==== 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 18-FEB-05 2BKQ . COMPND 2 MOLECULE: SENTRIN-SPECIFIC PROTEASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.N.SHEN,H.LIU,C.DONG,D.XIRODIMAS,J.H.NAISMITH,R.T.HAY . 834 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 4 0.5 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 . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 6 2 1 0 5 2 0 0 0 4 1 3 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 0 0 0 4 3 1 2 2 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 . 4 0 0 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 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 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.8 -20.9 -19.1 -9.2 2 2 A D - 0 0 59 13,-0.1 3,-0.1 12,-0.0 14,-0.0 -0.593 360.0-176.9-135.2 80.6 -18.6 -16.9 -6.9 3 3 A P - 0 0 74 0, 0.0 12,-1.9 0, 0.0 2,-0.4 -0.271 37.1 -99.2 -77.6 155.3 -17.2 -19.0 -4.0 4 4 A V E +A 14 0A 84 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.646 41.7 178.9 -66.9 126.1 -15.0 -17.8 -1.1 5 5 A V E + 0 0 42 8,-3.0 2,-0.4 -2,-0.4 9,-0.2 0.733 58.0 16.4-102.8 -35.3 -11.5 -18.9 -2.2 6 6 A L E -A 13 0A 12 7,-2.3 7,-3.7 2,-0.0 2,-0.5 -0.953 45.5-167.4-153.9 128.6 -9.3 -17.7 0.6 7 7 A S E +A 12 0A 81 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.973 23.7 168.8-109.6 119.2 -9.6 -16.6 4.2 8 8 A Y E > -A 11 0A 33 3,-2.4 3,-2.8 -2,-0.5 29,-0.1 -0.968 60.5 -54.2-138.4 112.5 -6.3 -15.0 5.3 9 9 A M T 3 S- 0 0 104 -2,-0.4 25,-0.1 1,-0.3 29,-0.0 -0.335 124.9 -17.8 52.8-122.3 -6.0 -13.1 8.5 10 10 A D T 3 S+ 0 0 155 23,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.058 119.9 102.0 -98.2 24.2 -8.8 -10.4 8.2 11 11 A S E < -A 8 0A 11 -3,-2.8 -3,-2.4 23,-0.1 2,-0.5 -0.886 47.9-173.0-109.7 138.4 -9.0 -10.9 4.4 12 12 A L E -A 7 0A 104 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.984 10.0-167.2-129.8 115.1 -11.7 -12.9 2.7 13 13 A L E -A 6 0A 0 -7,-3.7 -8,-3.0 -2,-0.5 -7,-2.3 -0.934 2.9-165.6-110.6 128.8 -11.2 -13.4 -1.0 14 14 A R E > -A 4 0A 64 -2,-0.5 4,-2.0 -10,-0.3 3,-0.4 -0.508 41.0 -98.5 -95.6 172.0 -13.9 -14.7 -3.4 15 15 A Q H > S+ 0 0 72 -12,-1.9 4,-3.0 1,-0.2 5,-0.1 0.823 122.9 57.4 -61.7 -36.2 -13.2 -15.9 -6.9 16 16 A S H 4 S+ 0 0 55 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.858 107.4 48.4 -65.8 -35.5 -14.2 -12.6 -8.4 17 17 A D H >4 S+ 0 0 11 -3,-0.4 3,-1.1 2,-0.2 4,-0.3 0.931 113.2 47.1 -65.5 -46.5 -11.6 -10.8 -6.3 18 18 A V H >< S+ 0 0 13 -4,-2.0 3,-2.2 1,-0.3 -2,-0.2 0.913 105.5 59.4 -63.7 -42.3 -8.9 -13.4 -7.3 19 19 A S G >< S+ 0 0 50 -4,-3.0 3,-1.7 1,-0.3 -1,-0.3 0.652 87.6 76.4 -58.6 -15.5 -9.9 -13.1 -11.0 20 20 A L G < S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.777 79.6 71.3 -70.8 -19.4 -9.1 -9.4 -10.8 21 21 A L G < S+ 0 0 3 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.560 82.9 86.9 -72.1 -8.0 -5.4 -10.4 -10.9 22 22 A D S X S- 0 0 77 -3,-1.7 3,-2.2 -4,-0.1 178,-0.0 -0.845 91.5 -86.2 -91.3 127.2 -6.1 -11.2 -14.6 23 23 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.379 109.3 34.9 -63.7 149.8 -5.6 -8.4 -17.0 24 24 A P T 3 S+ 0 0 92 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.787 94.9 106.7 -93.0 42.2 -7.4 -6.3 -17.9 25 25 A S < - 0 0 39 -3,-2.2 2,-0.4 -6,-0.2 -5,-0.0 -0.482 64.3-128.2 -80.0 147.4 -9.1 -6.1 -14.5 26 26 A W - 0 0 61 -2,-0.2 136,-0.1 -3,-0.1 135,-0.1 -0.707 30.7-114.8 -85.4 135.9 -8.5 -3.3 -12.0 27 27 A L - 0 0 2 134,-0.7 2,-0.2 -2,-0.4 74,-0.1 -0.395 31.4-150.3 -68.5 152.2 -7.5 -4.5 -8.5 28 28 A N > - 0 0 36 -11,-0.2 4,-1.9 -2,-0.1 5,-0.2 -0.474 32.5 -90.5-110.1-175.0 -9.9 -3.8 -5.7 29 29 A D H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 121.1 59.6 -65.5 -33.7 -9.5 -3.2 -1.9 30 30 A H H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 108.0 44.4 -59.2 -46.3 -9.7 -6.9 -1.1 31 31 A I H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.945 117.6 43.3 -67.5 -46.1 -6.7 -7.8 -3.2 32 32 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.892 114.0 51.4 -64.8 -39.1 -4.6 -4.8 -2.0 33 33 A G H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.890 109.4 50.9 -65.3 -41.2 -5.6 -5.4 1.6 34 34 A F H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.929 108.9 50.1 -57.5 -52.7 -4.7 -9.0 1.2 35 35 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.915 111.6 49.7 -52.0 -45.5 -1.2 -8.1 -0.2 36 36 A F H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 112.5 46.1 -63.0 -43.1 -0.7 -5.7 2.8 37 37 A E H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.844 111.9 52.0 -67.4 -34.5 -1.8 -8.4 5.3 38 38 A Y H X>S+ 0 0 41 -4,-2.9 4,-2.6 2,-0.2 5,-2.3 0.928 110.2 48.4 -63.6 -44.7 0.5 -10.9 3.5 39 39 A F H <>S+ 0 0 0 -4,-2.9 5,-3.2 3,-0.2 -2,-0.2 0.937 116.8 44.7 -57.0 -45.5 3.4 -8.4 3.8 40 40 A A H <5S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 125.9 26.6 -65.0 -39.7 2.6 -7.9 7.5 41 41 A N H <5S+ 0 0 71 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.611 134.7 14.6-109.3 -21.2 2.1 -11.5 8.5 42 42 A S T <5S+ 0 0 45 -4,-2.6 3,-0.3 -5,-0.2 -3,-0.2 0.674 124.7 36.0-122.5 -55.0 4.1 -13.6 6.1 43 43 A Q T S+ 0 0 109 -3,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.786 72.3 56.6 -65.8 -30.9 6.6 -10.6 9.7 46 46 A D G 3 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.513 105.3 53.6 -77.1 -4.8 10.1 -10.5 11.3 47 47 A S G X> S+ 0 0 8 -3,-1.3 3,-2.4 1,-0.1 4,-1.1 0.189 71.0 117.2-110.3 9.8 10.2 -6.7 10.6 48 48 A S T <4 + 0 0 57 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.768 66.3 64.7 -62.9 -24.3 6.9 -5.9 12.4 49 49 A D T 34 S+ 0 0 121 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.775 113.3 34.7 -55.6 -27.4 8.6 -3.7 15.0 50 50 A H T <4 S+ 0 0 65 -3,-2.4 35,-2.2 33,-0.2 34,-1.3 0.577 113.9 50.2-111.7 -16.0 9.5 -1.3 12.2 51 51 A V E < -b 85 0B 5 -4,-1.1 2,-0.4 33,-0.2 35,-0.2 -0.956 48.9-169.1-134.7 146.0 6.8 -1.3 9.7 52 52 A S E -b 86 0B 11 33,-1.7 35,-2.6 -2,-0.3 2,-0.6 -0.998 8.7-160.2-128.0 136.4 3.0 -0.9 9.5 53 53 A F E -b 87 0B 27 -2,-0.4 2,-0.2 33,-0.2 35,-0.2 -0.958 22.2-145.8-112.1 109.0 0.8 -1.6 6.5 54 54 A I E -b 88 0B 2 33,-2.7 35,-0.5 -2,-0.6 -18,-0.1 -0.525 23.9-109.0 -75.7 135.5 -2.4 0.3 7.1 55 55 A S > - 0 0 44 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.246 19.3-123.7 -60.4 150.7 -5.5 -1.5 5.7 56 56 A P H > S+ 0 0 9 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.861 113.4 56.8 -59.2 -33.9 -7.1 0.2 2.7 57 57 A E H > S+ 0 0 146 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.910 109.4 42.8 -61.9 -48.8 -10.4 0.3 4.7 58 58 A V H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 115.4 50.6 -64.8 -41.2 -8.8 2.3 7.5 59 59 A T H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.922 110.4 48.2 -62.5 -46.2 -6.9 4.5 5.0 60 60 A Q H X S+ 0 0 69 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.890 109.8 53.6 -63.5 -36.3 -10.2 5.2 3.1 61 61 A F H < S+ 0 0 65 -4,-1.9 4,-0.4 2,-0.2 3,-0.3 0.943 109.7 47.4 -62.9 -47.6 -11.9 6.0 6.4 62 62 A I H >< S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.913 108.1 56.2 -59.1 -43.0 -9.1 8.5 7.3 63 63 A K H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.9 44.6 -52.6 -40.1 -9.5 10.0 3.8 64 64 A C T 3< S+ 0 0 83 -4,-1.7 2,-0.4 -3,-0.3 -1,-0.2 0.324 108.1 60.9 -96.2 2.9 -13.2 10.5 4.5 65 65 A T < - 0 0 22 -3,-1.3 -1,-0.0 -4,-0.4 0, 0.0 -0.998 40.7-178.8-129.8 143.4 -13.0 12.0 8.1 66 66 A S + 0 0 104 -2,-0.4 -1,-0.1 5,-0.0 -4,-0.1 0.298 55.9 113.1-110.3 5.2 -11.5 15.1 9.6 67 67 A N >> - 0 0 74 1,-0.2 4,-2.1 2,-0.0 3,-0.8 -0.696 62.7-148.5 -71.3 113.6 -12.7 14.2 13.1 68 68 A P H 3> S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.802 94.5 56.4 -60.2 -31.1 -9.3 13.6 14.9 69 69 A A H 3> S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -2,-0.0 0.856 108.9 46.4 -66.2 -35.8 -10.8 11.0 17.2 70 70 A E H <> S+ 0 0 69 -3,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.877 111.7 50.8 -75.7 -34.9 -12.1 9.0 14.2 71 71 A I H < S+ 0 0 11 -4,-2.1 4,-0.5 1,-0.2 3,-0.2 0.909 116.2 43.8 -63.6 -39.4 -8.7 9.3 12.5 72 72 A A H >X S+ 0 0 23 -4,-2.2 4,-2.7 -5,-0.2 3,-0.7 0.799 93.9 80.3 -71.6 -32.7 -7.1 8.0 15.7 73 73 A M H 3< S+ 0 0 100 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.851 102.3 30.5 -59.6 -43.4 -9.5 5.2 16.5 74 74 A F T 3< S+ 0 0 90 -4,-0.7 -1,-0.3 -3,-0.2 4,-0.2 0.638 121.5 52.7 -85.9 -15.2 -8.1 2.5 14.2 75 75 A L T X4>S+ 0 0 1 -3,-0.7 3,-1.3 -4,-0.5 5,-0.6 0.747 89.5 77.7 -86.8 -31.3 -4.5 3.8 14.3 76 76 A E G ><5S+ 0 0 129 -4,-2.7 3,-1.2 1,-0.2 -2,-0.1 0.888 91.9 49.7 -49.2 -48.8 -4.1 3.9 18.1 77 77 A P G 3 5S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.735 97.8 73.2 -67.1 -16.3 -3.6 0.1 18.6 78 78 A L G < 5S- 0 0 67 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.595 92.8-134.6 -74.7 -10.6 -0.9 -0.0 15.9 79 79 A D T X 5 + 0 0 84 -3,-1.2 3,-1.8 -4,-0.4 -3,-0.1 0.907 40.0 167.7 48.7 49.9 1.9 1.7 17.9 80 80 A L G > < + 0 0 0 -5,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.806 64.1 68.4 -63.7 -31.4 2.6 3.9 14.8 81 81 A P G 3 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 104.0 47.8 -61.2 -15.3 4.8 6.4 16.8 82 82 A N G < S+ 0 0 100 -3,-1.8 2,-0.4 -4,-0.1 -2,-0.2 0.180 91.0 96.8-112.1 19.1 7.3 3.4 17.1 83 83 A K < - 0 0 28 -3,-1.9 -33,-0.2 1,-0.1 -32,-0.2 -0.845 59.4-153.2-106.4 142.0 7.3 2.3 13.5 84 84 A R S S+ 0 0 119 -34,-1.3 26,-2.6 -2,-0.4 27,-0.5 0.841 82.7 24.7 -79.3 -32.3 10.0 3.4 11.1 85 85 A V E -bC 51 109B 2 -35,-2.2 -33,-1.7 24,-0.2 2,-0.4 -0.989 62.2-171.5-140.4 137.7 7.9 3.0 8.0 86 86 A V E -bC 52 108B 0 22,-1.9 22,-2.2 -2,-0.4 2,-0.4 -0.999 9.3-158.8-133.2 129.4 4.1 3.2 7.4 87 87 A F E -bC 53 107B 0 -35,-2.6 -33,-2.7 -2,-0.4 2,-0.4 -0.905 8.4-176.2-115.6 140.1 2.5 2.3 4.1 88 88 A L E -bC 54 106B 1 18,-2.3 18,-2.9 -2,-0.4 2,-0.8 -0.991 21.8-141.2-138.4 122.3 -1.0 3.4 3.0 89 89 A A E - C 0 105B 1 -35,-0.5 2,-0.4 -2,-0.4 16,-0.2 -0.796 24.3-157.3 -79.9 104.9 -2.9 2.4 -0.2 90 90 A I E - C 0 104B 3 14,-2.1 14,-2.2 -2,-0.8 2,-0.4 -0.666 11.9-171.6 -86.1 130.6 -4.7 5.6 -1.3 91 91 A N E + C 0 103B 20 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.939 11.5 170.1-125.9 150.1 -7.7 5.2 -3.5 92 92 A D E - C 0 102B 17 10,-1.8 10,-2.7 -2,-0.4 -2,-0.0 -0.966 24.0-157.6-155.7 147.6 -10.0 7.5 -5.4 93 93 A N > + 0 0 96 -2,-0.3 3,-0.8 8,-0.2 2,-0.1 0.286 48.9 128.1-106.6 5.1 -12.7 7.1 -8.0 94 94 A S T 3 S+ 0 0 62 1,-0.2 8,-0.1 8,-0.1 3,-0.1 -0.448 79.4 7.2 -64.0 132.9 -12.6 10.6 -9.7 95 95 A N T 3 S+ 0 0 158 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.902 81.6 146.1 65.0 45.7 -12.4 10.5 -13.4 96 96 A Q < - 0 0 45 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.0 -0.678 24.9-175.6-115.6 76.1 -12.8 6.8 -13.8 97 97 A A 0 0 94 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.756 360.0 360.0 -37.2 -46.6 -14.7 6.4 -17.2 98 98 A A 0 0 78 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.981 360.0 360.0-120.9 360.0 -15.0 2.6 -16.9 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 100 A G 0 0 36 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 143.2 -12.0 1.7 -12.6 101 101 A S - 0 0 24 -74,-0.1 2,-0.5 -6,-0.1 -8,-0.2 -0.981 360.0-126.7-146.8 128.0 -10.7 2.9 -9.2 102 102 A H E -C 92 0B 4 -10,-2.7 -10,-1.8 -2,-0.3 2,-0.3 -0.750 22.7-170.1 -95.0 127.5 -7.3 4.6 -8.8 103 103 A W E +C 91 0B 9 -2,-0.5 17,-0.4 -12,-0.2 2,-0.3 -0.798 10.9 165.2-111.6 137.3 -4.7 3.3 -6.3 104 104 A S E -C 90 0B 0 -14,-2.2 -14,-2.1 -2,-0.3 2,-0.5 -0.898 31.6-111.5-145.3 174.3 -1.5 5.0 -5.3 105 105 A L E -CD 89 118B 0 13,-2.6 13,-3.2 -2,-0.3 2,-0.5 -0.942 17.9-166.7-121.6 127.0 0.9 4.6 -2.4 106 106 A L E -CD 88 117B 0 -18,-2.9 -18,-2.3 -2,-0.5 2,-0.4 -0.941 11.2-170.0-108.8 129.6 1.6 6.9 0.5 107 107 A V E -CD 87 116B 0 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.977 6.8-162.5-123.4 127.9 4.8 6.2 2.6 108 108 A Y E -CD 86 115B 1 -22,-2.2 -22,-1.9 -2,-0.4 2,-0.5 -0.954 3.5-163.0-106.0 134.3 5.7 7.8 5.9 109 109 A L E > -CD 85 114B 14 5,-2.9 5,-1.6 -2,-0.4 3,-0.5 -0.970 9.1-159.3-117.0 119.5 9.2 7.6 7.2 110 110 A Q T > 5S+ 0 0 67 -26,-2.6 3,-2.0 -2,-0.5 -1,-0.1 0.895 83.3 75.3 -63.3 -37.2 9.7 8.4 10.8 111 111 A D T 3 5S+ 0 0 101 -27,-0.5 -1,-0.2 1,-0.3 -26,-0.1 0.831 119.2 10.7 -51.4 -42.1 13.4 9.2 10.3 112 112 A K T 3 5S- 0 0 64 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.029 100.2-118.7-120.2 28.7 12.7 12.5 8.7 113 113 A N T < 5 + 0 0 38 -3,-2.0 35,-0.5 -4,-0.2 2,-0.3 0.860 68.9 142.9 39.2 46.1 9.0 12.8 9.5 114 114 A S E 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S T < S+ 0 0 44 -3,-2.4 3,-0.3 1,-0.2 -2,-0.1 0.919 84.9 25.9 -50.8 -51.0 -3.7 11.7 -10.0 125 125 A N T 3> S+ 0 0 1 -4,-0.4 4,-2.8 1,-0.2 3,-0.4 0.321 88.6 114.0 -96.5 9.2 -4.2 11.0 -6.3 126 126 A S H <> S+ 0 0 9 -3,-0.8 4,-2.2 1,-0.3 5,-0.2 0.839 73.5 52.6 -53.9 -44.1 -1.9 13.8 -5.0 127 127 A V H > S+ 0 0 107 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.3 0.935 115.8 39.9 -56.2 -46.5 -4.8 15.8 -3.4 128 128 A H H > S+ 0 0 30 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.871 112.5 53.7 -76.2 -39.6 -6.0 12.8 -1.4 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.900 111.2 48.1 -60.5 -40.2 -2.6 11.4 -0.5 130 130 A K H X S+ 0 0 89 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.909 109.7 50.3 -69.7 -40.9 -1.6 14.9 0.9 131 131 A Q H X S+ 0 0 46 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.908 114.0 45.5 -66.6 -35.5 -4.8 15.3 3.0 132 132 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.934 110.3 55.0 -67.2 -45.9 -4.3 11.8 4.5 133 133 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.935 107.3 50.2 -49.9 -49.6 -0.6 12.6 5.1 134 134 A E H X S+ 0 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-35,-0.3 -36,-0.0 -0.589 33.1 -73.1-111.5 155.4 7.4 7.0 -9.5 155 155 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.258 53.7-134.5 -46.0 133.7 7.0 4.0 -11.8 156 156 A A - 0 0 73 34,-0.2 -35,-0.2 31,-0.1 2,-0.1 -0.828 12.3-126.9-103.4 130.3 4.6 4.9 -14.6 157 157 A Q - 0 0 36 -37,-2.5 3,-0.1 -2,-0.4 34,-0.0 -0.463 8.9-158.6 -82.3 149.4 1.8 2.6 -15.6 158 158 A Q S S+ 0 0 146 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.592 78.7 40.0-101.4 -23.0 1.4 1.6 -19.2 159 159 A N S > S- 0 0 29 1,-0.1 3,-1.4 33,-0.0 4,-0.2 -0.989 79.6-121.8-131.2 154.4 -2.2 0.6 -18.8 160 160 A S G > S+ 0 0 64 -2,-0.4 3,-0.6 1,-0.2 -1,-0.1 0.765 107.4 52.3 -51.8 -36.5 -5.2 2.0 -16.9 161 161 A Y G 3 S+ 0 0 51 1,-0.2 -134,-0.7 2,-0.1 3,-0.4 0.504 89.8 73.1 -87.7 -8.1 -5.7 -1.2 -14.9 162 162 A D G X> + 0 0 0 -3,-1.4 4,-1.9 1,-0.2 3,-1.0 0.476 63.7 101.9 -89.2 -0.2 -2.3 -1.9 -13.4 163 163 A C H <> S+ 0 0 0 -3,-0.6 4,-1.8 1,-0.3 -1,-0.2 0.869 79.7 51.7 -52.6 -42.0 -2.3 0.9 -10.8 164 164 A G H 3> S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.840 108.1 53.3 -66.4 -30.0 -3.1 -1.5 -7.9 165 165 A M H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 5,-0.3 0.854 104.3 54.9 -73.5 -36.6 -0.2 -3.6 -8.9 166 166 A Y H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.891 107.7 50.8 -59.6 -41.9 2.1 -0.7 -8.8 167 167 A V H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.912 113.6 43.3 -57.8 -49.7 1.1 0.0 -5.2 168 168 A I H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.911 117.4 45.4 -66.5 -42.3 1.7 -3.5 -4.1 169 169 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.839 111.6 50.9 -77.5 -30.4 5.0 -3.8 -6.0 170 170 A N H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.908 112.3 49.2 -68.9 -38.6 6.3 -0.5 -4.8 171 171 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.957 113.7 44.6 -62.1 -52.2 5.4 -1.5 -1.3 172 172 A E H X S+ 0 0 22 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 115.3 47.4 -57.9 -47.8 7.2 -4.9 -1.6 173 173 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 11,-0.2 0.869 110.6 51.1 -65.7 -38.9 10.3 -3.4 -3.3 174 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 110.1 51.5 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-1.9 -6.3 185 185 A S > - 0 0 11 -2,-0.5 4,-2.2 1,-0.1 336,-0.2 -0.725 10.5-138.1 -77.5 134.9 15.6 1.5 -7.8 186 186 A L H > S+ 0 0 4 334,-1.7 4,-2.9 -2,-0.4 -1,-0.1 0.909 103.1 53.9 -56.1 -46.2 11.8 1.5 -8.1 187 187 A L H 4 S+ 0 0 104 333,-0.4 -1,-0.2 1,-0.2 -31,-0.1 0.857 112.3 43.5 -60.3 -40.3 12.1 3.2 -11.5 188 188 A Q H 4 S+ 0 0 117 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.847 121.0 40.2 -66.0 -41.5 14.5 0.5 -12.9 189 189 A L H < S+ 0 0 37 -4,-2.2 2,-1.8 1,-0.2 -2,-0.2 0.898 97.9 70.5 -83.6 -44.2 12.5 -2.4 -11.4 190 190 A L < + 0 0 6 -4,-2.9 -34,-0.2 -5,-0.2 -1,-0.2 -0.545 62.2 149.6 -86.4 79.0 8.8 -1.6 -11.9 191 191 A T > - 0 0 61 -2,-1.8 4,-2.7 -3,-0.1 5,-0.2 -0.636 64.4-101.6 -93.3 160.4 8.4 -2.0 -15.7 192 192 A P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.912 125.2 51.6 -45.2 -49.0 5.1 -3.1 -17.3 193 193 A A H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.891 109.9 47.7 -55.7 -45.6 6.7 -6.6 -17.8 194 194 A Y H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 113.2 48.6 -63.1 -45.7 7.7 -6.8 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0.901 94.3 65.9 -66.5 -45.0 34.7 3.1 26.9 820 190 D L < + 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -20,-0.0 -0.534 67.3 156.0 -86.4 76.2 34.8 6.9 26.4 821 191 D T > - 0 0 50 -2,-1.7 4,-2.5 -3,-0.1 5,-0.2 -0.464 60.8-101.2 -91.1 170.1 34.0 7.3 22.7 822 192 D P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.882 127.0 52.1 -57.0 -36.6 32.5 10.5 21.3 823 193 D A H > S+ 0 0 42 -392,-0.3 4,-2.1 2,-0.2 5,-0.2 0.875 109.2 49.6 -64.4 -39.2 29.1 8.7 21.4 824 194 D Y H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 112.0 47.1 -64.8 -46.6 29.6 7.8 25.0 825 195 D I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.915 110.7 53.1 -62.4 -45.9 30.5 11.4 25.9 826 196 D T H X S+ 0 0 40 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.890 110.4 47.0 -52.1 -45.7 27.5 12.7 23.9 827 197 D K H X S+ 0 0 136 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.905 110.6 52.9 -69.5 -39.5 25.2 10.4 25.9 828 198 D K H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.808 99.3 62.2 -65.1 -32.0 26.8 11.5 29.2 829 199 D R H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 108.5 43.8 -54.8 -43.8 26.2 15.2 28.4 830 200 D G H X S+ 0 0 29 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.810 109.9 56.5 -76.0 -30.3 22.5 14.5 28.4 831 201 D E H X S+ 0 0 81 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.874 107.9 46.7 -68.5 -39.1 22.8 12.3 31.5 832 202 D W H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.840 111.3 53.4 -67.3 -36.1 24.4 15.2 33.4 833 203 D K H X S+ 0 0 59 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.919 109.6 47.9 -59.6 -46.5 21.6 17.5 32.0 834 204 D D H X S+ 0 0 104 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.918 110.1 51.9 -66.1 -42.0 19.0 15.1 33.4 835 205 D L H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.918 110.1 48.7 -55.5 -48.3 20.7 14.9 36.8 836 206 D I H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.895 112.8 48.1 -59.0 -42.8 20.7 18.7 37.0 837 207 D A H X S+ 0 0 41 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.867 111.3 51.1 -67.5 -37.5 17.0 18.8 36.1 838 208 D T H < S+ 0 0 94 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.933 113.1 43.9 -61.2 -49.6 16.3 16.1 38.6 839 209 D L H < S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.777 109.1 58.4 -67.9 -30.7 18.1 17.9 41.5 840 210 D A H < 0 0 48 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.753 360.0 360.0 -70.9 -27.5 16.5 21.3 40.5 841 211 D K < 0 0 197 -4,-1.0 -3,-0.0 -3,-0.4 -205,-0.0 -0.386 360.0 360.0 -65.8 360.0 13.0 19.9 40.9