2,-0.4 2,-0.3 39,-0.2 39,-0.2 -0.859 12.4 151.9-158.4 118.6 42.6 63.3 10.1 60 62 A W E - B 0 97A 23 37,-1.6 37,-2.9 -2,-0.3 -2,-0.0 -0.964 42.8-136.1-145.1 157.9 39.4 64.7 8.8 61 63 A K S S+ 0 0 159 -2,-0.3 2,-0.7 35,-0.2 -1,-0.1 0.934 89.1 77.4 -79.5 -51.6 37.4 64.6 5.5 62 64 A N > - 0 0 57 1,-0.2 4,-1.7 2,-0.1 3,-0.5 -0.456 64.5-164.9 -65.8 108.1 36.6 68.3 5.5 63 65 A K H > S+ 0 0 70 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.814 83.3 62.1 -62.8 -34.3 39.7 70.1 4.3 64 66 A A H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 108.0 43.1 -60.2 -40.3 38.5 73.6 5.4 65 67 A Y H > S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.882 107.9 59.2 -73.2 -40.9 38.4 72.5 9.1 66 68 A M H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.847 108.7 46.6 -57.0 -34.8 41.7 70.6 8.8 67 69 A D H X S+ 0 0 61 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.877 106.6 56.0 -76.0 -39.9 43.3 74.0 7.8 68 70 A H H X S+ 0 0 65 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.925 111.8 45.0 -57.7 -42.5 41.6 75.9 10.6 69 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 3,-0.3 0.936 112.6 48.6 -67.4 -49.0 43.1 73.5 13.1 70 72 A C H < S+ 0 0 14 -4,-1.9 7,-0.2 1,-0.3 6,-0.2 0.928 111.2 51.1 -57.4 -44.5 46.6 73.5 11.6 71 73 A L H >< S+ 0 0 123 -4,-2.8 3,-0.7 1,-0.2 -1,-0.3 0.809 108.2 53.8 -62.2 -30.1 46.5 77.3 11.5 72 74 A L H 3< S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.881 115.8 37.0 -70.8 -40.6 45.5 77.1 15.2 73 75 A Y T >X S+ 0 0 0 -4,-2.2 3,-2.9 1,-0.2 4,-0.8 0.079 84.0 142.7 -97.5 22.7 48.5 74.9 16.1 74 76 A D G X4 + 0 0 70 -3,-0.7 3,-1.7 1,-0.3 -1,-0.2 0.760 66.2 47.1 -27.6 -67.0 50.6 76.9 13.6 75 77 A Q G 34 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.708 115.9 48.9 -56.3 -22.1 53.9 76.9 15.4 76 78 A W G <4 S+ 0 0 0 -3,-2.9 26,-1.6 -6,-0.2 2,-0.6 0.526 98.3 73.3 -97.1 -8.8 53.5 73.2 16.1 77 79 A V << - 0 0 5 -3,-1.7 24,-0.1 -4,-0.8 -1,-0.1 -0.900 52.2-179.4-115.1 107.2 52.7 72.1 12.6 78 80 A L + 0 0 33 -2,-0.6 -1,-0.1 22,-0.3 23,-0.1 0.855 65.0 42.2 -70.4 -39.8 55.6 72.0 10.1 79 81 A S S S- 0 0 65 21,-0.3 21,-0.2 1,-0.1 3,-0.1 -0.730 81.9-109.0-113.9 160.4 53.8 70.8 7.0 80 82 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.292 60.1 -73.3 -74.0 170.8 50.5 71.5 5.2 81 83 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.266 46.8-129.7 -64.5 153.2 47.9 68.7 5.4 82 84 A H E -C 98 0A 138 16,-3.1 16,-3.3 -3,-0.1 2,-0.3 -0.921 15.9-124.1-110.1 130.1 48.5 65.6 3.2 83 85 A K E -C 97 0A 100 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.529 25.6-160.5 -70.5 126.6 45.8 64.2 1.0 84 86 A K E -C 96 0A 67 12,-4.1 12,-2.8 -2,-0.3 2,-0.6 -0.956 9.3-176.6-114.3 119.1 45.1 60.6 1.9 85 87 A E E +C 95 0A 110 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.955 12.6 167.2-119.7 113.6 43.3 58.5 -0.8 86 88 A R E -C 94 0A 166 8,-2.5 8,-2.9 -2,-0.6 2,-0.4 -0.795 28.6-128.9-123.9 167.4 42.4 54.9 0.1 87 89 A V E -C 93 0A 99 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.947 21.7-138.4-119.5 134.1 40.2 52.1 -1.2 88 90 A N - 0 0 69 4,-2.1 3,-0.3 -2,-0.4 -1,-0.0 -0.046 33.9 -99.2 -77.0-178.4 37.7 50.1 0.8 89 91 A H S S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.741 127.4 58.6 -73.2 -19.6 37.0 46.5 0.8 90 92 A L S S- 0 0 127 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.712 120.5-110.0 -77.8 -24.6 34.1 47.5 -1.5 91 93 A G S S+ 0 0 55 -3,-0.3 2,-0.2 1,-0.3 -2,-0.1 0.550 71.4 142.6 100.8 14.2 36.5 49.0 -4.0 92 94 A N - 0 0 86 1,-0.0 -4,-2.1 2,-0.0 2,-0.7 -0.550 52.1-124.5 -87.5 152.4 35.4 52.5 -3.2 93 95 A L E - C 0 87A 111 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.854 26.4-170.6-100.8 109.8 37.8 55.5 -3.1 94 96 A V E - C 0 86A 59 -8,-2.9 -8,-2.5 -2,-0.7 2,-0.4 -0.866 5.5-158.3-103.7 126.1 37.7 57.4 0.2 95 97 A I E + C 0 85A 52 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.871 20.7 153.9-108.3 135.8 39.5 60.7 0.4 96 98 A T E - C 0 84A 22 -12,-2.8 -12,-4.1 -2,-0.4 2,-0.4 -0.941 35.8-116.5-148.2 166.3 40.7 62.4 3.6 97 99 A W E -BC 60 83A 55 -37,-2.9 -37,-1.6 -2,-0.3 2,-0.3 -0.919 25.0-160.8-113.8 137.5 43.3 64.8 4.8 98 100 A G E +BC 59 82A 8 -16,-3.3 -16,-3.1 -2,-0.4 2,-0.3 -0.793 20.1 144.4-114.6 157.8 46.1 64.0 7.3 99 101 A A E -B 58 0A 6 -41,-1.8 -41,-3.5 -2,-0.3 2,-0.3 -0.959 14.2-177.1-176.9 165.0 48.3 66.2 9.4 100 102 A Q E -B 57 0A 99 -2,-0.3 -21,-0.3 -43,-0.3 -22,-0.3 -0.985 24.9-116.2-167.6 163.1 50.1 66.3 12.8 101 103 A T - 0 0 4 -45,-2.2 -24,-0.2 -2,-0.3 2,-0.1 -0.598 40.9-103.3-100.3 166.8 52.2 68.3 15.1 102 104 A F - 0 0 30 -26,-1.6 -46,-0.2 -2,-0.2 2,-0.2 -0.415 47.2 -91.1 -82.4 168.5 55.7 67.3 16.1 103 105 A K + 0 0 92 -48,-0.2 2,-0.3 -2,-0.1 -48,-0.3 -0.564 56.3 156.1 -81.2 148.2 56.1 65.8 19.6 104 106 A H B > -D 54 0B 14 -50,-2.1 3,-2.1 -2,-0.2 -50,-1.2 -0.931 52.4-118.2-168.4 144.2 57.0 68.2 22.5 105 107 A Q G >> S+ 0 0 127 1,-0.3 3,-2.1 -2,-0.3 4,-0.6 0.770 105.6 79.1 -60.0 -25.0 56.6 68.2 26.2 106 108 A A G 34 S+ 0 0 5 1,-0.3 -79,-0.7 2,-0.2 -1,-0.3 0.684 91.0 55.7 -56.7 -15.7 54.4 71.3 25.9 107 109 A F G X> S+ 0 0 0 -3,-2.1 4,-1.9 -53,-0.3 3,-0.8 0.656 83.7 81.5 -90.9 -17.9 51.7 68.7 24.9 108 110 A N H <> S+ 0 0 29 -3,-2.1 4,-2.9 -4,-0.3 5,-0.2 0.835 82.9 65.3 -55.1 -35.4 52.1 66.7 28.1 109 111 A K H 3< S+ 0 0 103 -4,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.902 106.5 40.4 -54.9 -46.1 49.8 69.2 29.9 110 112 A L H X4 S+ 0 0 0 -3,-0.8 3,-0.8 -4,-0.3 4,-0.5 0.902 115.1 52.1 -70.1 -42.9 46.9 68.2 27.7 111 113 A A H >< S+ 0 0 4 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.921 103.7 55.3 -61.3 -47.5 47.6 64.5 27.8 112 114 A N G >< S+ 0 0 89 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.660 93.9 71.0 -62.2 -16.7 47.8 64.3 31.5 113 115 A L G < S+ 0 0 20 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.780 103.4 43.0 -69.7 -24.8 44.4 65.8 31.7 114 116 A F G < S+ 0 0 2 -3,-2.1 7,-2.7 -4,-0.5 2,-0.5 0.148 98.9 93.3-105.6 16.9 43.1 62.5 30.4 115 117 A I E < +E 120 0C 57 -3,-1.2 2,-0.3 5,-0.2 5,-0.2 -0.951 42.0 162.2-118.6 126.1 45.4 60.2 32.5 116 118 A V E > S-E 119 0C 56 3,-1.8 3,-0.8 -2,-0.5 -3,-0.0 -0.999 73.8 -4.3-139.5 135.0 44.3 58.7 35.9 117 119 A N T 3 S- 0 0 165 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.864 130.9 -61.4 49.3 34.7 45.9 55.8 37.9 118 120 A N T 3 S+ 0 0 148 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.854 114.4 101.1 59.4 45.5 48.1 55.6 34.7 119 121 A K E < S-E 116 0C 148 -3,-0.8 -3,-1.8 2,-0.0 -1,-0.1 -0.966 78.4-103.7-154.2 137.9 45.5 54.8 32.1 120 122 A K E +E 115 0C 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.408 64.6 131.0 -60.5 135.3 43.9 57.0 29.5 121 123 A T - 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0 0 23 -4,-1.2 -76,-0.1 -3,-0.2 -77,-0.0 -0.399 60.6-136.5 -73.5 150.0 32.5 77.6 14.9 215 217 A I >> - 0 0 16 1,-0.1 3,-1.7 -2,-0.1 4,-0.7 -0.694 24.2-105.0-102.8 156.5 33.4 78.1 11.3 216 218 A P G >4 S+ 0 0 93 0, 0.0 3,-1.9 0, 0.0 2,-0.3 0.889 116.8 56.5 -41.9 -56.3 31.1 78.5 8.3 217 219 A Q G 34 S+ 0 0 87 1,-0.3 -152,-0.1 2,-0.1 -153,-0.1 0.159 108.8 48.4 -70.1 23.1 31.7 75.0 6.9 218 220 A M G X4 S+ 0 0 10 -3,-1.7 3,-1.8 -2,-0.3 -1,-0.3 0.386 82.1 90.7-135.4 -10.8 30.5 73.5 10.2 219 221 A M G X< S+ 0 0 76 -3,-1.9 3,-1.3 -4,-0.7 -2,-0.1 0.645 71.2 76.6 -62.8 -17.2 27.3 75.5 10.7 220 222 A Y G 3 S+ 0 0 155 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.616 82.0 68.5 -71.3 -13.2 25.5 72.7 8.8 221 223 A K G < S+ 0 0 29 -3,-1.8 -1,-0.3 -76,-0.1 -2,-0.2 0.671 86.6 84.1 -78.3 -19.2 25.7 70.6 12.0 222 224 A L < 0 0 12 -3,-1.3 -76,-0.1 -4,-0.2 -64,-0.0 -0.629 360.0 360.0 -88.9 145.1 23.3 73.0 13.8 223 225 A P 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -67,-0.1 -0.077 360.0 360.0 -56.7 360.0 19.4 72.7 13.5