==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-12 4I70 . COMPND 2 MOLECULE: INOSINE-ADENOSINE-GUANOSINE-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR F.GIANNESE,M.DEGANO . 316 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 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 . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 2 0 0 2 0 1 4 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 243 0, 0.0 26,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 151.0 19.1 0.3 30.6 2 2 A A - 0 0 32 24,-0.2 2,-0.3 27,-0.1 27,-0.3 -0.186 360.0-119.6 -69.1 147.8 16.9 -1.4 28.1 3 3 A K E -a 29 0A 66 25,-2.6 27,-3.3 255,-0.1 2,-0.5 -0.653 30.3-118.2 -77.3 143.7 14.0 -3.7 28.9 4 4 A T E -ab 30 132A 21 127,-0.5 129,-3.1 -2,-0.3 2,-0.4 -0.792 44.1-178.5 -88.1 123.3 14.4 -7.2 27.4 5 5 A V E -ab 31 133A 0 25,-2.6 27,-2.4 -2,-0.5 28,-0.7 -0.967 26.3-166.0-130.7 144.9 11.5 -7.8 25.0 6 6 A I E -ab 33 134A 0 127,-2.0 129,-3.1 -2,-0.4 2,-0.6 -0.983 17.5-145.5-122.5 135.4 10.1 -10.5 22.7 7 7 A L E -ab 34 135A 0 26,-1.8 28,-2.8 -2,-0.4 2,-0.7 -0.931 11.2-170.7-103.3 119.3 7.5 -9.6 20.1 8 8 A D E +ab 35 136A 0 127,-3.1 129,-2.5 -2,-0.6 130,-1.1 -0.937 30.1 155.4-111.5 100.0 5.0 -12.4 19.5 9 9 A H E -a 36 0A 0 26,-2.8 28,-2.1 -2,-0.7 129,-0.1 -0.692 50.2-136.2-128.3 172.5 3.0 -11.2 16.5 10 10 A D - 0 0 1 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.022 51.5-109.1-130.7 27.3 0.9 -12.4 13.5 11 11 A G + 0 0 0 1,-0.2 76,-0.3 35,-0.1 31,-0.2 0.665 66.7 132.6 72.6 24.5 2.3 -10.3 10.7 12 12 A N S > S- 0 0 14 74,-0.1 4,-1.7 29,-0.1 3,-0.3 -0.493 73.1 -88.1 -98.5 179.5 -0.2 -7.7 9.7 13 13 A K H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.883 126.6 48.6 -55.5 -44.7 0.5 -4.0 9.2 14 14 A D H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 105.1 59.4 -70.6 -29.6 -0.1 -3.0 12.8 15 15 A D H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.910 107.3 47.1 -60.3 -41.4 2.1 -5.8 14.0 16 16 A F H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.847 106.7 55.0 -75.2 -29.7 5.0 -4.3 12.1 17 17 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.951 110.3 49.3 -62.2 -43.3 4.3 -0.8 13.3 18 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.931 110.8 49.3 -56.6 -47.6 4.7 -2.4 16.8 19 19 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.900 110.1 50.8 -59.6 -44.2 7.9 -4.1 15.8 20 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.920 108.0 52.4 -62.2 -42.2 9.3 -0.8 14.4 21 21 A L H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.926 115.3 41.9 -59.3 -43.5 8.5 1.1 17.6 22 22 A L H >< S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.2 7,-0.2 0.963 117.7 43.3 -67.2 -50.7 10.3 -1.5 19.6 23 23 A L H 3< S+ 0 0 7 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.809 107.6 59.4 -71.4 -31.0 13.3 -2.0 17.4 24 24 A S T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.480 100.3 61.0 -73.5 -3.4 13.9 1.7 16.7 25 25 A N X> + 0 0 32 -3,-1.3 4,-2.5 -4,-0.2 3,-1.5 -0.467 54.0 157.0-127.3 62.8 14.3 2.5 20.4 26 26 A P T 34 S+ 0 0 64 0, 0.0 -24,-0.2 0, 0.0 -1,-0.1 0.731 71.4 65.8 -62.1 -24.3 17.4 0.5 21.6 27 27 A K T 34 S+ 0 0 193 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.847 119.0 24.8 -63.7 -29.4 18.0 2.8 24.6 28 28 A K T <4 S+ 0 0 70 -3,-1.5 -25,-2.6 1,-0.2 2,-0.4 0.736 126.9 40.7-104.1 -27.3 14.6 1.6 26.0 29 29 A V E < -a 3 0A 4 -4,-2.5 2,-0.7 -27,-0.3 -1,-0.2 -0.987 50.0-164.6-135.1 127.1 14.2 -1.9 24.4 30 30 A N E -a 4 0A 70 -27,-3.3 -25,-2.6 -2,-0.4 2,-0.9 -0.938 22.1-154.2-103.9 102.8 16.5 -4.8 23.7 31 31 A L E +a 5 0A 10 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.739 18.0 176.7 -85.0 104.8 14.5 -6.9 21.2 32 32 A I E - 0 0 34 -27,-2.4 2,-0.3 -2,-0.9 -26,-0.2 0.495 58.1 -18.8 -91.9 -6.2 15.8 -10.4 21.8 33 33 A G E -a 6 0A 0 -28,-0.7 -26,-1.8 33,-0.2 2,-0.4 -0.907 51.4-135.1 175.8 164.0 13.5 -12.3 19.4 34 34 A C E -ac 7 68A 0 33,-1.6 35,-2.4 -2,-0.3 2,-0.4 -0.993 9.3-158.3-134.7 142.5 10.3 -12.3 17.4 35 35 A I E -ac 8 69A 0 -28,-2.8 -26,-2.8 -2,-0.4 2,-0.4 -0.929 8.8-158.8-116.5 139.4 7.7 -15.0 17.0 36 36 A C E -ac 9 70A 0 33,-2.6 35,-3.0 -2,-0.4 2,-0.3 -0.991 4.5-160.3-124.9 127.5 5.3 -15.0 14.0 37 37 A T - 0 0 1 -28,-2.1 2,-2.1 -2,-0.4 3,-0.1 -0.851 27.5-121.5-109.3 144.0 2.0 -16.9 14.0 38 38 A D S S+ 0 0 60 35,-0.4 37,-0.2 -2,-0.3 -28,-0.1 -0.288 83.6 101.1 -78.4 51.9 -0.1 -18.0 10.9 39 39 A A S S+ 0 0 0 -2,-2.1 40,-0.3 -30,-0.1 2,-0.3 0.758 90.5 9.8-104.0 -91.6 -3.1 -15.9 12.1 40 40 A D S S+ 0 0 25 -3,-0.1 2,-0.3 38,-0.1 46,-0.2 -0.049 133.6 36.2 -86.6 36.8 -3.7 -12.5 10.4 41 41 A C S S- 0 0 0 -2,-0.3 2,-0.6 45,-0.1 44,-0.2 -0.943 93.3 -95.6-159.9 171.3 -1.0 -13.3 7.8 42 42 A F >> - 0 0 52 42,-0.8 4,-1.9 -2,-0.3 3,-1.1 -0.943 46.0-132.6 -91.5 120.8 0.4 -16.2 5.8 43 43 A V H 3> S+ 0 0 29 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.779 100.0 58.3 -56.2 -34.9 3.3 -17.1 8.1 44 44 A E H 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.913 110.5 44.3 -63.2 -37.4 6.0 -17.3 5.4 45 45 A N H <> S+ 0 0 23 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.894 113.3 49.4 -70.9 -43.6 5.3 -13.7 4.5 46 46 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.887 111.9 50.6 -60.6 -38.2 5.1 -12.5 8.1 47 47 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.4 47.9 -62.7 -50.3 8.4 -14.2 8.7 48 48 A D H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 111.5 49.7 -62.2 -42.8 10.1 -12.7 5.7 49 49 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.936 110.5 51.2 -63.3 -40.2 8.9 -9.1 6.6 50 50 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 111.0 49.4 -58.1 -46.8 10.1 -9.6 10.2 51 51 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 111.3 47.3 -60.7 -45.1 13.5 -10.7 8.9 52 52 A K H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.894 111.1 50.3 -70.3 -36.2 13.9 -7.7 6.5 53 53 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.940 111.4 50.3 -62.7 -46.6 12.9 -5.1 9.1 54 54 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.6 46.6 -53.2 -45.0 15.5 -6.7 11.5 55 55 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 109.8 53.1 -69.0 -41.7 18.1 -6.6 8.7 56 56 A A H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.923 112.2 44.3 -60.7 -42.9 17.3 -2.9 7.8 57 57 A M H X>S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 6,-0.9 0.898 110.0 55.1 -71.1 -38.2 17.7 -1.8 11.4 58 58 A H H X5S+ 0 0 69 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.936 114.0 43.1 -56.6 -46.3 20.9 -3.8 11.9 59 59 A R H <5S+ 0 0 74 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.919 122.5 35.0 -62.6 -48.2 22.3 -2.0 8.9 60 60 A L H <5S+ 0 0 68 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.898 136.8 12.5 -84.2 -41.4 21.1 1.5 9.7 61 61 A I H <5S- 0 0 46 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.324 95.9-116.6-122.4 6.8 21.3 1.8 13.5 62 62 A K << + 0 0 183 -4,-1.0 -4,-0.2 -5,-0.8 -3,-0.1 0.718 51.0 163.1 66.8 26.1 23.4 -1.3 14.5 63 63 A T - 0 0 7 -6,-0.9 -1,-0.2 1,-0.1 -2,-0.1 -0.506 46.1-100.0 -66.1 140.8 20.7 -3.0 16.5 64 64 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.245 30.1-110.7 -63.7 154.4 21.7 -6.7 16.9 65 65 A L - 0 0 63 -3,-0.1 -10,-0.0 -7,-0.1 -11,-0.0 -0.457 41.1-172.3 -71.3 157.0 20.3 -9.5 14.9 66 66 A F - 0 0 15 -2,-0.1 -33,-0.2 -32,-0.0 2,-0.1 -0.962 28.5 -82.9-149.4 162.5 18.0 -11.9 16.8 67 67 A P - 0 0 37 0, 0.0 -33,-1.6 0, 0.0 2,-0.4 -0.438 35.8-162.4 -72.7 148.8 16.3 -15.2 16.3 68 68 A I E -c 34 0A 0 -35,-0.2 2,-0.4 -2,-0.1 47,-0.3 -0.997 8.2-167.8-131.6 127.6 12.9 -15.3 14.5 69 69 A G E -c 35 0A 0 -35,-2.4 -33,-2.6 -2,-0.4 2,-0.6 -0.975 19.2-137.8-126.1 132.9 10.6 -18.3 14.8 70 70 A K E -cd 36 116A 49 45,-0.5 47,-2.6 -2,-0.4 48,-0.2 -0.725 27.9-135.0 -79.2 119.3 7.5 -19.4 13.0 71 71 A S - 0 0 7 -35,-3.0 -33,-0.3 -2,-0.6 -28,-0.1 -0.512 4.9-150.3 -68.5 146.2 4.9 -20.7 15.4 72 72 A T + 0 0 92 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.259 51.3 135.0 -97.1 10.9 3.2 -24.0 14.4 73 73 A A - 0 0 18 1,-0.1 -35,-0.4 0, 0.0 2,-0.3 -0.289 45.6-145.0 -55.5 141.8 0.0 -22.9 16.3 74 74 A T - 0 0 116 -37,-0.1 3,-0.1 67,-0.0 -35,-0.1 -0.867 20.0-100.3-114.4 147.4 -3.2 -23.6 14.3 75 75 A A - 0 0 41 -2,-0.3 3,-0.2 -37,-0.2 115,-0.2 -0.308 16.9-166.3 -63.8 139.9 -6.3 -21.5 14.3 76 76 A V S S+ 0 0 61 113,-2.8 2,-0.4 1,-0.3 114,-0.2 0.834 99.1 10.1 -78.4 -49.1 -9.4 -22.4 16.3 77 77 A N S S- 0 0 26 112,-1.5 -1,-0.3 111,-0.2 0, 0.0 -0.937 93.2-137.3-131.3 107.9 -11.2 -19.8 14.2 78 78 A A - 0 0 61 -2,-0.4 3,-0.1 -3,-0.2 -39,-0.1 -0.251 17.2-109.3 -70.5 154.2 -9.2 -18.5 11.2 79 79 A F - 0 0 8 -40,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.338 51.5 -82.2 -69.0 156.0 -8.9 -14.9 10.1 80 80 A P >> - 0 0 25 0, 0.0 3,-1.0 0, 0.0 4,-0.8 -0.430 39.7-129.4 -58.7 131.6 -10.7 -14.0 6.8 81 81 A T G >4 S+ 0 0 72 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.862 104.2 61.5 -53.4 -42.0 -8.3 -15.0 4.0 82 82 A E G >4 S+ 0 0 139 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.867 102.8 50.9 -55.6 -35.7 -8.6 -11.6 2.3 83 83 A W G X4 S+ 0 0 117 -3,-1.0 3,-1.1 1,-0.2 -1,-0.2 0.755 96.0 71.9 -74.1 -22.0 -7.1 -9.8 5.3 84 84 A R G << S+ 0 0 32 -3,-1.0 -42,-0.8 -4,-0.8 3,-0.4 0.501 77.7 77.2 -77.5 -5.7 -4.1 -12.2 5.5 85 85 A F G <> + 0 0 94 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.2 0.490 62.9 97.5 -82.6 -4.1 -2.4 -10.8 2.4 86 86 A S H <> S+ 0 0 21 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.914 84.9 46.6 -55.2 -45.6 -1.0 -7.7 4.1 87 87 A A H > S+ 0 0 0 -3,-0.4 4,-2.3 -76,-0.3 -1,-0.2 0.865 108.6 56.5 -66.8 -34.1 2.5 -9.2 4.7 88 88 A K H 4 S+ 0 0 87 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.928 111.0 44.0 -59.7 -44.7 2.6 -10.5 1.2 89 89 A N H >< S+ 0 0 79 -4,-2.3 3,-1.3 1,-0.2 4,-0.4 0.916 111.9 52.2 -66.0 -44.3 2.1 -7.0 -0.1 90 90 A L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 6,-0.2 0.882 101.3 61.7 -59.7 -37.6 4.6 -5.5 2.4 91 91 A D T 3< S+ 0 0 26 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.675 104.8 49.4 -63.7 -19.2 7.2 -8.0 1.2 92 92 A D T < S+ 0 0 103 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.430 85.4 115.0 -95.7 -4.7 7.0 -6.5 -2.3 93 93 A M S X S- 0 0 43 -3,-1.7 3,-1.7 -4,-0.4 4,-0.1 -0.392 73.6-124.2 -70.5 147.5 7.4 -2.9 -1.1 94 94 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.875 110.1 58.2 -61.6 -36.3 10.5 -1.0 -2.2 95 95 A F G 3 S+ 0 0 6 1,-0.3 3,-0.2 2,-0.2 142,-0.1 0.611 107.1 48.7 -67.4 -13.6 11.4 -0.1 1.4 96 96 A L G < S+ 0 0 2 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.1 0.159 106.3 59.9-108.0 15.1 11.5 -3.8 2.2 97 97 A N < + 0 0 65 -3,-1.8 -2,-0.2 -4,-0.1 2,-0.1 0.023 60.9 146.8-131.7 27.9 13.7 -4.6 -0.8 98 98 A I >> - 0 0 59 -3,-0.2 4,-2.2 1,-0.1 3,-0.8 -0.484 56.9-122.6 -63.8 133.3 16.8 -2.6 -0.2 99 99 A V H 3> S+ 0 0 122 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.862 107.3 51.5 -58.1 -39.6 19.5 -4.8 -1.8 100 100 A E H 3> S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.862 111.9 47.2 -65.2 -36.3 21.7 -5.1 1.4 101 101 A D H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.877 111.5 49.5 -73.5 -40.4 18.7 -6.2 3.5 102 102 A V H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 112.9 49.2 -60.6 -46.4 17.5 -8.7 0.9 103 103 A A H X S+ 0 0 44 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.914 112.9 45.6 -60.7 -45.1 21.1 -10.1 0.7 104 104 A L H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.945 111.0 52.4 -69.1 -42.4 21.5 -10.4 4.5 105 105 A W H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.900 103.5 58.2 -63.4 -36.5 18.1 -12.0 5.0 106 106 A E H < S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 110.0 45.5 -54.1 -38.7 18.9 -14.6 2.4 107 107 A K H < S+ 0 0 164 -4,-1.3 4,-0.3 -3,-0.5 -2,-0.2 0.859 117.6 42.0 -73.8 -36.5 21.9 -15.6 4.5 108 108 A L H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.649 94.7 81.1 -85.3 -17.2 20.0 -15.6 7.8 109 109 A K H X S+ 0 0 41 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.896 83.3 57.2 -63.6 -43.5 16.8 -17.3 6.7 110 110 A P H > S+ 0 0 78 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.914 109.0 45.7 -57.5 -42.6 17.9 -21.0 6.8 111 111 A E H 4 S+ 0 0 121 -4,-0.3 3,-0.4 1,-0.2 4,-0.4 0.901 116.9 45.5 -66.6 -39.4 18.9 -20.9 10.5 112 112 A N H >< S+ 0 0 4 -4,-1.6 3,-1.3 1,-0.2 -42,-0.4 0.845 102.5 63.3 -74.0 -32.3 15.7 -19.1 11.4 113 113 A E H 3< S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.766 97.7 61.5 -57.1 -27.4 13.4 -21.3 9.4 114 114 A A T 3< S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.684 83.8 98.2 -74.2 -23.6 14.6 -24.1 11.6 115 115 A H < - 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