==== 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/HYDROLASE INHIBITOR 01-NOV-76 6PAD . COMPND 2 MOLECULE: PAPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR J.DRENTH,K.H.KALK,H.M.SWEN . 213 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 14.6 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 I 0 0 133 0, 0.0 4,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 90.3 25.1 41.8 41.3 2 2 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 124,-0.0 0.088 360.0-122.5 -46.6 163.7 28.6 42.0 39.9 3 3 A E S S+ 0 0 127 1,-0.2 2,-0.4 164,-0.0 0, 0.0 0.614 102.2 42.8 -85.0 -17.8 29.4 44.5 37.2 4 4 A Y - 0 0 130 163,-0.2 2,-0.4 164,-0.1 -1,-0.2 -0.999 64.9-173.8-135.7 133.7 30.4 41.5 35.1 5 5 A V E +A 166 0A 13 161,-2.1 161,-0.8 -2,-0.4 2,-0.5 -0.863 15.2 157.3-133.8 99.2 28.7 38.2 34.6 6 6 A D E -A 165 0A 30 -2,-0.4 159,-0.2 159,-0.2 -2,-0.0 -0.991 16.2-178.1-123.3 123.6 30.4 35.4 32.6 7 7 A W S >S+ 0 0 36 157,-1.3 5,-2.1 -2,-0.5 6,-0.5 0.527 76.7 74.9 -94.6 -12.8 29.3 31.8 33.2 8 8 A R T > 5S+ 0 0 121 156,-0.5 3,-2.0 1,-0.3 4,-0.2 0.982 101.8 38.6 -61.4 -61.6 31.9 30.5 30.7 9 9 A Q T 3 5S+ 0 0 164 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.294 110.4 67.2 -73.2 9.4 34.8 31.1 33.0 10 10 A K T 3 5S- 0 0 132 -3,-0.5 -1,-0.3 3,-0.1 -2,-0.2 0.453 114.0-116.1-105.4 -10.0 32.4 29.9 35.7 11 11 A G T < 5S+ 0 0 28 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.887 83.9 112.9 71.7 44.7 32.3 26.4 34.3 12 12 A A < + 0 0 4 -5,-2.1 2,-0.4 -4,-0.2 34,-0.2 0.658 62.7 53.6-113.0 -28.8 28.6 26.5 33.4 13 13 A V - 0 0 22 -6,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.892 68.3-150.3-114.4 143.0 28.5 26.4 29.6 14 14 A T - 0 0 18 -2,-0.4 -2,-0.0 1,-0.3 32,-0.0 -0.390 44.9 -52.0-100.3 179.4 30.1 23.8 27.4 15 15 A P - 0 0 89 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.104 68.7 -91.9 -46.6 165.4 31.5 24.1 23.9 16 16 A V - 0 0 26 168,-0.1 2,-0.3 -3,-0.1 163,-0.1 -0.484 42.0-168.1 -85.7 155.5 29.3 25.6 21.1 17 17 A K - 0 0 23 158,-0.4 2,-0.4 160,-0.2 3,-0.1 -0.853 15.2-128.4-137.9 171.5 27.0 23.6 18.7 18 18 A N - 0 0 74 -2,-0.3 159,-0.3 1,-0.1 3,-0.1 -0.986 5.7-156.4-129.5 136.8 25.0 23.9 15.6 19 19 A Q - 0 0 10 157,-2.4 158,-0.1 -2,-0.4 2,-0.1 0.712 40.3-162.0 -78.1 -24.8 21.3 23.0 14.9 20 20 A G - 0 0 36 156,-0.4 2,-0.7 1,-0.2 -1,-0.2 -0.403 59.4 -15.9 75.8-151.8 22.3 22.7 11.3 21 21 A S S S+ 0 0 141 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.041 114.9 106.1 -75.3 33.0 19.5 22.7 8.6 22 22 A a S S- 0 0 3 -2,-0.7 2,-2.2 -3,-0.1 42,-0.2 -0.982 71.8-139.8-121.2 122.3 17.1 22.0 11.5 23 23 A G + 0 0 19 -2,-0.5 41,-2.8 1,-0.2 42,-1.3 -0.596 63.5 124.1 -81.1 78.6 14.8 24.8 12.8 24 24 A S >> + 0 0 2 -2,-2.2 3,-1.2 39,-0.3 4,-1.1 0.120 12.3 135.6-137.1 20.1 15.4 23.6 16.4 25 25 A C H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.789 73.1 59.6 -0.0 -66.7 16.7 26.9 18.1 26 26 A W H 3> S+ 0 0 0 188,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.900 100.8 46.1 -64.7 -44.7 14.4 26.2 21.0 27 27 A A H <> S+ 0 0 0 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.753 114.7 49.5 -72.0 -29.0 15.6 22.8 22.2 28 28 A F H X S+ 0 0 9 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.885 107.7 52.7 -76.1 -44.5 19.2 23.9 22.1 29 29 A S H X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 3,-0.2 0.896 112.2 48.7 -56.9 -44.3 18.5 27.1 24.1 30 30 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 3,-0.5 0.927 102.5 56.9 -61.0 -54.1 16.8 24.9 26.7 31 31 A V H X S+ 0 0 3 -4,-1.8 4,-1.4 1,-0.3 17,-0.3 0.764 110.4 48.5 -50.4 -30.8 19.5 22.3 27.1 32 32 A V H X S+ 0 0 14 -4,-1.2 4,-2.5 -3,-0.2 -1,-0.3 0.822 111.5 49.9 -78.6 -37.0 21.8 25.2 28.0 33 33 A T H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.5 5,-0.2 0.995 117.1 37.2 -63.2 -68.4 19.3 26.6 30.4 34 34 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.932 116.0 58.2 -48.3 -54.0 18.6 23.4 32.4 35 35 A E H X S+ 0 0 1 -4,-1.4 4,-1.3 -5,-0.4 -1,-0.2 0.895 103.7 50.1 -40.4 -61.3 22.3 22.6 31.9 36 36 A G H >X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-1.0 0.907 113.6 43.6 -45.0 -59.4 23.5 25.8 33.7 37 37 A I H 3X S+ 0 0 2 -4,-1.8 4,-0.9 1,-0.3 5,-0.3 0.871 107.9 60.8 -56.3 -43.0 21.3 25.3 36.7 38 38 A I H 3X S+ 0 0 11 -4,-2.9 4,-0.7 1,-0.2 6,-0.5 0.751 111.5 39.2 -56.5 -29.8 22.2 21.7 36.9 39 39 A K H + 0 0 0 32,-2.2 4,-0.5 33,-0.4 32,-0.2 -0.582 29.3 178.7 -78.9 129.1 20.4 16.0 24.3 50 50 A E H > S+ 0 0 2 -2,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.709 83.5 68.6 -93.7 -31.1 18.4 18.5 22.3 51 51 A Q H > S+ 0 0 0 35,-0.5 4,-2.4 1,-0.2 42,-0.3 0.886 98.0 52.0 -53.1 -44.3 17.6 15.8 19.7 52 52 A E H > S+ 0 0 4 34,-0.5 4,-2.4 1,-0.2 5,-0.3 0.908 105.2 54.2 -58.5 -47.5 15.5 14.1 22.4 53 53 A L H X S+ 0 0 1 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.798 110.0 49.8 -57.1 -33.1 13.6 17.4 23.0 54 54 A L H < S+ 0 0 2 -4,-1.6 8,-0.3 -3,-0.2 -2,-0.2 0.950 114.7 40.0 -70.6 -55.5 12.9 17.4 19.3 55 55 A D H < S+ 0 0 0 -4,-2.4 40,-0.5 1,-0.2 -2,-0.2 0.692 123.4 41.3 -67.9 -24.6 11.6 13.9 18.9 56 56 A b H < S+ 0 0 33 -4,-2.4 2,-1.0 -5,-0.2 -3,-0.2 0.823 95.3 78.5 -91.7 -41.2 9.7 14.0 22.2 57 57 A D <> + 0 0 5 -4,-1.7 5,-0.6 -5,-0.3 -1,-0.1 -0.667 44.5 164.3 -78.6 102.9 8.1 17.4 22.2 58 58 A R T 5S+ 0 0 152 -2,-1.0 -1,-0.2 1,-0.2 -4,-0.0 0.547 73.2 68.8 -93.0 -14.7 5.1 17.1 19.9 59 59 A R T 5S+ 0 0 112 -3,-0.1 2,-0.2 8,-0.1 -1,-0.2 0.781 100.5 56.2 -72.3 -30.0 3.8 20.4 21.3 60 60 A S T 5S- 0 0 2 -6,-0.1 6,-0.2 6,-0.1 2,-0.1 -0.525 93.5-122.7 -95.6 166.2 6.7 22.0 19.5 61 61 A Y T 5 - 0 0 78 4,-0.8 5,-0.1 1,-0.3 -38,-0.1 -0.399 36.0-151.5-109.8 50.4 7.2 21.5 15.7 62 62 A G S > > - 0 0 47 -2,-0.3 4,-1.6 1,-0.1 3,-1.5 -0.911 11.8-156.5-132.3 103.2 8.8 26.8 22.5 68 68 A P H 3> S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.701 102.0 59.7 -46.7 -21.2 12.0 26.9 24.6 69 69 A W H 3> S+ 0 0 94 2,-0.2 4,-1.2 3,-0.1 5,-0.2 0.750 100.1 51.9 -95.9 -18.2 9.4 27.0 27.3 70 70 A S H <> S+ 0 0 0 -3,-1.5 4,-3.7 2,-0.1 5,-0.1 0.996 106.8 54.2 -66.5 -49.7 7.9 23.6 26.3 71 71 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.906 111.8 42.3 -42.2 -62.1 11.3 21.9 26.4 72 72 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.948 114.7 49.9 -51.8 -58.9 12.1 23.0 29.9 73 73 A Q H X S+ 0 0 46 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.908 109.8 54.5 -46.2 -50.6 8.6 22.2 31.2 74 74 A L H X S+ 0 0 19 -4,-3.7 4,-4.0 2,-0.2 -1,-0.2 0.941 108.5 46.8 -47.5 -61.6 9.0 18.8 29.5 75 75 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 111.5 49.9 -46.6 -59.0 12.2 18.0 31.3 76 76 A A H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 117.3 43.0 -48.9 -45.7 10.9 19.1 34.7 77 77 A Q H < S- 0 0 96 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.957 143.3 -4.2 -65.7 -56.7 7.8 16.9 34.1 78 78 A Y S < S- 0 0 138 -4,-4.0 2,-0.3 1,-0.2 -3,-0.2 0.807 97.4-121.5-100.0 -82.8 9.7 13.9 32.6 79 79 A G - 0 0 3 -5,-0.2 2,-0.3 27,-0.1 27,-0.3 -0.971 14.4-104.6 164.0-158.5 13.4 14.6 32.3 80 80 A I B -I 105 0C 0 25,-2.5 25,-2.2 -2,-0.3 24,-1.1 -0.940 20.5-132.3-164.7 142.2 16.3 14.7 29.7 81 81 A H - 0 0 6 -2,-0.3 -32,-2.2 1,-0.2 22,-0.1 -0.305 33.7 -85.9 -91.3 174.9 19.2 12.5 28.7 82 82 A Y B -H 48 0B 88 -34,-0.3 -33,-0.4 1,-0.1 -34,-0.3 -0.183 37.3-114.7 -71.6 171.0 22.9 13.2 28.0 83 83 A R S S+ 0 0 44 -36,-2.7 5,-0.3 -35,-0.2 -35,-0.2 0.076 117.2 55.4 -96.2 18.4 24.0 14.3 24.5 84 84 A N S S+ 0 0 137 -37,-0.2 -1,-0.2 2,-0.1 -36,-0.1 0.639 108.0 43.1-114.9 -41.1 25.8 11.0 24.3 85 85 A T S S+ 0 0 62 1,-0.2 -2,-0.2 0, 0.0 -4,-0.1 0.174 138.1 18.9 -91.2 13.1 22.9 8.7 25.0 86 86 A Y S S- 0 0 2 -5,-0.1 -34,-0.5 2,-0.0 -35,-0.5 0.061 86.0-177.9-176.2 42.8 20.9 11.0 22.7 87 87 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.043 37.1 -94.8 -46.6 158.7 23.3 12.9 20.5 88 88 A Y + 0 0 43 -5,-0.3 -2,-0.0 1,-0.2 -5,-0.0 -0.621 42.8 168.2 -83.5 139.3 21.9 15.5 18.0 89 89 A E - 0 0 85 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.636 47.2-119.5-116.9 -39.6 21.4 14.3 14.5 90 90 A G S S+ 0 0 13 1,-0.2 2,-0.4 -70,-0.1 -67,-0.1 0.264 79.6 94.0 112.6 -7.0 19.3 17.2 13.1 91 91 A V S S- 0 0 78 -69,-0.1 -1,-0.2 -29,-0.0 -2,-0.1 -0.973 73.0-121.5-122.0 129.9 16.1 15.5 12.1 92 92 A Q + 0 0 64 -2,-0.4 2,-0.2 -38,-0.1 -37,-0.1 -0.384 48.2 145.8 -66.4 142.0 13.0 15.1 14.3 93 93 A R - 0 0 128 -42,-0.3 2,-0.1 -41,-0.1 3,-0.1 -0.799 45.3 -28.3-155.1-164.5 11.9 11.5 14.9 94 94 A Y - 0 0 114 -2,-0.2 -38,-0.2 1,-0.1 -39,-0.2 -0.367 69.0-100.9 -65.1 137.3 10.3 9.0 17.3 95 95 A b + 0 0 10 -40,-0.5 4,-0.2 1,-0.2 -1,-0.1 -0.388 38.1 178.5 -60.7 131.4 10.7 9.7 21.1 96 96 A R > + 0 0 45 2,-0.1 4,-4.7 -44,-0.1 5,-0.3 0.457 52.2 104.8-112.1 -12.5 13.5 7.5 22.4 97 97 A S H > S+ 0 0 2 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.866 89.5 34.3 -30.8 -75.5 13.3 8.9 26.0 98 98 A R H >4 S+ 0 0 160 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.884 121.2 48.1 -49.7 -51.5 11.5 5.8 27.3 99 99 A E H 34 S+ 0 0 129 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.809 105.3 60.7 -61.4 -34.5 13.4 3.4 25.0 100 100 A K H 3< S- 0 0 86 -4,-4.7 -1,-0.2 -3,-0.3 -2,-0.2 0.777 107.5-136.9 -63.7 -30.9 16.7 5.0 26.0 101 101 A G << + 0 0 25 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.0 -0.680 55.0 17.0 107.8-159.8 16.0 4.1 29.6 102 102 A P S S- 0 0 119 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.073 78.5-115.3 -46.6 143.6 16.4 5.9 32.9 103 103 A Y - 0 0 89 1,-0.1 -22,-0.2 -25,-0.1 3,-0.1 -0.281 17.9-158.9 -76.8 168.1 16.6 9.7 32.6 104 104 A A S S+ 0 0 45 -24,-1.1 2,-0.4 1,-0.4 -23,-0.2 0.613 74.0 31.7-119.8 -33.2 19.9 11.4 33.7 105 105 A A B +I 80 0C 6 -25,-2.2 -25,-2.5 -23,-0.0 -1,-0.4 -0.989 58.8 164.5-133.8 139.7 18.7 15.0 34.4 106 106 A K - 0 0 109 -2,-0.4 -30,-0.2 -27,-0.3 -27,-0.1 -0.855 20.1-149.1-159.9 118.0 15.3 16.2 35.6 107 107 A T - 0 0 1 -2,-0.3 104,-0.2 -35,-0.2 3,-0.1 0.008 17.1-125.7 -75.9-176.0 14.5 19.7 36.9 108 108 A D S S- 0 0 86 102,-2.7 2,-0.2 1,-0.4 103,-0.2 -0.096 73.4 -33.7-128.3 33.6 12.0 20.8 39.5 109 109 A G - 0 0 20 101,-0.4 101,-0.7 -37,-0.2 -1,-0.4 -0.593 51.7-113.4 134.0 166.8 10.0 23.5 37.7 110 110 A V E -B 209 0A 51 99,-0.3 2,-0.3 -2,-0.2 100,-0.1 -0.998 24.2-179.7-137.9 138.0 10.0 26.3 35.2 111 111 A R E -B 208 0A 165 97,-2.9 97,-2.4 98,-0.4 2,-0.3 -0.951 17.6-135.7-136.1 152.7 9.5 30.0 35.6 112 112 A Q E -B 207 0A 98 -2,-0.3 2,-0.4 95,-0.2 95,-0.2 -0.850 17.3-123.6-112.7 147.0 9.5 33.0 33.2 113 113 A V E -B 206 0A 11 93,-1.6 93,-0.6 -2,-0.3 3,-0.1 -0.720 42.3 -93.5 -90.4 136.8 11.1 36.4 33.5 114 114 A Q - 0 0 139 -2,-0.4 6,-0.2 91,-0.1 3,-0.2 -0.328 50.7-119.6 -53.8 109.4 8.8 39.4 33.2 115 115 A P S S+ 0 0 50 0, 0.0 89,-0.2 0, 0.0 90,-0.1 0.080 87.5 27.6 -46.6 162.8 9.1 40.4 29.6 116 116 A Y S S+ 0 0 103 87,-4.3 2,-0.2 81,-0.2 81,-0.1 0.845 90.0 106.4 41.2 59.5 10.4 43.8 28.6 117 117 A N > - 0 0 65 86,-0.2 4,-1.8 -3,-0.2 -1,-0.1 -0.723 42.6-173.0-163.9 104.2 12.7 44.6 31.6 118 118 A Q H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.937 90.3 60.6 -62.8 -50.8 16.4 44.4 31.3 119 119 A G H > S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.835 110.0 43.8 -44.1 -41.7 16.9 44.9 35.0 120 120 A A H > S+ 0 0 22 2,-0.2 4,-1.7 -6,-0.2 -1,-0.3 0.844 109.4 54.4 -73.6 -40.0 14.9 41.7 35.4 121 121 A L H X S+ 0 0 5 -4,-1.8 4,-2.3 -3,-0.2 5,-0.2 0.958 109.3 48.7 -58.7 -56.5 16.7 39.7 32.6 122 122 A L H X S+ 0 0 17 -4,-2.7 4,-1.5 2,-0.2 5,-0.2 0.918 105.7 55.9 -48.3 -58.8 20.1 40.4 34.2 123 123 A Y H >X S+ 0 0 145 -4,-1.4 4,-1.4 1,-0.3 3,-0.7 0.896 113.4 40.8 -40.9 -58.7 19.1 39.4 37.7 124 124 A S H 3X S+ 0 0 5 -4,-1.7 4,-1.7 1,-0.3 -1,-0.3 0.848 113.6 53.1 -60.5 -39.4 18.0 36.0 36.6 125 125 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.633 109.0 53.1 -70.8 -16.2 21.0 35.7 34.2 126 126 A A H << S+ 0 0 20 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.762 112.7 40.4 -87.3 -32.9 23.0 36.5 37.3 127 127 A N H < S- 0 0 75 -4,-1.4 -2,-0.2 1,-0.4 -3,-0.2 0.612 140.4 -26.8 -88.9 -18.7 21.4 33.7 39.4 128 128 A Q S < S- 0 0 20 -4,-1.7 -1,-0.4 -5,-0.2 -2,-0.2 -0.702 77.5 -81.9 166.6 142.5 21.6 31.4 36.3 129 129 A P - 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