==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-07 2JVI . COMPND 2 MOLECULE: SPORULATION INITIATION PHOSPHOTRANSFERASE F; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.G.BOBAY,P.D.MCLAUGHLIN,R.J.THOMPSON,J.A.HOCH,J.CAVANAGH . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 18 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 178 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 167.9 11.7 12.0 -9.0 2 2 A M - 0 0 87 1,-0.1 117,-0.0 118,-0.1 0, 0.0 -0.424 360.0-129.5 -64.5 144.2 8.6 11.0 -7.0 3 3 A N - 0 0 107 -2,-0.1 26,-0.2 26,-0.0 -1,-0.1 0.518 44.7-117.5 -77.4 -5.6 9.1 11.3 -3.3 4 4 A E - 0 0 1 24,-0.1 25,-3.1 1,-0.1 2,-0.3 0.905 40.9-172.8 69.6 101.9 7.7 7.8 -2.9 5 5 A K E -a 29 0A 28 23,-0.3 45,-2.0 42,-0.1 44,-1.9 -0.972 9.0-171.4-134.7 145.2 4.5 7.7 -0.8 6 6 A I E -ab 30 50A 0 23,-2.4 25,-2.0 -2,-0.3 2,-0.4 -0.909 12.9-157.5-136.7 156.4 2.2 5.0 0.6 7 7 A L E -ab 31 51A 0 43,-2.3 45,-2.8 -2,-0.3 2,-0.8 -0.987 10.4-158.5-133.5 120.2 -1.1 4.6 2.3 8 8 A I E -ab 32 52A 0 23,-2.2 25,-3.3 -2,-0.4 2,-1.4 -0.854 3.5-169.0-107.5 103.4 -1.8 1.6 4.4 9 9 A V E +ab 33 53A 0 43,-2.4 45,-2.9 -2,-0.8 2,-0.4 -0.664 36.5 135.0 -88.7 82.6 -5.5 0.9 4.9 10 10 A D - 0 0 0 23,-1.8 25,-0.1 -2,-1.4 -2,-0.1 -0.996 46.5-161.1-133.5 138.9 -5.4 -1.7 7.6 11 11 A D S S+ 0 0 67 -2,-0.4 2,-2.4 1,-0.2 3,-0.1 0.764 87.4 77.5 -85.8 -27.8 -7.5 -2.1 10.7 12 12 A Q S > S- 0 0 88 1,-0.2 4,-1.9 2,-0.1 3,-0.5 -0.544 70.3-172.9 -78.9 73.5 -4.9 -4.4 12.2 13 13 A Y H > S+ 0 0 157 -2,-2.4 4,-2.8 1,-0.2 5,-0.3 0.656 77.7 68.2 -48.5 -19.7 -2.7 -1.4 12.9 14 14 A G H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.998 108.0 34.4 -56.0 -69.7 -0.1 -3.9 13.9 15 15 A I H > S+ 0 0 59 -3,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.783 118.1 59.7 -51.0 -26.9 0.3 -5.1 10.3 16 16 A R H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.929 110.3 35.4 -77.0 -46.5 -0.4 -1.5 9.4 17 17 A I H X S+ 0 0 65 -4,-2.8 4,-2.8 -3,-0.4 5,-0.3 0.748 114.7 62.2 -77.0 -25.5 2.5 0.1 11.2 18 18 A L H X S+ 0 0 51 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.997 113.4 32.3 -53.9 -66.2 4.4 -3.0 10.3 19 19 A L H X>S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 5,-0.5 0.882 117.0 62.5 -57.2 -40.0 4.0 -2.2 6.6 20 20 A N H X5S+ 0 0 9 -4,-2.4 4,-2.6 -5,-0.2 10,-0.3 0.965 110.9 33.4 -51.5 -67.9 4.1 1.5 7.5 21 21 A E H X5S+ 0 0 103 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.859 114.8 62.1 -57.7 -39.6 7.7 1.5 8.9 22 22 A V H X5S+ 0 0 35 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.957 117.4 25.4 -55.2 -58.4 8.8 -1.1 6.4 23 23 A F H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-1.2 0.871 116.9 65.0 -73.7 -35.1 8.2 0.9 3.3 24 24 A N H >< S- 0 0 58 -25,-0.1 4,-3.1 24,-0.1 5,-0.1 -0.958 84.0-107.5-147.7 165.5 -10.5 2.9 7.3 36 36 A G H > S+ 0 0 2 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.732 120.3 51.8 -67.2 -23.2 -11.4 4.1 3.8 37 37 A L H > S+ 0 0 102 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.863 110.0 48.1 -76.5 -39.9 -12.3 7.5 5.1 38 38 A Q H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.956 112.6 50.5 -60.5 -44.9 -9.0 7.6 6.8 39 39 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.3 5,-0.3 0.874 107.0 51.8 -61.1 -44.4 -7.6 6.5 3.5 40 40 A L H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.923 112.5 47.7 -55.8 -44.8 -9.6 9.3 1.7 41 41 A D H X S+ 0 0 67 -4,-2.6 4,-1.6 1,-0.2 -2,-0.3 0.906 110.9 51.5 -61.6 -43.3 -8.0 11.7 4.2 42 42 A I H X>S+ 0 0 1 -4,-2.9 4,-3.5 2,-0.2 5,-1.2 0.922 110.4 46.6 -63.7 -47.3 -4.6 10.1 3.6 43 43 A V H <5S+ 0 0 0 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.926 116.1 46.3 -59.9 -42.4 -4.7 10.5 -0.2 44 44 A T H <5S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.744 118.2 43.8 -72.3 -22.2 -6.0 14.0 0.2 45 45 A K H <5S+ 0 0 91 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.886 138.7 3.0 -89.8 -44.9 -3.3 14.7 2.8 46 46 A E T <5S- 0 0 54 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.732 83.4-134.3-111.1 -35.7 -0.2 13.1 1.2 47 47 A R < - 0 0 109 -5,-1.2 -4,-0.2 -4,-0.3 -3,-0.1 0.970 30.0-154.9 69.0 59.8 -1.4 11.8 -2.1 48 48 A P - 0 0 0 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.249 15.5-150.9 -61.2 153.7 0.2 8.3 -1.8 49 49 A D S S+ 0 0 15 -44,-1.9 28,-2.2 1,-0.3 2,-0.6 0.799 86.6 42.8 -92.7 -34.1 1.1 6.5 -5.0 50 50 A L E -bc 6 77A 0 -45,-2.0 -43,-2.3 26,-0.2 2,-0.6 -0.943 69.0-174.5-118.6 113.3 0.7 3.1 -3.5 51 51 A V E -bc 7 78A 0 26,-2.5 28,-2.9 -2,-0.6 2,-1.3 -0.909 16.4-149.0-113.3 112.2 -2.2 2.4 -1.1 52 52 A L E -b 8 0A 2 -45,-2.8 -43,-2.4 -2,-0.6 2,-1.1 -0.628 16.6-164.1 -82.1 94.3 -2.4 -0.9 0.6 53 53 A L E -b 9 0A 0 -2,-1.3 28,-2.5 -45,-0.2 2,-1.0 -0.691 8.7-151.3 -83.0 98.8 -6.1 -1.5 0.9 54 54 A D B -d 81 0A 4 -45,-2.9 5,-0.3 -2,-1.1 3,-0.2 -0.582 13.6-175.9 -71.0 103.9 -6.7 -4.2 3.5 55 55 A M + 0 0 14 26,-1.7 -1,-0.2 -2,-1.0 27,-0.1 0.470 61.3 91.1 -80.3 -1.1 -10.0 -5.6 2.1 56 56 A K S S- 0 0 86 25,-0.2 -1,-0.2 26,-0.1 5,-0.1 0.977 112.3 -48.5 -56.9 -67.5 -10.1 -7.9 5.1 57 57 A I S S+ 0 0 106 -3,-0.2 -2,-0.1 3,-0.1 -47,-0.1 0.504 93.1 115.6-152.9 -22.9 -12.1 -6.0 7.8 58 58 A P S S- 0 0 14 0, 0.0 -3,-0.1 0, 0.0 -48,-0.1 0.774 99.7 -71.2 -33.6 -48.1 -10.8 -2.4 8.3 59 59 A G S S+ 0 0 63 1,-0.4 2,-0.3 -5,-0.3 -24,-0.1 0.124 101.7 14.0-175.5 -48.4 -14.1 -1.0 7.1 60 60 A M S S- 0 0 82 -6,-0.2 -1,-0.4 3,-0.0 -3,-0.1 -0.915 87.0 -74.4-143.4 163.3 -14.8 -1.3 3.4 61 61 A D > - 0 0 55 -2,-0.3 4,-2.0 1,-0.2 3,-0.5 -0.378 38.4-128.3 -61.2 136.6 -13.5 -3.2 0.4 62 62 A G H > S+ 0 0 0 -9,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.620 107.0 66.0 -63.7 -9.9 -10.3 -1.8 -0.8 63 63 A I H > S+ 0 0 3 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.951 102.8 41.5 -73.3 -52.6 -11.9 -1.6 -4.2 64 64 A E H > S+ 0 0 78 -3,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.863 120.2 46.7 -64.8 -33.2 -14.5 1.0 -3.2 65 65 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.880 110.8 51.3 -74.8 -37.7 -11.8 2.8 -1.4 66 66 A L H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.887 111.2 48.4 -67.0 -36.2 -9.3 2.5 -4.3 67 67 A K H X S+ 0 0 68 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.860 109.3 51.3 -75.8 -34.6 -11.8 3.9 -6.7 68 68 A R H X S+ 0 0 75 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.874 114.9 43.4 -66.8 -33.5 -12.7 6.8 -4.4 69 69 A M H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 7,-0.3 0.660 111.5 56.4 -82.8 -13.7 -8.9 7.5 -4.2 70 70 A K H < S+ 0 0 20 -4,-0.8 4,-0.4 2,-0.2 -2,-0.2 0.758 105.5 50.1 -79.1 -29.8 -8.9 6.9 -7.9 71 71 A V H < S+ 0 0 123 -4,-1.7 3,-0.2 2,-0.2 -2,-0.2 0.862 119.4 36.3 -78.5 -35.0 -11.4 9.6 -8.4 72 72 A I H < S+ 0 0 52 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.795 145.0 5.6 -81.1 -28.4 -9.4 12.0 -6.3 73 73 A D >< + 0 0 32 -4,-1.3 3,-1.9 -6,-0.2 -2,-0.2 -0.592 52.0 174.0-157.9 88.9 -6.2 10.4 -7.8 74 74 A E T 3 S+ 0 0 133 -4,-0.4 -4,-0.1 1,-0.3 -3,-0.1 0.504 84.1 76.8 -74.0 1.7 -6.2 7.8 -10.6 75 75 A N T 3 S+ 0 0 75 -6,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.767 85.0 87.0 -70.7 -27.3 -2.5 8.4 -10.3 76 76 A I < - 0 0 3 -3,-1.9 2,-0.3 -7,-0.3 -26,-0.2 -0.172 61.6-165.6 -74.2 161.3 -2.8 6.3 -7.3 77 77 A R E -c 50 0A 47 -28,-2.2 -26,-2.5 -29,-0.1 2,-0.3 -0.885 10.5-133.5-139.2 174.3 -2.6 2.6 -7.1 78 78 A V E -ce 51 98A 0 19,-1.4 21,-2.7 -2,-0.3 22,-0.8 -0.950 13.6-157.7-139.0 148.3 -3.5 0.1 -4.4 79 79 A I E - e 0 100A 1 -28,-2.9 22,-0.2 -2,-0.3 2,-0.1 -0.714 30.7-164.7-119.7 72.4 -2.1 -3.0 -2.8 80 80 A I E - e 0 101A 0 20,-0.6 22,-0.8 -2,-0.4 2,-0.4 -0.356 10.6-134.9 -68.6 141.7 -5.3 -4.5 -1.5 81 81 A M E +de 54 102A 21 -28,-2.5 -26,-1.7 20,-0.2 2,-0.3 -0.812 27.9 178.3-102.1 135.2 -5.0 -7.3 1.1 82 82 A T - 0 0 3 20,-2.5 2,-2.0 -2,-0.4 22,-0.4 -0.875 47.1-100.7-133.4 161.6 -7.0 -10.5 0.9 83 83 A A S S- 0 0 39 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.338 98.5 -59.7 -74.1 52.7 -7.6 -13.8 2.5 84 84 A Y S S- 0 0 178 -2,-2.0 -1,-0.2 18,-0.2 19,-0.1 0.762 108.5 -40.9 72.8 30.9 -5.3 -15.3 -0.1 85 85 A G - 0 0 35 17,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.970 56.1-171.9 85.9 76.5 -7.4 -14.2 -3.1 86 86 A E - 0 0 99 1,-0.2 3,-0.2 2,-0.0 -1,-0.1 0.249 38.1-140.8 -81.1 12.0 -11.1 -14.6 -2.6 87 87 A L S > S+ 0 0 102 1,-0.2 3,-2.3 2,-0.1 2,-0.8 0.059 71.6 59.9 54.4-169.0 -11.6 -13.7 -6.3 88 88 A D T 3> S+ 0 0 114 1,-0.3 4,-2.3 2,-0.2 3,-0.3 -0.363 119.7 30.5 58.1 -97.6 -14.4 -11.5 -7.7 89 89 A M H 3> S+ 0 0 60 -2,-0.8 4,-2.3 1,-0.2 -1,-0.3 0.835 120.2 59.3 -51.5 -37.0 -13.7 -8.4 -5.7 90 90 A I H <> S+ 0 0 9 -3,-2.3 4,-1.5 2,-0.2 5,-0.3 0.924 106.0 45.8 -58.8 -47.7 -10.1 -9.5 -5.9 91 91 A Q H > S+ 0 0 107 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.970 115.2 45.7 -60.7 -55.0 -10.1 -9.5 -9.7 92 92 A E H X S+ 0 0 80 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.803 107.1 63.6 -58.4 -33.6 -11.9 -6.1 -9.9 93 93 A S H >X>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.2 3,-1.1 0.988 112.1 30.0 -54.1 -74.8 -9.4 -4.8 -7.3 94 94 A K H ><5S+ 0 0 105 -4,-1.5 3,-0.7 1,-0.3 -1,-0.2 0.850 117.1 64.0 -52.3 -37.3 -6.2 -5.1 -9.2 95 95 A E H 3<5S+ 0 0 148 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.843 102.8 46.7 -56.0 -38.0 -8.3 -4.6 -12.3 96 96 A L H <<5S- 0 0 66 -4,-2.0 -1,-0.2 -3,-1.1 -2,-0.2 0.628 144.0 -59.9 -85.8 -15.1 -9.2 -1.1 -11.2 97 97 A G T <<5S+ 0 0 21 -4,-0.9 -19,-1.4 -3,-0.7 2,-0.4 0.403 90.5 133.1 147.5 4.2 -5.7 -0.0 -10.3 98 98 A A E < -e 78 0A 7 -5,-1.6 -1,-0.3 -21,-0.3 -19,-0.2 -0.684 37.6-161.3 -79.2 131.7 -4.5 -2.4 -7.5 99 99 A L E + 0 0 39 -21,-2.7 2,-0.3 -2,-0.4 -20,-0.2 0.945 68.9 5.8 -74.4 -49.3 -1.0 -3.6 -8.2 100 100 A T E -e 79 0A 24 -22,-0.8 -20,-0.6 -7,-0.0 2,-0.5 -0.929 52.1-142.9-140.1 153.5 -1.1 -6.6 -6.0 101 101 A A E -e 80 0A 29 -2,-0.3 -20,-0.2 -22,-0.2 2,-0.2 -0.825 30.6-166.6-117.0 85.7 -3.4 -8.5 -3.7 102 102 A F E -e 81 0A 20 -22,-0.8 -20,-2.5 -2,-0.5 -18,-0.2 -0.479 8.3-169.0 -76.4 145.7 -1.1 -9.5 -0.8 103 103 A A - 0 0 18 2,-0.5 -20,-0.2 -22,-0.2 -1,-0.1 -0.434 42.3 -68.9-121.7-168.4 -2.4 -12.2 1.6 104 104 A K S S+ 0 0 161 -22,-0.4 2,-1.2 1,-0.2 -21,-0.1 0.912 118.4 67.3 -52.9 -50.4 -1.7 -13.8 5.0 105 105 A P S S+ 0 0 84 0, 0.0 -2,-0.5 0, 0.0 2,-0.4 -0.647 70.9 154.7 -75.5 97.4 1.5 -15.5 3.6 106 106 A F - 0 0 75 -2,-1.2 3,-0.1 -4,-0.1 -4,-0.0 -0.995 44.5-150.3-129.2 133.5 3.7 -12.5 3.0 107 107 A D - 0 0 104 -2,-0.4 2,-2.9 1,-0.2 -1,-0.1 0.536 29.2-142.7 -72.7 -4.3 7.5 -12.5 2.9 108 108 A I S >> S+ 0 0 64 1,-0.2 4,-2.2 4,-0.0 3,-0.7 -0.407 99.3 60.7 63.1 -54.4 7.4 -8.9 4.2 109 109 A D H 3> S+ 0 0 36 -2,-2.9 4,-3.2 1,-0.3 5,-0.2 0.851 96.2 58.2 -65.2 -35.0 10.4 -8.3 1.9 110 110 A E H 3> S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.817 108.1 47.6 -65.1 -27.4 8.3 -9.3 -1.1 111 111 A I H <> S+ 0 0 3 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.920 117.2 39.3 -80.5 -44.5 5.9 -6.5 -0.2 112 112 A R H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.877 116.5 52.8 -69.7 -35.5 8.6 -3.9 0.3 113 113 A D H X S+ 0 0 17 -4,-3.2 4,-2.6 -5,-0.3 -2,-0.2 0.931 109.8 49.7 -63.8 -42.6 10.4 -5.3 -2.7 114 114 A A H X S+ 0 0 4 -4,-1.7 4,-1.4 -5,-0.2 5,-0.2 0.925 107.9 51.4 -60.3 -48.8 7.2 -5.0 -4.7 115 115 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.3 0.917 112.7 46.6 -61.3 -43.1 6.6 -1.4 -3.7 116 116 A K H < S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.962 111.3 49.9 -58.1 -56.0 10.2 -0.4 -4.7 117 117 A K H < S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.662 116.2 44.6 -65.7 -13.2 10.0 -2.2 -8.1 118 118 A Y H < S+ 0 0 110 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.822 139.6 2.5 -92.0 -41.2 6.7 -0.5 -8.8 119 119 A L S < S- 0 0 24 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.779 81.6-164.9-146.6 96.0 7.8 3.0 -7.6 120 120 A P + 0 0 77 0, 0.0 -118,-0.1 0, 0.0 -4,-0.1 -0.749 26.2 150.6 -96.4 123.7 11.5 3.1 -6.6 121 121 A L S S- 0 0 33 -2,-0.5 -94,-0.1 -118,-0.1 -117,-0.1 0.775 82.1 -44.1-105.4 -65.5 13.0 6.0 -4.6 122 122 A K S S+ 0 0 120 -96,-0.3 3,-0.2 5,-0.0 -95,-0.2 0.530 80.6 165.2-136.4 -58.0 15.8 4.6 -2.5 123 123 A S + 0 0 8 -97,-1.9 2,-0.6 1,-0.2 4,-0.1 0.348 39.2 48.2 60.3 171.1 14.6 1.3 -0.9 124 124 A N S S- 0 0 20 1,-0.2 -1,-0.2 -12,-0.1 4,-0.1 -0.485 91.7 -99.4 70.7-108.4 16.5 -1.5 0.8 125 125 A L S S+ 0 0 114 -2,-0.6 2,-0.4 2,-0.5 -1,-0.2 0.101 102.9 42.3-179.8 -43.3 18.9 -0.2 3.4 126 126 A E S S- 0 0 128 1,-0.4 3,-0.2 6,-0.3 -2,-0.1 -0.818 112.0 -69.1-133.5 90.7 22.3 -0.2 1.7 127 127 A H S S- 0 0 167 -2,-0.4 2,-0.7 1,-0.2 -2,-0.5 0.030 77.1 -58.3 60.2-169.7 22.5 1.0 -1.9 128 128 A H S S+ 0 0 129 -4,-0.1 2,-0.2 -3,-0.1 -1,-0.2 -0.867 78.9 151.8-109.3 95.9 21.0 -1.0 -4.7 129 129 A H - 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