==== 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 ISOMERASE 05-OCT-06 2IN3 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR M.E.CUFF,T.SKARINA,O.ONOPRIYENKO,A.EDWARDS,A.SAVCHENKO,A.JOA . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 45.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 0 0 0 1 1 0 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 4 A E 0 0 232 0, 0.0 176,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.2 29.2 31.0 16.7 2 5 A K - 0 0 80 1,-0.1 32,-0.1 32,-0.0 31,-0.1 -0.440 360.0-107.3 -72.9 145.4 32.1 33.2 17.5 3 6 A P - 0 0 27 0, 0.0 32,-2.9 0, 0.0 2,-0.4 -0.325 36.6-121.9 -60.9 155.5 31.6 36.7 18.8 4 7 A V E -aB 35 175A 23 171,-2.6 171,-2.9 30,-0.2 2,-0.7 -0.882 13.9-154.4-107.8 134.4 32.4 39.4 16.3 5 8 A L E -aB 36 174A 0 30,-2.7 32,-2.7 -2,-0.4 2,-0.6 -0.949 16.9-152.4-107.7 106.8 35.0 42.1 16.9 6 9 A W E -aB 37 173A 34 167,-3.5 167,-1.9 -2,-0.7 2,-0.7 -0.754 4.9-154.9 -82.0 122.3 34.1 45.1 14.8 7 10 A Y E -aB 38 172A 2 30,-3.3 32,-2.5 -2,-0.6 2,-0.8 -0.878 11.8-161.2 -94.5 110.1 36.9 47.4 13.8 8 11 A I E +aB 39 171A 0 163,-3.0 163,-2.3 -2,-0.7 2,-0.3 -0.861 35.4 129.8-102.9 110.1 35.2 50.7 13.2 9 12 A A E -a 40 0A 0 30,-0.8 32,-1.5 -2,-0.8 -2,-0.0 -0.958 49.3-135.8-159.2 159.7 37.6 52.8 11.1 10 13 A D > - 0 0 16 -2,-0.3 3,-2.0 30,-0.2 6,-0.2 -0.998 22.2-133.4-128.8 132.1 38.0 54.9 8.0 11 14 A P T 3 S+ 0 0 0 0, 0.0 103,-0.1 0, 0.0 -1,-0.1 0.712 108.3 54.3 -55.1 -26.2 41.0 54.5 5.6 12 15 A X T 3 S+ 0 0 6 73,-0.1 2,-0.5 102,-0.1 73,-0.0 0.077 82.5 102.5-100.8 25.8 41.5 58.4 5.7 13 16 A C <> - 0 0 31 -3,-2.0 4,-1.5 1,-0.1 3,-0.3 -0.940 63.1-152.5-103.6 120.9 41.7 58.6 9.5 14 17 A S H > S+ 0 0 12 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.876 93.7 52.4 -70.2 -39.7 45.4 59.0 10.5 15 18 A W H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.765 104.4 59.2 -66.0 -24.6 45.1 57.3 13.9 16 19 A C H > S+ 0 0 0 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.901 106.7 46.5 -65.3 -43.7 43.5 54.4 12.1 17 20 A W H >< S+ 0 0 7 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.907 110.3 53.4 -62.9 -39.5 46.8 54.1 10.1 18 21 A G H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.0 46.4 -57.0 -33.6 48.7 54.5 13.4 19 22 A F H >X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 3,-0.9 0.517 82.5 98.3 -90.7 -8.5 46.7 51.6 14.7 20 23 A A H S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.826 111.5 51.7 -62.7 -29.4 49.9 47.3 13.2 22 25 A V H <> S+ 0 0 14 -3,-0.9 4,-2.5 -4,-0.2 -2,-0.2 0.942 111.2 44.0 -74.7 -48.8 47.9 46.9 16.4 23 26 A I H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.884 110.8 57.0 -66.2 -31.1 44.7 45.5 14.7 24 27 A E H X S+ 0 0 101 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.943 109.7 45.2 -58.9 -48.9 47.0 43.3 12.6 25 28 A N H X S+ 0 0 50 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.919 111.6 51.9 -61.8 -43.3 48.4 41.7 15.7 26 29 A I H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.949 111.5 47.4 -58.5 -51.0 45.0 41.4 17.3 27 30 A R H X S+ 0 0 78 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.869 113.1 49.2 -54.2 -42.1 43.7 39.6 14.1 28 31 A Q H < S+ 0 0 129 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.8 34.5 -67.0 -38.5 46.8 37.4 14.2 29 32 A E H < S+ 0 0 98 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.845 125.1 34.2 -87.6 -36.9 46.4 36.5 17.9 30 33 A Y H >X S+ 0 0 8 -4,-3.4 3,-2.3 -5,-0.2 4,-2.1 0.406 79.3 105.1-104.1 2.0 42.6 36.3 18.5 31 34 A S T 3< S+ 0 0 49 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.595 77.4 59.7 -70.2 -10.4 41.1 35.0 15.2 32 35 A A T 34 S+ 0 0 74 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.669 119.6 29.1 -79.3 -15.4 40.4 31.5 16.7 33 36 A F T <4 S+ 0 0 123 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.616 124.5 35.4-121.6 -23.5 38.2 33.2 19.3 34 37 A L < - 0 0 0 -4,-2.1 2,-0.7 -32,-0.1 -1,-0.3 -0.993 69.8-132.1-135.1 138.9 36.8 36.4 17.7 35 38 A T E -a 4 0A 57 -32,-2.9 -30,-2.7 -2,-0.3 2,-0.5 -0.869 28.8-150.3 -91.4 116.6 35.7 37.0 14.1 36 39 A V E +a 5 0A 18 -2,-0.7 2,-0.3 -32,-0.2 -30,-0.2 -0.767 24.9 167.3 -97.1 121.7 37.4 40.4 13.3 37 40 A K E -a 6 0A 97 -32,-2.7 -30,-3.3 -2,-0.5 2,-0.4 -0.913 31.2-120.3-133.4 157.5 35.5 42.5 10.7 38 41 A I E -a 7 0A 18 -2,-0.3 -30,-0.2 -32,-0.2 -32,-0.1 -0.866 16.0-173.1-104.4 135.0 35.6 46.1 9.5 39 42 A X E -a 8 0A 7 -32,-2.5 -30,-0.8 -2,-0.4 2,-0.1 -0.917 27.7-137.6-117.3 95.4 32.7 48.5 9.7 40 43 A P E a 9 0A 10 0, 0.0 -30,-0.2 0, 0.0 121,-0.2 -0.350 360.0 360.0 -57.0 129.2 33.8 51.6 7.8 41 44 A G 0 0 21 -32,-1.5 117,-0.1 120,-0.1 -2,-0.1 -0.961 360.0 360.0 179.1 360.0 32.8 54.8 9.7 42 ! 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 43 49 A G 0 0 83 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.000 360.0 360.0 360.0 119.0 31.4 62.6 2.8 44 50 A T - 0 0 51 38,-0.1 42,-0.1 1,-0.0 38,-0.0 -0.992 360.0-168.7-153.8 161.8 32.2 66.0 1.3 45 51 A N + 0 0 128 -2,-0.3 37,-0.0 2,-0.1 -1,-0.0 0.083 62.5 92.7-138.8 26.1 32.7 68.1 -1.9 46 52 A T S S- 0 0 95 1,-0.0 37,-0.5 37,-0.0 3,-0.1 -0.928 82.6 -93.3-118.5 144.9 34.3 71.3 -0.8 47 53 A P B -D 82 0B 71 0, 0.0 2,-0.2 0, 0.0 35,-0.2 -0.174 46.4 -98.5 -53.4 147.0 38.0 72.0 -0.7 48 54 A L - 0 0 33 33,-2.2 32,-0.3 30,-0.2 33,-0.1 -0.519 40.6-126.1 -65.1 127.9 39.9 71.4 2.6 49 55 A L > - 0 0 126 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.544 16.8-116.8 -79.6 149.1 40.4 74.7 4.5 50 56 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.840 113.1 48.6 -54.6 -44.8 43.9 75.8 5.6 51 57 A E H > S+ 0 0 167 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.887 114.2 46.5 -61.8 -43.8 43.2 75.6 9.4 52 58 A K H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 110.2 53.4 -66.7 -41.8 41.6 72.2 9.0 53 59 A R H X S+ 0 0 83 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.920 108.0 50.7 -59.4 -43.1 44.5 71.0 6.9 54 60 A A H X S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 108.9 51.8 -63.6 -37.8 47.0 72.1 9.6 55 61 A Q H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.933 110.9 47.9 -60.9 -45.6 45.0 70.2 12.3 56 62 A I H X S+ 0 0 24 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 110.2 50.9 -63.6 -44.7 45.1 67.1 10.1 57 63 A L H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.851 105.9 55.5 -63.8 -33.9 48.9 67.4 9.5 58 64 A H H X S+ 0 0 118 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.923 107.2 51.2 -62.4 -41.0 49.5 67.8 13.2 59 65 A H H X S+ 0 0 89 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.921 108.4 51.7 -59.9 -43.7 47.6 64.5 13.7 60 66 A W H X S+ 0 0 5 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.944 110.0 47.8 -59.9 -50.5 49.9 62.9 11.0 61 67 A H H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.941 112.7 49.7 -53.8 -48.0 53.0 64.1 12.8 62 68 A S H X S+ 0 0 28 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.905 113.0 46.6 -56.1 -46.4 51.6 62.7 16.1 63 69 A V H X>S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.6 0.926 112.7 50.6 -61.6 -47.9 50.8 59.4 14.6 64 70 A H H X5S+ 0 0 73 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.945 115.0 39.9 -58.8 -50.0 54.2 59.2 12.9 65 71 A I H <5S+ 0 0 137 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.833 120.3 45.6 -75.0 -25.3 56.3 59.9 16.0 66 72 A T H <5S+ 0 0 82 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.868 132.0 15.2 -79.7 -38.7 54.1 57.8 18.3 67 73 A T H <5S- 0 0 37 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.546 90.0-125.4-115.9 -17.3 53.7 54.7 16.1 68 74 A G << + 0 0 50 -4,-2.3 -4,-0.2 -5,-0.6 -3,-0.1 0.459 55.4 151.3 78.4 -0.6 56.4 54.9 13.4 69 75 A Q - 0 0 32 -6,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.415 48.5-110.7 -67.6 137.6 53.8 54.6 10.6 70 76 A P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.416 37.1 175.6 -78.3 149.5 55.0 56.4 7.5 71 77 A F - 0 0 17 -2,-0.1 2,-0.7 45,-0.1 45,-0.2 -0.981 28.9-133.5-141.6 145.3 53.6 59.6 6.0 72 78 A T + 0 0 38 43,-2.8 46,-0.0 -2,-0.3 0, 0.0 -0.908 27.0 175.7 -97.7 108.7 54.8 61.6 3.0 73 79 A F > + 0 0 49 -2,-0.7 3,-2.1 2,-0.1 2,-0.2 0.782 46.4 101.8 -87.6 -29.2 54.7 65.2 4.3 74 80 A E T 3 S- 0 0 136 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.402 107.1 -8.7 -62.1 124.3 56.2 66.9 1.2 75 81 A N T 3 S+ 0 0 141 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.663 94.4 172.7 53.3 24.0 53.4 68.5 -0.7 76 82 A A < + 0 0 2 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.1 -0.235 59.9 0.0 -53.9 142.1 50.8 66.7 1.5 77 83 A L S S- 0 0 9 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.861 86.4-149.6 42.2 67.0 47.1 67.6 1.0 78 84 A P > - 0 0 81 0, 0.0 3,-2.1 0, 0.0 -30,-0.2 -0.215 30.1 -85.1 -65.6 155.2 47.6 70.2 -1.8 79 85 A E T 3 S+ 0 0 176 1,-0.3 3,-0.1 -32,-0.1 -30,-0.1 -0.375 119.3 38.2 -64.9 135.6 45.1 73.1 -2.0 80 86 A G T 3 S+ 0 0 40 1,-0.4 -1,-0.3 -32,-0.3 2,-0.1 0.111 82.7 137.7 107.4 -17.9 42.0 72.0 -3.9 81 87 A F < - 0 0 31 -3,-2.1 -33,-2.2 -33,-0.1 2,-0.6 -0.395 46.2-145.8 -63.2 134.7 42.1 68.6 -2.4 82 88 A I B -D 47 0B 56 -35,-0.2 2,-1.9 -3,-0.1 40,-0.1 -0.927 4.5-144.4-108.6 119.7 38.7 67.4 -1.4 83 89 A Y + 0 0 38 -2,-0.6 2,-0.8 -37,-0.5 -38,-0.1 -0.424 35.9 160.3 -86.5 64.4 38.6 65.2 1.7 84 90 A D + 0 0 27 -2,-1.9 4,-0.4 1,-0.1 -2,-0.1 -0.776 14.1 177.4 -91.7 105.9 35.8 62.8 0.7 85 91 A T > + 0 0 29 -2,-0.8 4,-1.7 1,-0.2 5,-0.2 0.596 59.6 83.7 -86.1 -9.5 36.0 59.7 2.8 86 92 A E H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 83.9 52.7 -66.9 -47.1 33.0 57.9 1.4 87 93 A P H > S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.908 110.0 48.6 -58.4 -39.6 34.4 56.2 -1.8 88 94 A A H > S+ 0 0 0 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.915 111.9 50.0 -66.2 -43.1 37.3 54.5 0.1 89 95 A C H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.936 110.7 50.2 -55.3 -47.6 34.8 53.3 2.7 90 96 A R H X S+ 0 0 28 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.797 105.8 56.6 -60.5 -30.7 32.6 51.9 -0.1 91 97 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.923 107.8 47.6 -67.3 -41.7 35.7 50.2 -1.7 92 98 A V H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 111.5 49.9 -62.7 -47.2 36.2 48.3 1.6 93 99 A V H X S+ 0 0 15 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.913 109.5 54.0 -57.3 -45.7 32.5 47.4 1.8 94 100 A S H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.7 0.891 106.9 48.6 -55.6 -46.7 32.7 46.2 -1.8 95 101 A V H 3X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 7,-0.3 0.862 104.2 61.4 -66.2 -33.7 35.7 43.9 -1.1 96 102 A S H 3< S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.3 45.3 -59.6 -30.1 33.8 42.5 1.9 97 103 A L H << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.719 121.4 38.5 -82.1 -28.2 31.1 41.3 -0.6 98 104 A I H < S- 0 0 29 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.923 138.3 -5.8 -87.7 -57.8 33.7 39.9 -3.1 99 105 A E >< - 0 0 41 -4,-3.0 3,-2.6 -5,-0.1 4,-0.3 -0.727 57.1-168.1-146.7 89.0 36.4 38.3 -0.9 100 106 A P G > S+ 0 0 81 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.784 87.7 64.8 -48.7 -33.2 36.0 38.8 2.9 101 107 A E G 3 S+ 0 0 135 1,-0.3 3,-0.1 2,-0.1 -5,-0.1 0.684 100.6 52.8 -65.9 -17.6 39.5 37.5 3.5 102 108 A K G <> S+ 0 0 45 -3,-2.6 4,-2.3 -7,-0.3 -1,-0.3 0.391 80.8 95.0-101.5 3.1 40.9 40.5 1.6 103 109 A V H <> S+ 0 0 11 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 0.926 86.9 42.3 -61.0 -53.6 39.1 43.2 3.5 104 110 A F H > S+ 0 0 22 -4,-0.4 4,-2.4 2,-0.2 5,-0.2 0.942 115.6 49.4 -64.0 -45.2 41.9 44.1 6.0 105 111 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.902 112.6 49.0 -56.8 -41.0 44.6 44.0 3.3 106 112 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.913 109.9 50.2 -65.7 -42.6 42.5 46.3 1.0 107 113 A F H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.936 114.0 45.8 -57.6 -48.7 41.9 48.8 3.9 108 114 A A H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.912 108.7 55.9 -64.3 -40.5 45.6 48.9 4.6 109 115 A A H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.884 108.2 48.6 -59.2 -41.4 46.5 49.2 0.9 110 116 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.936 110.5 50.9 -62.7 -46.1 44.2 52.3 0.7 111 117 A Q H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.886 112.6 45.3 -61.7 -40.9 45.9 53.9 3.8 112 118 A R H X>S+ 0 0 131 -4,-2.3 5,-2.4 1,-0.2 4,-2.0 0.906 111.7 52.0 -69.6 -40.1 49.4 53.4 2.4 113 119 A A H <5S+ 0 0 8 -4,-2.0 6,-2.9 -5,-0.2 -2,-0.2 0.838 118.2 38.9 -64.9 -36.4 48.4 54.7 -1.0 114 120 A F H X5S+ 0 0 9 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.963 123.2 34.7 -76.1 -60.5 46.9 57.8 0.6 115 121 A Y H <5S+ 0 0 0 -4,-2.9 -43,-2.8 -5,-0.2 -3,-0.2 0.863 137.9 17.6 -70.1 -35.4 49.4 58.6 3.4 116 122 A V T <5S+ 0 0 50 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.1 0.862 131.0 43.1-100.9 -50.4 52.6 57.5 1.6 117 123 A G T 4 - 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