==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-10 3P5W . COMPND 2 MOLECULE: ACTINIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINIDIA ARGUTA; . AUTHOR Y.MANICKAM,N.NIRMAL,A.SUZUKI,Y.SUGIYAMA,T.YAMANE,V.DEVADASAN . 220 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 17.7 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 . 3 1.4 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 . 1 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 . 15 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 1 0 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 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 L 0 0 93 0, 0.0 125,-0.1 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 155.0 26.0 15.7 30.0 2 2 A P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 127,-0.0 -0.266 360.0-134.2 -59.8 152.8 27.9 19.0 30.3 3 3 A D S S+ 0 0 140 1,-0.2 2,-0.4 168,-0.0 0, 0.0 0.779 91.4 31.4 -79.2 -30.5 30.8 19.2 32.8 4 4 A Y - 0 0 119 166,-0.1 2,-0.4 125,-0.0 166,-0.2 -0.996 64.1-180.0-131.3 132.7 29.6 22.6 34.2 5 5 A V E +A 169 0A 14 164,-2.7 164,-2.2 -2,-0.4 2,-0.2 -0.997 8.0 164.5-130.3 130.5 26.1 24.0 34.4 6 6 A D E > -A 168 0A 18 -2,-0.4 3,-1.4 162,-0.2 4,-0.4 -0.730 16.6-170.2-145.1 96.6 25.3 27.5 35.8 7 7 A W G > >S+ 0 0 43 160,-2.9 5,-2.5 1,-0.3 3,-0.6 0.688 86.6 65.2 -60.7 -20.6 21.9 28.9 35.0 8 8 A R G > 5S+ 0 0 88 159,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.868 92.8 61.6 -63.8 -39.0 22.9 32.3 36.4 9 9 A S G < 5S+ 0 0 91 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.633 108.2 43.1 -66.7 -16.4 25.5 32.7 33.6 10 10 A S G < 5S- 0 0 87 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.072 119.7-105.2-117.0 20.4 22.7 32.6 31.0 11 11 A G T < 5S+ 0 0 30 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.792 83.6 123.9 63.3 33.8 20.2 34.9 32.9 12 12 A A < + 0 0 3 -5,-2.5 2,-0.4 155,-0.1 -4,-0.2 0.279 56.9 78.1-102.3 8.9 17.8 32.2 34.1 13 13 A V - 0 0 18 -6,-0.3 2,-0.1 -5,-0.2 3,-0.1 -0.968 69.5-142.2-128.0 122.5 18.2 33.2 37.8 14 14 A V - 0 0 16 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.466 45.4 -81.1 -72.9 147.4 16.6 36.1 39.6 15 15 A D - 0 0 139 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.112 64.5 -76.6 -47.3 146.5 18.7 37.9 42.2 16 16 A I - 0 0 26 175,-0.2 2,-0.2 -3,-0.1 170,-0.2 -0.156 52.1-159.2 -48.9 131.5 18.9 36.3 45.7 17 17 A K - 0 0 33 165,-0.4 168,-2.0 168,-0.2 2,-0.4 -0.624 10.7-131.7-109.6 172.2 15.8 36.7 47.9 18 18 A D B -I 184 0B 89 166,-0.2 166,-0.2 -2,-0.2 165,-0.1 -0.981 6.0-162.8-131.5 117.5 15.2 36.4 51.6 19 19 A Q - 0 0 14 164,-3.1 165,-0.1 -2,-0.4 5,-0.1 0.640 32.9-168.8 -69.2 -16.3 12.3 34.4 53.2 20 20 A G - 0 0 39 163,-0.4 2,-1.9 1,-0.2 -1,-0.2 -0.204 56.6 -12.6 58.9-148.8 12.8 36.3 56.5 21 21 A Q S S+ 0 0 203 72,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.436 114.3 90.7 -85.6 66.4 11.0 35.0 59.6 22 22 A a S S- 0 0 11 -2,-1.9 2,-2.0 72,-0.1 3,-0.1 -0.938 76.2-129.3-164.8 127.9 8.7 32.7 57.8 23 23 A G B +j 66 0C 26 42,-1.7 44,-1.3 -2,-0.3 3,-0.2 -0.433 68.4 122.4 -83.3 63.9 9.0 29.0 56.9 24 24 A S >> + 0 0 0 -2,-2.0 3,-1.7 1,-0.1 4,-1.5 0.076 21.5 121.1-113.2 19.1 8.1 29.6 53.2 25 25 A C H 3> S+ 0 0 12 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.843 70.8 64.3 -53.9 -36.8 11.3 28.2 51.7 26 26 A W H 3> S+ 0 0 3 -3,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.835 103.5 47.0 -51.9 -38.5 9.1 25.7 49.8 27 27 A A H <> S+ 0 0 0 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.861 110.6 50.6 -76.3 -39.6 7.5 28.7 48.0 28 28 A F H X S+ 0 0 11 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.868 112.0 48.6 -63.3 -38.9 10.9 30.3 47.2 29 29 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.945 111.7 48.7 -65.8 -50.3 12.1 27.0 45.8 30 30 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.952 115.4 45.3 -49.3 -55.8 8.9 26.6 43.7 31 31 A I H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.895 109.1 52.3 -61.0 -48.3 9.3 30.2 42.3 32 32 A A H X S+ 0 0 9 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.883 112.9 47.1 -59.2 -38.9 13.0 30.0 41.5 33 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.891 113.6 46.9 -66.2 -43.6 12.4 26.9 39.5 34 34 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.927 111.0 52.4 -64.4 -46.3 9.3 28.4 37.7 35 35 A E H X S+ 0 0 1 -4,-3.5 4,-1.7 1,-0.2 11,-0.3 0.845 110.6 50.0 -51.6 -40.6 11.4 31.6 37.0 36 36 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.918 110.4 45.5 -70.6 -47.5 14.1 29.4 35.5 37 37 A I H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.863 109.9 56.9 -67.4 -35.1 12.0 27.4 33.1 38 38 A N H X>S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.941 109.6 44.8 -58.3 -48.4 10.1 30.5 32.0 39 39 A K H X5S+ 0 0 60 -4,-1.7 4,-2.2 3,-0.2 -2,-0.2 0.935 114.7 48.7 -59.3 -48.4 13.5 32.1 30.9 40 40 A I H <5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.2 35.2 -57.4 -45.8 14.6 28.8 29.2 41 41 A A H <5S+ 0 0 11 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.789 133.1 23.2 -80.9 -30.8 11.3 28.4 27.3 42 42 A T H <5S- 0 0 79 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.641 92.8-122.0-115.5 -21.2 10.4 32.1 26.6 43 43 A G S < + 0 0 0 35,-2.1 4,-0.7 -2,-0.2 35,-0.1 -0.615 29.9 172.2 -91.8 110.6 5.4 36.0 43.6 50 50 A E H >> S+ 0 0 2 -2,-0.6 4,-2.0 2,-0.2 3,-0.6 0.891 85.0 60.7 -69.1 -43.6 6.2 33.8 46.7 51 51 A Q H 3> S+ 0 0 2 38,-0.4 4,-3.3 1,-0.2 5,-0.4 0.852 96.2 60.7 -54.5 -39.8 3.5 35.6 48.7 52 52 A E H 3> S+ 0 0 0 37,-0.4 4,-3.1 1,-0.2 5,-0.4 0.909 107.9 44.1 -53.7 -44.9 0.9 34.4 46.2 53 53 A L H - 0 0 110 4,-2.8 3,-2.8 -2,-0.5 2,-0.2 -0.417 37.6-118.1-133.3 53.2 0.8 25.8 55.2 64 64 A G T > S+ 0 0 0 1,-0.3 3,-0.7 -11,-0.2 -1,-0.2 -0.261 99.1 4.2 55.1-112.7 2.4 29.2 54.3 65 65 A a T 3 S+ 0 0 29 1,-0.2 -42,-1.7 -2,-0.2 -1,-0.3 0.536 122.5 73.3 -81.8 -8.0 5.0 30.0 56.9 66 66 A D B < S-j 23 0C 118 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.110 114.5 -94.0 -91.0 20.6 4.5 26.7 58.7 67 67 A G < + 0 0 24 -44,-1.3 -4,-2.8 -3,-0.7 -1,-0.3 -0.065 51.4 176.8 90.0 168.0 6.3 24.9 55.8 68 68 A G - 0 0 21 -6,-0.3 2,-0.4 -5,-0.1 -6,-0.1 -0.950 27.6 -77.5 178.7-162.5 5.1 23.1 52.7 69 69 A F >> - 0 0 82 -2,-0.3 4,-1.4 1,-0.1 3,-0.8 -0.987 17.6-138.9-136.5 132.1 5.9 21.3 49.5 70 70 A M H 3> S+ 0 0 12 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.804 104.3 63.7 -57.6 -31.6 7.1 22.5 46.1 71 71 A T H 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 103.7 47.1 -63.6 -37.0 4.8 20.0 44.4 72 72 A D H <> S+ 0 0 30 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.812 109.7 56.4 -67.9 -31.3 1.8 21.9 45.9 73 73 A G H X S+ 0 0 1 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.955 111.8 39.6 -61.2 -52.0 3.6 25.1 44.6 74 74 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.874 114.2 55.6 -64.3 -41.6 3.7 23.8 41.0 75 75 A Q H X S+ 0 0 76 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.901 104.5 52.4 -58.8 -46.5 0.2 22.4 41.4 76 76 A F H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 6,-0.3 0.931 110.8 47.6 -56.3 -47.8 -1.3 25.7 42.5 77 77 A I H X>S+ 0 0 1 -4,-1.5 5,-1.4 2,-0.2 4,-0.8 0.822 113.3 48.2 -64.3 -35.7 0.2 27.4 39.4 78 78 A I H ><5S+ 0 0 48 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.965 116.4 42.7 -66.4 -52.8 -1.1 24.7 37.1 79 79 A N H 3<5S+ 0 0 119 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.789 115.9 48.9 -65.0 -32.1 -4.6 24.9 38.6 80 80 A N H 3<5S- 0 0 23 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.630 109.5-121.8 -81.5 -17.3 -4.6 28.7 38.7 81 81 A G T <<5S- 0 0 44 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.636 76.1 -20.9 80.5 15.7 -3.4 28.9 35.1 82 82 A G < - 0 0 0 -5,-1.4 2,-0.3 -6,-0.3 27,-0.2 -0.895 68.4 -92.2 146.6-173.8 -0.4 30.9 36.2 83 83 A I B -L 108 0E 0 25,-2.2 24,-2.2 -2,-0.3 25,-1.5 -0.987 27.5-125.4-139.8 144.3 1.4 33.1 38.7 84 84 A N - 0 0 0 -2,-0.3 -35,-2.1 22,-0.2 2,-0.1 -0.342 38.2 -94.2 -81.2 169.8 1.6 36.9 39.3 85 85 A T B > -K 48 0D 17 -37,-0.3 4,-2.5 1,-0.1 -37,-0.3 -0.393 23.5-114.6 -85.5 162.9 4.9 38.7 39.6 86 86 A E T 4 S+ 0 0 36 -39,-2.1 -38,-0.2 2,-0.2 5,-0.1 0.874 116.5 52.4 -56.4 -45.0 6.9 39.7 42.7 87 87 A A T 4 S+ 0 0 87 -40,-0.5 -1,-0.2 1,-0.2 -39,-0.1 0.896 114.5 41.2 -63.9 -41.2 6.4 43.4 42.0 88 88 A N T 4 S+ 0 0 60 1,-0.2 -2,-0.2 14,-0.1 -1,-0.2 0.832 129.0 27.5 -76.7 -35.8 2.6 43.0 41.7 89 89 A Y S < S- 0 0 11 -4,-2.5 -37,-0.4 13,-0.1 -38,-0.4 -0.683 92.4-161.8-127.0 77.6 2.1 40.6 44.6 90 90 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.124 20.4-101.4 -73.5 157.3 5.0 41.4 47.0 91 91 A Y + 0 0 51 1,-0.1 -42,-0.0 -5,-0.1 -5,-0.0 -0.527 34.8 171.3 -79.7 134.5 6.5 39.4 49.8 92 92 A T - 0 0 79 -2,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.443 42.1-126.8-119.9 -7.2 5.6 40.3 53.4 93 93 A A S S+ 0 0 29 1,-0.2 2,-0.3 -73,-0.1 -72,-0.1 0.788 81.8 82.9 56.0 32.4 7.1 37.3 55.3 94 94 A E S S- 0 0 133 -72,-0.1 2,-0.4 -30,-0.0 -2,-0.3 -0.977 89.7 -92.3-157.0 155.8 3.8 36.6 57.0 95 95 A E + 0 0 93 -2,-0.3 2,-0.2 -3,-0.1 -40,-0.1 -0.577 49.9 174.4 -76.8 120.7 0.5 34.8 56.2 96 96 A G - 0 0 36 -2,-0.4 2,-0.2 -45,-0.2 3,-0.0 -0.730 39.2 -80.5-119.2 169.5 -2.0 37.1 54.6 97 97 A Q - 0 0 184 -2,-0.2 2,-0.3 1,-0.1 -41,-0.1 -0.510 57.7 -98.9 -67.8 136.3 -5.5 36.7 53.1 98 98 A b - 0 0 37 -43,-0.4 2,-1.2 -2,-0.2 -1,-0.1 -0.428 32.2-138.0 -59.6 118.7 -5.4 35.5 49.5 99 99 A N > - 0 0 68 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 -0.718 17.4-169.2 -83.5 97.2 -5.7 38.5 47.2 100 100 A L H > S+ 0 0 107 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.801 82.4 57.3 -61.4 -33.0 -8.1 37.2 44.5 101 101 A D H 4 S+ 0 0 134 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.932 112.9 40.4 -59.0 -47.6 -7.6 40.3 42.2 102 102 A L H >4 S+ 0 0 37 -3,-0.3 3,-0.7 1,-0.2 -2,-0.2 0.812 109.7 59.7 -74.6 -31.9 -3.8 39.6 42.2 103 103 A Q H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 101.5 55.4 -60.5 -31.8 -4.4 35.9 41.9 104 104 A Q T 3< S+ 0 0 106 -4,-1.5 2,-0.7 -3,-0.2 -1,-0.2 0.644 89.2 90.8 -74.9 -17.0 -6.4 36.5 38.6 105 105 A E < - 0 0 62 -3,-0.7 2,-0.5 -4,-0.4 -23,-0.0 -0.752 60.2-177.4 -86.6 113.9 -3.3 38.3 37.3 106 106 A K + 0 0 95 -2,-0.7 -22,-0.2 1,-0.1 3,-0.1 -0.946 23.3 154.5-123.7 115.1 -1.2 35.8 35.4 107 107 A Y S S+ 0 0 128 -24,-2.2 2,-0.4 -2,-0.5 -23,-0.2 0.652 72.1 33.6-109.9 -24.8 2.2 36.6 33.8 108 108 A V B -L 83 0E 5 -25,-1.5 -25,-2.2 2,-0.0 2,-0.3 -0.996 67.1-175.6-133.2 139.7 3.9 33.2 33.9 109 109 A S - 0 0 50 -2,-0.4 2,-0.3 -27,-0.2 -31,-0.1 -0.915 11.6-154.2-130.1 159.7 2.4 29.7 33.5 110 110 A I - 0 0 9 -2,-0.3 107,-0.2 -33,-0.3 -29,-0.1 -0.958 9.0-153.0-128.4 155.0 3.5 26.1 33.6 111 111 A D S S- 0 0 58 105,-2.7 2,-0.2 -2,-0.3 106,-0.2 0.817 70.7 -29.5 -92.8 -33.7 2.0 23.1 31.9 112 112 A T E -B 216 0A 41 104,-1.6 104,-3.4 2,-0.0 2,-0.3 -0.868 55.0-128.6-164.6-179.6 3.0 20.3 34.3 113 113 A Y E -B 215 0A 56 102,-0.3 2,-0.3 -2,-0.2 -42,-0.0 -0.973 14.1-152.4-145.9 161.2 5.7 19.2 36.8 114 114 A E E -B 214 0A 93 100,-2.8 100,-2.3 -2,-0.3 2,-0.4 -0.979 12.0-132.6-134.5 147.6 7.8 16.1 37.3 115 115 A N E -B 213 0A 96 -2,-0.3 98,-0.3 98,-0.2 3,-0.0 -0.805 25.0-126.9 -91.3 136.6 9.6 14.4 40.2 116 116 A V - 0 0 10 96,-2.9 96,-0.3 -2,-0.4 3,-0.1 -0.681 42.9 -93.2 -75.4 134.7 13.2 13.3 39.8 117 117 A P > - 0 0 79 0, 0.0 3,-0.5 0, 0.0 6,-0.1 -0.334 56.2-105.0 -50.2 127.2 13.6 9.6 40.6 118 118 A Y T 3 S+ 0 0 177 1,-0.2 92,-0.2 92,-0.1 93,-0.1 -0.120 94.2 13.2 -59.6 151.7 14.5 9.6 44.3 119 119 A N T 3 S+ 0 0 61 90,-1.5 2,-0.3 84,-0.2 83,-0.3 0.855 94.3 120.2 50.2 46.1 18.1 8.9 45.5 120 120 A N <> + 0 0 63 89,-0.5 4,-2.0 -3,-0.5 -1,-0.1 -0.775 35.4 176.9-143.3 87.4 19.5 9.2 42.0 121 121 A E H > S+ 0 0 12 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.828 84.9 58.0 -63.1 -32.9 22.1 12.0 41.6 122 122 A W H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 108.7 44.0 -61.3 -46.2 22.6 11.0 38.0 123 123 A A H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.844 114.3 52.3 -66.2 -33.9 18.9 11.6 37.2 124 124 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 108.8 48.2 -68.1 -44.0 19.2 14.8 39.2 125 125 A Q H X S+ 0 0 18 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.863 109.5 55.1 -59.6 -40.3 22.3 15.9 37.2 126 126 A T H X S+ 0 0 61 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.913 111.4 43.0 -58.9 -49.1 20.3 15.1 34.0 127 127 A A H >X S+ 0 0 11 -4,-2.0 4,-1.8 1,-0.2 3,-0.9 0.902 112.8 52.6 -65.3 -42.0 17.4 17.3 35.1 128 128 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.810 100.2 62.4 -65.6 -29.5 19.8 20.1 36.2 129 129 A A H 3< S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 112.1 38.9 -64.2 -26.4 21.6 20.1 32.8 130 130 A Y H << S- 0 0 101 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.810 130.8 -26.3 -92.6 -32.0 18.2 21.1 31.4 131 131 A Q S < S- 0 0 8 -4,-1.8 -1,-0.3 35,-0.0 2,-0.1 -0.983 77.8 -64.2-168.9 164.0 16.9 23.6 34.1 132 132 A P - 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