==== 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 TRANSFERASE 29-AUG-00 1GGO . COMPND 2 MOLECULE: PROTEIN (PYRUVATE, PHOSPHATE DIKINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SYMBIOSUM; . AUTHOR Z.LI,O.HERZBERG . 869 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 45 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 5 4 2 3 2 5 1 2 2 2 2 4 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 4 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 . 3 2 6 2 1 1 2 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 1 0 1 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 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 2 A A 0 0 83 0, 0.0 59,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0-170.2 12.3 35.9 -37.1 2 3 A K + 0 0 129 1,-0.1 3,-0.1 2,-0.1 43,-0.1 0.772 360.0 148.4 22.1 83.3 16.0 35.3 -36.4 3 4 A W + 0 0 39 1,-0.2 39,-3.0 56,-0.2 2,-0.4 0.483 65.3 48.8-110.8 -11.5 16.2 31.5 -36.5 4 5 A V E -A 41 0A 16 37,-0.3 2,-0.4 41,-0.0 37,-0.2 -0.998 67.6-166.6-132.8 133.3 19.8 31.6 -37.8 5 6 A Y E -A 40 0A 30 35,-2.8 35,-3.0 -2,-0.4 5,-0.1 -0.967 20.7-125.3-124.0 135.6 22.7 33.6 -36.4 6 7 A K E > -A 39 0A 53 -2,-0.4 3,-1.4 33,-0.3 33,-0.2 -0.373 30.4-114.2 -70.6 153.8 26.1 34.2 -38.0 7 8 A F G > S+ 0 0 0 31,-1.8 3,-0.9 1,-0.3 23,-0.2 0.850 120.7 52.3 -57.1 -32.9 29.1 33.3 -35.8 8 9 A E G 3 S+ 0 0 106 30,-0.3 -1,-0.3 1,-0.2 31,-0.1 0.631 97.6 66.9 -79.8 -12.4 29.9 37.0 -35.7 9 10 A E G < S+ 0 0 101 -3,-1.4 2,-0.2 2,-0.0 -1,-0.2 0.344 107.8 31.0 -88.8 4.9 26.4 37.9 -34.6 10 11 A G < - 0 0 5 -3,-0.9 2,-0.3 -4,-0.2 20,-0.2 -0.812 56.4-169.8-147.2-172.2 26.9 36.1 -31.2 11 12 A N > - 0 0 48 -2,-0.2 3,-0.6 18,-0.1 7,-0.2 -0.920 55.8 -59.7-165.8-173.9 29.1 35.1 -28.4 12 13 A A G > S+ 0 0 42 -2,-0.3 3,-1.1 1,-0.2 11,-0.2 0.832 118.5 73.7 -49.6 -39.3 29.4 32.9 -25.2 13 14 A S G 3 S+ 0 0 97 1,-0.3 2,-1.7 10,-0.1 3,-0.5 0.914 92.8 50.0 -41.0 -63.5 26.5 34.9 -23.7 14 15 A M G <> + 0 0 41 -3,-0.6 4,-2.5 1,-0.2 -1,-0.3 -0.198 65.5 135.1 -80.6 50.6 23.8 33.4 -25.9 15 16 A R H <> S+ 0 0 83 -2,-1.7 4,-1.7 -3,-1.1 -1,-0.2 0.854 74.8 51.3 -62.2 -37.3 24.7 29.7 -25.2 16 17 A N H 4 S+ 0 0 80 -3,-0.5 -1,-0.2 2,-0.2 27,-0.2 0.878 113.2 46.2 -65.0 -40.4 21.0 28.9 -24.7 17 18 A L H 4 S+ 0 0 24 1,-0.2 26,-2.1 2,-0.1 27,-0.5 0.895 127.1 24.4 -68.5 -49.8 20.2 30.5 -28.0 18 19 A L H < S- 0 0 2 -4,-2.5 4,-0.4 1,-0.3 -2,-0.2 0.423 107.0-121.7-101.0 -2.4 22.9 29.0 -30.2 19 20 A G X - 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.3 -0.276 42.8 -61.9 84.9 179.3 23.7 25.9 -28.2 20 21 A G H > S+ 0 0 4 74,-2.2 4,-2.1 2,-0.2 5,-0.2 0.994 137.1 37.2 -67.7 -67.4 27.1 24.9 -26.8 21 22 A K H > S+ 0 0 27 73,-0.3 4,-3.5 1,-0.2 5,-0.4 0.871 112.6 68.8 -53.4 -34.2 29.3 24.7 -29.9 22 23 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.962 104.7 34.3 -48.2 -71.4 27.2 27.6 -31.1 23 24 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.884 118.9 53.9 -54.9 -40.8 28.5 30.2 -28.6 24 25 A N H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.940 110.8 44.5 -59.5 -51.0 32.0 28.6 -28.6 25 26 A L H X S+ 0 0 4 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.929 117.1 46.5 -57.5 -46.2 32.4 28.8 -32.4 26 27 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.4 -2,-0.2 0.820 112.3 51.8 -64.6 -34.3 30.9 32.3 -32.3 27 28 A E H X S+ 0 0 22 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.893 107.4 50.8 -69.3 -43.6 33.3 33.1 -29.4 28 29 A M H X>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 4,-1.6 0.832 111.3 50.5 -63.2 -34.4 36.4 31.9 -31.3 29 30 A T H <5S+ 0 0 22 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.941 106.4 52.7 -67.7 -51.1 35.3 34.0 -34.2 30 31 A I H <5S+ 0 0 83 -4,-2.2 -2,-0.2 -23,-0.2 -1,-0.2 0.779 107.1 55.3 -57.7 -26.7 34.9 37.1 -32.0 31 32 A L H <5S- 0 0 57 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.944 117.4-112.3 -72.3 -45.2 38.4 36.5 -30.8 32 33 A G T <5 + 0 0 65 -4,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.674 58.2 158.4 114.0 41.2 39.9 36.5 -34.2 33 34 A M < - 0 0 15 -5,-1.8 2,-2.2 1,-0.1 -1,-0.1 -0.637 54.9 -95.6 -96.4 155.6 41.0 32.9 -34.5 34 35 A P S S+ 0 0 41 0, 0.0 298,-1.6 0, 0.0 -5,-0.1 -0.434 71.2 141.1 -70.1 76.8 41.6 30.9 -37.8 35 36 A I - 0 0 17 -2,-2.2 2,-0.3 296,-0.2 298,-0.1 -0.966 58.8-108.7-127.3 139.9 38.2 29.3 -38.1 36 37 A P - 0 0 9 0, 0.0 206,-0.1 0, 0.0 204,-0.1 -0.460 44.7-120.4 -62.1 117.8 36.0 28.6 -41.1 37 38 A Q + 0 0 31 -2,-0.3 203,-2.5 202,-0.1 2,-0.3 -0.103 48.3 143.5 -59.6 162.3 33.0 31.0 -40.9 38 39 A G E - B 0 239A 0 201,-0.2 -31,-1.8 50,-0.0 2,-0.3 -0.932 37.2-113.0-174.3-168.5 29.5 29.6 -40.7 39 40 A F E -AB 6 238A 0 199,-2.3 199,-2.4 -2,-0.3 2,-0.4 -0.902 20.1-124.7-142.5 171.3 26.2 30.3 -39.1 40 41 A T E -AB 5 237A 1 -35,-3.0 -35,-2.8 -2,-0.3 2,-0.6 -0.967 6.1-140.3-130.2 132.6 24.0 28.7 -36.6 41 42 A V E -AB 4 236A 0 195,-3.2 195,-1.3 -2,-0.4 -37,-0.3 -0.806 41.4-115.2 -88.2 123.9 20.4 27.5 -36.5 42 43 A T - 0 0 0 -39,-3.0 4,-0.4 -2,-0.6 -24,-0.2 -0.088 6.5-125.3 -57.9 151.8 18.9 28.4 -33.1 43 44 A T S >> S+ 0 0 9 -26,-2.1 3,-1.5 1,-0.2 4,-1.2 0.879 115.0 62.5 -64.1 -33.9 17.7 25.9 -30.5 44 45 A E H 3> S+ 0 0 92 -27,-0.5 4,-3.0 1,-0.3 3,-0.3 0.867 94.8 56.7 -56.5 -43.8 14.5 27.9 -30.7 45 46 A A H 3> S+ 0 0 0 1,-0.3 4,-1.7 -42,-0.2 -1,-0.3 0.639 102.9 57.2 -63.8 -15.2 14.1 26.9 -34.4 46 47 A C H <> S+ 0 0 2 -3,-1.5 4,-1.7 -4,-0.4 -1,-0.3 0.817 107.4 47.6 -80.4 -37.7 14.2 23.4 -33.0 47 48 A T H X S+ 0 0 50 -4,-1.2 4,-4.8 -3,-0.3 -2,-0.2 0.952 110.6 50.6 -66.5 -51.9 11.3 24.3 -30.8 48 49 A E H < S+ 0 0 55 -4,-3.0 6,-0.2 1,-0.3 7,-0.2 0.969 111.4 47.3 -49.8 -62.3 9.4 25.8 -33.7 49 50 A Y H ><>S+ 0 0 5 -4,-1.7 5,-1.3 1,-0.2 6,-1.0 0.823 118.3 43.5 -48.1 -37.3 10.0 22.7 -35.9 50 51 A Y H ><5S+ 0 0 52 -4,-1.7 2,-1.1 1,-0.3 3,-0.9 0.919 111.6 50.6 -80.0 -42.1 8.8 20.6 -32.9 51 52 A N T 3<5S+ 0 0 124 -4,-4.8 -1,-0.3 1,-0.3 -2,-0.1 -0.281 106.2 62.5 -88.8 50.4 5.9 22.7 -31.9 52 53 A S T < 5S- 0 0 42 -2,-1.1 3,-0.3 -3,-0.6 -1,-0.3 -0.010 129.4 -84.3-159.5 30.5 4.8 22.6 -35.6 53 54 A G T < 5S- 0 0 62 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.748 81.8 -66.3 66.8 25.3 4.2 18.9 -36.0 54 55 A K S - 0 0 20 -2,-0.8 4,-2.0 -12,-0.2 -8,-0.1 -0.047 11.4-119.1 -53.9 158.8 8.8 26.0 -41.0 58 59 A Q H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.972 112.8 53.3 -64.2 -57.0 9.0 28.2 -44.2 59 60 A E H > S+ 0 0 90 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.770 110.4 53.7 -50.6 -28.5 10.5 31.3 -42.5 60 61 A I H >> S+ 0 0 0 2,-0.2 4,-1.4 3,-0.1 3,-0.6 0.992 106.4 45.8 -71.5 -64.9 13.1 28.9 -41.2 61 62 A Q H >X S+ 0 0 75 -4,-2.0 4,-3.2 1,-0.3 3,-2.5 0.922 111.2 52.6 -41.7 -64.7 14.3 27.3 -44.4 62 63 A D H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.847 109.2 51.0 -39.1 -47.2 14.6 30.6 -46.2 63 64 A Q H S+ 0 0 126 -5,-0.3 4,-2.0 2,-0.1 -1,-0.2 0.778 105.9 47.0-102.4 -40.3 19.9 32.9 -46.9 67 68 A A H X S+ 0 0 5 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.832 108.5 57.8 -68.3 -32.9 23.0 32.5 -44.7 68 69 A I H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.845 105.0 51.6 -63.4 -34.3 24.1 29.9 -47.2 69 70 A T H > S+ 0 0 57 -5,-0.2 4,-1.7 2,-0.2 5,-0.3 0.957 106.0 53.7 -64.0 -51.7 23.9 32.7 -49.7 70 71 A W H X S+ 0 0 43 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.880 106.8 52.7 -48.9 -45.7 26.0 34.9 -47.4 71 72 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.888 104.3 54.3 -61.8 -44.3 28.7 32.1 -47.3 72 73 A E H >X>S+ 0 0 26 -4,-1.7 3,-1.6 1,-0.3 5,-0.9 0.991 112.7 42.2 -53.5 -66.5 29.0 31.9 -51.1 73 74 A E H 3<5S+ 0 0 154 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.739 110.2 64.9 -52.5 -18.4 29.6 35.6 -51.5 74 75 A L H 3<5S+ 0 0 72 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.856 121.1 12.3 -75.8 -37.3 31.8 35.0 -48.4 75 76 A N H <<5S- 0 0 53 -4,-1.8 -2,-0.2 -3,-1.6 -1,-0.2 -0.039 105.4-108.1-130.4 33.4 34.4 32.7 -50.1 76 77 A G T <5S+ 0 0 63 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.2 0.796 84.5 101.6 44.9 45.0 33.5 33.1 -53.8 77 78 A K < - 0 0 59 -5,-0.9 2,-0.3 -6,-0.2 -2,-0.3 -0.986 66.5-122.5-148.8 150.0 32.0 29.7 -54.3 78 79 A K E > -e 85 0B 120 6,-0.8 8,-2.1 -2,-0.3 3,-1.7 -0.722 43.4 -84.8 -99.5 151.1 28.4 28.5 -54.5 79 80 A F E 3 S-e 86 0B 16 -2,-0.3 8,-0.2 1,-0.3 121,-0.1 -0.297 105.2 -23.9 -52.8 111.6 26.9 25.9 -52.3 80 81 A G T 3 S- 0 0 7 6,-2.8 -1,-0.3 -2,-0.2 34,-0.2 0.859 92.4-178.7 50.0 42.6 27.7 22.5 -53.9 81 82 A D < - 0 0 58 -3,-1.7 36,-0.1 3,-0.4 37,-0.1 0.171 36.1-113.0 -57.9-174.6 28.1 24.1 -57.3 82 83 A T S S+ 0 0 74 2,-0.1 35,-0.4 35,-0.1 36,-0.1 0.770 106.5 17.9 -96.0 -31.0 28.9 21.9 -60.4 83 84 A E S S+ 0 0 86 1,-0.2 38,-0.3 34,-0.1 37,-0.1 0.837 139.8 21.6-103.6 -65.6 32.4 23.3 -61.1 84 85 A D S S- 0 0 50 37,-0.1 -6,-0.8 36,-0.1 -3,-0.4 -0.728 85.7-167.0-107.2 80.7 33.7 25.0 -58.0 85 86 A P E -e 78 0B 5 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.448 15.5-142.8 -72.7 139.1 31.5 23.4 -55.3 86 87 A L E -e 79 0B 10 -8,-2.1 -6,-2.8 -2,-0.2 2,-0.3 -0.911 22.4-164.8 -99.7 118.0 31.3 24.9 -51.8 87 88 A L - 0 0 5 -2,-0.6 154,-0.6 -8,-0.2 2,-0.3 -0.735 6.6-172.8-103.5 154.1 31.0 22.1 -49.3 88 89 A V E -CD 108 240A 0 20,-2.8 20,-2.4 -2,-0.3 2,-0.3 -0.891 18.3-125.7-139.8 168.8 30.0 22.5 -45.7 89 90 A S E - D 0 239A 8 150,-2.1 150,-1.7 -2,-0.3 2,-0.4 -0.904 15.3-152.7-118.7 146.6 29.7 20.4 -42.5 90 91 A V E +CD 105 238A 1 15,-2.4 15,-5.3 -2,-0.3 2,-0.3 -0.959 21.3 162.4-119.9 138.9 26.6 20.0 -40.4 91 92 A R E -CD 104 237A 13 146,-1.3 146,-1.9 -2,-0.4 13,-0.2 -0.855 28.9-130.0-162.0 123.7 26.8 19.3 -36.6 92 93 A S E - D 0 236A 2 11,-1.3 2,-0.3 -2,-0.3 144,-0.2 -0.301 20.1-173.7 -71.4 153.3 24.3 19.6 -33.8 93 94 A G E - D 0 235A 1 142,-3.1 142,-1.0 9,-0.1 -71,-0.1 -0.824 4.8-165.5-155.2 109.7 24.9 21.4 -30.5 94 95 A A E - D 0 234A 2 2,-0.3 -74,-2.2 -2,-0.3 -73,-0.3 -0.413 42.4-103.5 -87.7 167.6 22.6 21.5 -27.4 95 96 A R S S+ 0 0 81 138,-0.7 2,-0.5 -76,-0.3 -1,-0.1 0.657 114.3 60.8 -65.1 -11.5 23.0 24.0 -24.5 96 97 A A S S- 0 0 18 -80,-0.1 -2,-0.3 2,-0.0 -1,-0.2 -0.942 95.5-121.2-120.5 112.8 24.5 21.0 -22.7 97 98 A S - 0 0 37 -2,-0.5 -2,-0.1 1,-0.1 -4,-0.1 -0.223 26.2-174.5 -52.3 129.9 27.5 19.3 -24.1 98 99 A M >> - 0 0 6 -4,-0.1 3,-2.9 0, 0.0 4,-0.9 -0.357 13.3-161.2-124.6 53.1 26.7 15.7 -24.9 99 100 A P T 34 S+ 0 0 14 0, 0.0 362,-0.1 0, 0.0 -2,-0.0 -0.052 76.7 17.7 -40.2 113.9 30.1 14.4 -25.9 100 101 A G T 34 S+ 0 0 27 357,-0.1 354,-0.1 358,-0.0 358,-0.1 0.169 120.3 67.3 105.7 -14.9 29.8 11.2 -27.9 101 102 A M T <4 S+ 0 0 15 -3,-2.9 118,-0.1 330,-0.1 -4,-0.0 0.883 74.3 83.1-102.2 -55.2 26.1 11.7 -28.6 102 103 A M S < S- 0 0 32 -4,-0.9 2,-0.3 1,-0.1 -9,-0.1 0.283 74.3-108.9 -43.2 176.7 25.6 14.7 -30.9 103 104 A D - 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p 0 424F 0 86,-2.4 2,-0.4 17,-0.2 19,-0.2 -0.693 27.9-178.3 -94.2 142.7 31.8 -9.9 -20.2 407 408 A Y E - p 0 425F 23 17,-1.9 19,-1.8 -2,-0.3 6,-0.1 -0.992 21.3-152.4-140.4 127.0 29.0 -9.2 -22.7 408 409 A F S S+ 0 0 2 -2,-0.4 2,-0.3 17,-0.2 20,-0.2 0.369 81.7 45.3 -83.0 4.2 29.6 -8.5 -26.4 409 410 A T S > S- 0 0 30 1,-0.1 4,-1.8 18,-0.1 3,-0.2 -0.997 71.7-135.3-147.8 145.3 26.4 -6.3 -26.7 410 411 A A H > S+ 0 0 9 -2,-0.3 4,-1.7 1,-0.2 5,-0.3 0.835 103.2 63.5 -69.0 -31.7 24.9 -3.5 -24.6 411 412 A D H > S+ 0 0 147 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.908 113.9 31.8 -58.6 -43.4 21.4 -5.1 -24.9 412 413 A E H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.748 112.2 61.4 -87.6 -27.2 22.4 -8.2 -23.0 413 414 A A H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 109.8 42.9 -68.5 -32.6 25.0 -6.7 -20.7 414 415 A K H < S+ 0 0 71 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.783 103.5 68.0 -80.2 -28.0 22.3 -4.5 -19.2 415 416 A A H < S+ 0 0 76 -4,-0.6 2,-1.9 1,-0.3 -2,-0.2 0.906 90.9 64.4 -55.1 -42.2 20.0 -7.5 -19.2 416 417 A A S < S- 0 0 13 -4,-1.5 5,-0.4 1,-0.2 -1,-0.3 -0.421 126.0 -78.8 -83.3 63.3 22.3 -9.0 -16.5 417 418 A H - 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