==== 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 HYDROLASE 21-FEB-03 1O0E . COMPND 2 MOLECULE: ERVATAMIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: TABERNAEMONTANA DIVARICATA; . AUTHOR P.G.THAKURTA,C.CHAKRABARTI,S.BISWAS,J.K.DATTAGUPTA . 416 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 17.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 2 0.5 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 2 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 10 2 0 3 5 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 2 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 L 0 0 132 0, 0.0 120,-0.1 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 145.2 0.8 53.5 19.4 2 2 A P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 122,-0.0 -0.280 360.0-131.9 -60.7 149.5 3.9 54.1 21.6 3 3 A E S S+ 0 0 157 1,-0.2 2,-0.3 163,-0.0 0, 0.0 0.771 92.2 9.2 -72.4 -25.9 6.9 55.6 19.7 4 4 A Q + 0 0 103 161,-0.1 2,-0.3 162,-0.1 -1,-0.2 -0.992 65.5 177.0-152.3 151.9 9.0 52.9 21.3 5 5 A I E -A 164 0A 21 159,-1.9 159,-2.4 -2,-0.3 2,-0.4 -0.976 9.7-169.4-156.5 145.0 8.5 49.8 23.3 6 6 A D E > -A 163 0A 16 -2,-0.3 3,-1.1 157,-0.2 4,-0.3 -0.904 8.0-163.3-140.7 105.8 10.8 47.1 24.7 7 7 A W G > >S+ 0 0 21 155,-2.8 5,-1.9 -2,-0.4 3,-0.9 0.707 89.3 67.3 -64.3 -19.1 9.1 44.0 26.2 8 8 A R G > 5S+ 0 0 68 154,-0.3 3,-1.0 1,-0.2 -1,-0.3 0.871 99.4 51.6 -66.8 -34.8 12.3 43.1 28.0 9 9 A K G < 5S+ 0 0 126 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.496 105.1 56.8 -79.5 -4.1 11.7 46.2 30.1 10 10 A K G < 5S- 0 0 102 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.290 115.2-110.9-108.7 7.1 8.2 45.1 30.9 11 11 A G T < 5S+ 0 0 5 -3,-1.0 -3,-0.2 -4,-0.1 208,-0.1 0.640 86.5 115.2 74.9 17.9 9.1 41.7 32.3 12 12 A A < + 0 0 0 -5,-1.9 2,-0.4 206,-0.1 27,-0.2 0.400 57.9 75.3 -98.9 2.6 7.7 39.7 29.5 13 13 A V - 0 0 7 -6,-0.4 3,-0.1 -5,-0.2 -2,-0.1 -0.960 67.0-142.1-125.1 129.7 10.9 38.1 28.1 14 14 A T - 0 0 2 -2,-0.4 3,-0.1 1,-0.2 240,-0.1 -0.298 44.8 -73.0 -78.1 164.4 13.1 35.3 29.6 15 15 A P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 240,-0.1 -0.198 65.8 -82.6 -57.1 151.5 16.9 35.3 29.4 16 16 A V - 0 0 26 238,-0.4 2,-0.2 166,-0.2 161,-0.2 -0.231 49.5-153.8 -56.4 139.9 18.5 34.7 26.0 17 17 A K - 0 0 29 156,-0.4 159,-2.1 159,-0.1 2,-0.4 -0.629 7.5-132.5-113.1 172.4 18.8 31.0 25.0 18 18 A N B -I 175 0B 89 157,-0.2 157,-0.2 -2,-0.2 156,-0.0 -0.964 7.9-166.5-133.1 117.1 21.1 29.0 22.7 19 19 A Q - 0 0 14 155,-2.9 3,-0.4 -2,-0.4 5,-0.1 0.653 32.2-164.0 -74.6 -15.1 19.9 26.5 20.1 20 20 A G - 0 0 40 154,-0.3 2,-0.7 1,-0.2 -1,-0.2 -0.300 56.8 -20.0 67.3-150.7 23.4 25.2 19.7 21 21 A S S S+ 0 0 135 2,-0.1 2,-0.4 70,-0.0 -1,-0.2 -0.204 113.6 98.6 -87.5 44.0 24.3 23.0 16.6 22 22 A a S S- 0 0 4 -2,-0.7 2,-2.4 -3,-0.4 42,-0.1 -0.998 75.6-130.6-134.8 128.8 20.6 22.2 16.0 23 23 A G B +j 64 0C 31 40,-1.5 42,-0.6 -2,-0.4 3,-0.3 -0.331 66.4 123.1 -76.8 65.1 18.4 23.8 13.5 24 24 A S >> + 0 0 0 -2,-2.4 4,-2.1 1,-0.2 3,-1.7 0.039 21.0 120.2-113.4 25.5 15.5 24.4 16.0 25 25 A C H 3> S+ 0 0 19 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.795 71.2 65.0 -60.9 -25.1 15.1 28.2 15.7 26 26 A W H 3> S+ 0 0 7 -3,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.807 107.9 42.1 -64.5 -28.6 11.6 27.6 14.5 27 27 A A H <> S+ 0 0 0 -3,-1.7 4,-2.7 2,-0.2 5,-0.3 0.885 113.7 48.8 -84.7 -44.4 11.0 26.2 18.0 28 28 A F H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.915 114.3 45.6 -63.2 -43.1 13.0 28.8 20.0 29 29 A S H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.943 115.7 45.8 -66.2 -47.7 11.3 31.7 18.3 30 30 A T H X S+ 0 0 0 -4,-1.0 4,-1.2 -5,-0.3 -2,-0.2 0.938 113.8 48.1 -60.6 -49.3 7.8 30.2 18.6 31 31 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.882 105.3 60.2 -60.9 -38.1 8.2 29.3 22.2 32 32 A S H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.924 104.0 49.4 -57.1 -45.3 9.6 32.7 23.1 33 33 A T H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.808 110.4 51.3 -65.3 -28.6 6.3 34.4 21.9 34 34 A V H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.880 107.6 51.5 -74.9 -38.2 4.3 31.9 24.0 35 35 A E H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 11,-0.3 0.933 114.0 46.6 -60.8 -44.7 6.4 32.6 27.1 36 36 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.910 110.0 48.4 -66.3 -47.1 5.7 36.3 26.5 37 37 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.863 110.2 54.8 -64.9 -31.9 2.0 36.2 25.9 38 38 A N H X>S+ 0 0 11 -4,-1.8 4,-2.7 2,-0.2 6,-0.6 0.913 109.9 45.3 -66.2 -41.2 1.5 34.1 29.0 39 39 A Q H X5S+ 0 0 20 -4,-1.6 4,-2.0 -27,-0.2 -2,-0.2 0.898 112.4 51.9 -68.6 -39.1 3.3 36.7 31.1 40 40 A I H <5S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.0 36.0 -64.2 -37.3 1.3 39.5 29.5 41 41 A R H <5S+ 0 0 115 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.816 134.7 20.2 -86.7 -34.5 -2.0 37.8 30.2 42 42 A T H <5S- 0 0 63 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.602 93.4-123.0-112.0 -17.2 -1.3 36.2 33.6 43 43 A G S < + 0 0 0 33,-2.6 4,-0.6 1,-0.2 33,-0.1 -0.669 31.0 171.5 -87.9 116.5 10.4 23.8 26.5 50 50 A E H >> S+ 0 0 2 -2,-0.6 4,-2.1 2,-0.2 3,-0.6 0.839 83.4 64.0 -81.5 -36.9 11.8 24.0 23.0 51 51 A Q H 3> S+ 0 0 0 36,-0.4 4,-2.4 1,-0.3 5,-0.3 0.832 93.6 61.6 -56.0 -35.0 13.0 20.4 23.3 52 52 A E H 3> S+ 0 0 2 35,-0.3 4,-3.1 1,-0.2 5,-0.4 0.933 107.5 43.6 -57.8 -46.5 9.4 19.2 23.6 53 53 A L H < + 0 0 9 -4,-2.3 3,-2.0 -5,-0.4 5,-0.4 -0.512 52.8 178.5 -78.3 77.7 6.0 18.3 16.8 58 58 A K T 3 + 0 0 93 -2,-2.3 -1,-0.2 1,-0.3 12,-0.0 0.703 70.0 66.1 -53.1 -31.0 6.1 15.6 14.1 59 59 A K T 3 S+ 0 0 55 11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.754 102.1 59.4 -66.0 -23.2 4.9 18.0 11.3 60 60 A N S < S- 0 0 9 -3,-2.0 6,-0.2 -7,-0.2 2,-0.1 -0.468 90.8-118.0 -98.3 176.2 8.2 19.8 11.7 61 61 A H > - 0 0 118 4,-2.5 3,-3.4 1,-0.3 4,-0.2 -0.249 29.3-133.7-116.3 50.3 11.7 18.3 11.3 62 62 A G T > S- 0 0 1 -5,-0.4 3,-1.1 1,-0.3 -1,-0.3 -0.123 88.3 -2.3 43.8-122.6 13.5 18.6 14.7 63 63 A a T 3 S+ 0 0 30 1,-0.2 -40,-1.5 -9,-0.1 -1,-0.3 0.451 128.8 70.0 -77.4 0.5 17.0 19.9 14.1 64 64 A L B < S-j 23 0C 153 -3,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.391 111.7 -89.2 -98.5 2.7 16.4 20.0 10.3 65 65 A G < - 0 0 21 -3,-1.1 -4,-2.5 -42,-0.6 -1,-0.3 -0.534 42.4-163.7 119.1 174.2 13.9 22.9 10.4 66 66 A G - 0 0 38 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.978 22.4 -96.4 179.7 177.6 10.2 23.6 10.7 67 67 A A > - 0 0 44 -2,-0.3 4,-1.5 1,-0.1 3,-0.1 -0.916 21.7-129.7-120.4 146.4 7.4 26.1 10.3 68 68 A F H >> S+ 0 0 17 -2,-0.4 4,-2.5 1,-0.2 3,-0.5 0.933 106.1 55.1 -53.4 -54.9 5.8 28.6 12.7 69 69 A V H 3> S+ 0 0 38 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.879 108.5 47.5 -49.0 -47.0 2.2 27.5 11.9 70 70 A F H 3> S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.824 111.2 52.4 -67.8 -30.3 2.9 23.9 12.6 71 71 A A H S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.2 4,-0.6 0.901 114.3 44.7 -54.7 -44.3 1.0 23.5 21.1 76 76 A I H ><5S+ 0 0 44 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.956 116.3 43.8 -66.8 -52.5 -2.7 24.1 20.7 77 77 A N H 3<5S+ 0 0 121 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 111.2 54.7 -62.2 -38.7 -3.7 20.6 19.7 78 78 A N H 3<5S- 0 0 53 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.647 112.0-120.9 -71.0 -13.3 -1.5 19.0 22.4 79 79 A G T <<5S- 0 0 37 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.555 72.0 -24.0 85.7 7.4 -3.3 21.1 25.0 80 80 A G < - 0 0 1 -5,-1.5 2,-0.3 -6,-0.3 24,-0.2 -0.778 64.8 -95.3 143.0 173.1 -0.1 22.9 26.2 81 81 A I B -L 103 0E 0 22,-2.4 22,-1.9 -2,-0.2 21,-0.9 -0.922 29.8-126.0-127.2 151.3 3.6 22.9 26.6 82 82 A D - 0 0 8 -2,-0.3 -33,-2.6 19,-0.2 2,-0.1 -0.336 34.2 -90.6 -89.3 174.1 5.9 21.9 29.5 83 83 A T B > -K 48 0D 3 -35,-0.3 4,-1.9 1,-0.1 -35,-0.3 -0.424 26.6-116.0 -85.9 161.0 8.7 24.0 31.2 84 84 A Q T 4 S+ 0 0 40 -37,-2.2 -36,-0.1 1,-0.2 -1,-0.1 0.889 116.3 55.1 -59.5 -40.2 12.3 24.2 30.3 85 85 A A T 4 S+ 0 0 85 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.891 111.2 41.7 -62.0 -43.5 13.1 22.6 33.7 86 86 A N T 4 S+ 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.747 129.5 27.5 -77.5 -25.2 10.9 19.6 33.2 87 87 A Y S < S- 0 0 6 -4,-1.9 -36,-0.4 12,-0.0 -35,-0.3 -0.609 88.3-162.2-139.7 74.0 11.9 18.9 29.6 88 88 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.111 23.5-101.4 -59.5 151.5 15.5 20.4 29.1 89 89 A Y + 0 0 42 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.570 35.3 173.0 -79.0 134.9 17.1 21.2 25.8 90 90 A K - 0 0 138 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.486 41.6-127.0-116.9 -12.4 19.6 18.7 24.4 91 91 A A S S+ 0 0 36 1,-0.2 2,-0.3 -71,-0.1 -68,-0.1 0.722 85.6 82.3 68.5 21.6 20.3 20.2 20.9 92 92 A V S S- 0 0 89 -70,-0.1 -2,-0.2 -30,-0.0 2,-0.2 -0.971 86.3-109.4-153.7 138.8 19.4 16.8 19.4 93 93 A Q + 0 0 108 -2,-0.3 -38,-0.1 -3,-0.1 3,-0.0 -0.504 45.6 167.1 -73.3 138.3 16.1 15.2 18.6 94 94 A G - 0 0 28 -43,-0.2 3,-0.1 -2,-0.2 -32,-0.0 -0.839 43.8 -49.5-140.8 177.5 15.1 12.3 20.8 95 95 A P - 0 0 122 0, 0.0 2,-0.4 0, 0.0 -39,-0.1 -0.218 65.0-106.4 -52.2 136.1 12.1 10.2 21.7 96 96 A b - 0 0 76 -41,-0.3 2,-0.2 -42,-0.1 -44,-0.1 -0.538 39.4-152.2 -70.0 119.3 9.0 12.2 22.5 97 97 A Q - 0 0 115 -2,-0.4 2,-0.2 1,-0.1 -1,-0.0 -0.522 22.0-101.5 -90.5 160.4 8.4 12.2 26.2 98 98 A A - 0 0 104 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.523 51.0-168.3 -73.6 146.5 5.1 12.5 28.0 99 99 A A - 0 0 34 -2,-0.2 2,-0.2 -3,-0.0 -12,-0.0 -0.983 24.0-110.3-144.8 155.8 4.8 16.1 29.4 100 100 A S - 0 0 72 -2,-0.3 2,-1.0 -17,-0.1 3,-0.2 -0.516 28.1-129.3 -79.9 148.9 2.9 18.3 31.7 101 101 A K + 0 0 134 1,-0.2 -19,-0.2 -2,-0.2 3,-0.1 -0.695 45.6 152.6-101.9 80.3 0.7 21.1 30.2 102 102 A V + 0 0 40 -2,-1.0 2,-0.4 -21,-0.9 -1,-0.2 0.927 64.3 29.0 -75.1 -48.7 1.8 24.1 32.2 103 103 A V B -L 81 0E 3 -22,-1.9 -22,-2.4 -3,-0.2 2,-0.3 -0.928 68.0-178.9-119.2 141.7 1.2 26.8 29.6 104 104 A S - 0 0 51 -2,-0.4 2,-0.3 -24,-0.2 -28,-0.1 -0.963 10.6-158.6-137.9 154.4 -1.5 26.9 26.9 105 105 A I - 0 0 9 -2,-0.3 102,-0.2 -33,-0.1 -26,-0.1 -0.854 16.3-141.2-126.0 162.6 -2.6 29.3 24.1 106 106 A D - 0 0 99 100,-2.2 2,-0.3 -2,-0.3 101,-0.2 0.722 68.4 -48.2 -97.3 -26.6 -5.9 29.6 22.2 107 107 A G E -B 206 0A 13 99,-1.5 99,-3.0 2,-0.0 2,-0.3 -0.942 50.3-106.6-177.9-161.9 -4.6 30.3 18.7 108 108 A Y E -B 205 0A 61 97,-0.3 2,-0.4 -2,-0.3 95,-0.0 -0.988 16.9-150.4-154.7 151.1 -2.4 32.4 16.5 109 109 A N E -B 204 0A 78 95,-2.8 95,-1.9 -2,-0.3 2,-0.3 -0.966 11.5-136.2-128.5 143.1 -2.7 35.2 14.0 110 110 A G E -B 203 0A 44 -2,-0.4 93,-0.3 93,-0.2 3,-0.0 -0.711 19.5-132.9 -95.4 147.6 -0.7 36.2 10.9 111 111 A V - 0 0 7 91,-2.6 3,-0.1 -2,-0.3 8,-0.1 -0.748 37.7 -88.7 -97.3 146.5 0.2 39.8 10.3 112 112 A P > - 0 0 81 0, 0.0 3,-0.6 0, 0.0 7,-0.1 -0.295 55.9-104.8 -53.9 134.8 -0.3 41.3 6.8 113 113 A F T 3 S+ 0 0 123 1,-0.2 87,-0.2 88,-0.1 88,-0.1 -0.302 90.8 2.7 -68.1 145.5 2.8 40.7 4.7 114 114 A c T 3 S+ 0 0 45 85,-2.6 2,-0.3 79,-0.2 -1,-0.2 0.887 95.1 120.1 46.5 51.5 5.4 43.4 3.9 115 115 A N <> + 0 0 72 -3,-0.6 4,-1.9 84,-0.5 3,-0.4 -0.763 36.5 179.7-142.6 87.9 3.6 46.0 6.0 116 116 A E H > S+ 0 0 16 76,-0.4 4,-2.5 -2,-0.3 5,-0.1 0.732 81.7 61.9 -65.5 -21.8 5.8 47.3 8.8 117 117 A X H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 108.4 42.6 -69.1 -40.1 3.1 49.6 10.0 118 118 A A H > S+ 0 0 23 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.855 113.7 52.5 -71.8 -35.5 0.9 46.6 10.7 119 119 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.901 106.4 53.3 -66.5 -40.3 3.9 44.8 12.2 120 120 A K H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 108.3 51.0 -59.8 -42.9 4.6 47.7 14.5 121 121 A Q H X S+ 0 0 122 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.902 111.1 47.5 -62.0 -42.3 1.0 47.5 15.7 122 122 A A H >X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 3,-1.2 0.934 111.2 50.0 -65.8 -46.1 1.3 43.8 16.4 123 123 A V H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.839 102.3 61.8 -62.4 -32.6 4.6 44.2 18.3 124 124 A A H 3< S+ 0 0 17 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.766 110.4 41.8 -64.6 -23.0 3.1 47.0 20.4 125 125 A V H << S- 0 0 73 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.827 133.6 -28.9 -91.1 -38.5 0.6 44.4 21.7 126 126 A Q S < S- 0 0 10 -4,-2.1 -1,-0.3 35,-0.1 35,-0.1 -0.948 76.4 -71.3-173.7 155.2 3.1 41.5 22.1 127 127 A P - 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