==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-09 3HDI . COMPND 2 MOLECULE: PROCESSING PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS C-125; . AUTHOR A.ALESHIN,S.GRAMATIKOVA,A.Y.STRONGIN,B.STEC,R.C.LIDDINGTON, . 859 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 13.3 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 44 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 3 0 3 2 3 6 0 2 4 0 1 0 3 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 5 0 0 2 4 0 4 2 2 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 2 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 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 2 A I 0 0 89 0, 0.0 14,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 100.6 2.2 -4.7 -5.3 2 3 A N E -A 14 0A 118 12,-1.1 12,-2.4 11,-0.0 2,-0.3 -0.404 360.0-163.5 -76.2 154.2 -0.2 -4.0 -8.2 3 4 A T E -A 13 0A 42 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.949 5.2-172.5-135.5 155.3 -2.9 -6.5 -9.2 4 5 A M E -A 12 0A 59 8,-0.8 8,-3.2 -2,-0.3 2,-0.6 -0.966 12.3-158.2-154.9 132.2 -4.9 -6.7 -12.4 5 6 A T E -A 11 0A 94 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.956 15.8-154.9-116.5 116.7 -7.8 -8.8 -13.5 6 7 A L > - 0 0 18 4,-3.0 3,-0.7 -2,-0.6 198,-0.0 -0.151 35.2 -96.3 -76.6 179.6 -8.3 -9.2 -17.3 7 8 A D T 3 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.1 197,-0.1 0.756 122.0 55.3 -73.8 -23.2 -11.7 -9.9 -18.9 8 9 A N T 3 S- 0 0 15 195,-0.1 201,-0.7 200,-0.1 -1,-0.2 0.602 123.2-101.3 -83.2 -10.7 -11.1 -13.7 -19.2 9 10 A G S < S+ 0 0 15 -3,-0.7 -2,-0.1 1,-0.4 195,-0.1 0.090 75.9 140.7 113.9 -23.1 -10.4 -13.9 -15.4 10 11 A V - 0 0 0 193,-0.2 -4,-3.0 196,-0.2 2,-0.4 -0.197 40.2-145.5 -53.8 143.0 -6.6 -14.0 -15.7 11 12 A R E -Ab 5 184A 23 172,-1.7 174,-3.6 -6,-0.2 2,-0.6 -0.946 9.9-159.5-120.1 134.8 -4.8 -12.0 -13.0 12 13 A I E -Ab 4 185A 2 -8,-3.2 -8,-0.8 -2,-0.4 2,-0.5 -0.948 11.3-175.0-112.6 114.9 -1.6 -10.1 -13.3 13 14 A I E -Ab 3 186A 1 172,-3.2 174,-2.4 -2,-0.6 2,-0.3 -0.950 10.6-178.8-113.1 123.1 0.1 -9.4 -10.0 14 15 A T E -Ab 2 187A 12 -12,-2.4 -12,-1.1 -2,-0.5 2,-0.3 -0.874 19.4-174.7-124.2 156.1 3.2 -7.2 -10.1 15 16 A E E - b 0 188A 32 172,-1.8 174,-1.9 -2,-0.3 2,-0.3 -0.895 16.6-149.4-148.6 113.8 5.8 -5.8 -7.7 16 17 A K E - b 0 189A 100 -2,-0.3 2,-0.4 172,-0.2 174,-0.2 -0.661 12.5-176.6 -88.8 138.8 8.6 -3.4 -8.9 17 18 A M > - 0 0 8 172,-3.6 3,-0.5 -2,-0.3 -2,-0.0 -0.956 10.9-174.1-135.3 112.5 12.0 -3.3 -7.2 18 19 A S T 3 S+ 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 172,-0.1 0.851 80.7 70.9 -75.6 -33.3 14.5 -0.7 -8.3 19 20 A T T 3 S+ 0 0 70 415,-0.1 -1,-0.2 170,-0.1 2,-0.1 0.742 97.0 62.3 -54.5 -25.5 17.3 -2.1 -6.2 20 21 A V < - 0 0 8 -3,-0.5 -3,-0.0 2,-0.1 327,-0.0 -0.449 59.8-159.1-100.5 174.5 17.5 -5.2 -8.5 21 22 A R S S+ 0 0 140 -2,-0.1 70,-2.8 736,-0.1 71,-0.2 0.279 74.1 74.4-128.5 -0.4 18.3 -5.7 -12.1 22 23 A S E -C 90 0A 0 68,-0.3 168,-2.9 69,-0.1 2,-0.3 -0.372 62.5-151.5-104.8-175.5 16.6 -9.0 -12.5 23 24 A V E -CD 89 189A 1 66,-1.4 66,-1.8 166,-0.2 2,-0.4 -0.889 6.4-144.8-165.0 128.5 13.0 -10.2 -12.7 24 25 A S E -CD 88 188A 0 164,-2.4 164,-1.9 -2,-0.3 2,-0.4 -0.819 16.0-165.3 -98.2 133.8 11.2 -13.3 -11.7 25 26 A I E -CD 87 187A 0 62,-3.1 62,-2.2 -2,-0.4 2,-0.4 -0.953 8.3-179.9-119.9 138.3 8.3 -14.4 -13.8 26 27 A G E -CD 86 186A 0 160,-1.9 160,-2.5 -2,-0.4 2,-0.7 -0.999 22.0-159.7-143.4 136.8 5.8 -17.0 -12.8 27 28 A I E -CD 85 185A 4 58,-2.7 58,-1.4 -2,-0.4 2,-0.6 -0.933 22.1-168.3-113.8 99.9 2.7 -18.6 -14.4 28 29 A W E -CD 84 184A 1 156,-3.0 156,-2.4 -2,-0.7 2,-0.5 -0.840 3.4-168.0 -96.6 119.2 0.7 -19.9 -11.5 29 30 A V E -CD 83 183A 0 54,-2.1 54,-2.5 -2,-0.6 2,-1.5 -0.916 22.8-132.2-108.5 129.5 -2.1 -22.2 -12.4 30 31 A G S S+ 0 0 7 152,-2.2 2,-0.3 -2,-0.5 52,-0.1 -0.049 73.0 91.1 -72.7 37.8 -4.7 -23.1 -9.7 31 32 A T + 0 0 0 -2,-1.5 48,-0.3 151,-0.1 2,-0.3 -0.946 40.6 147.5-133.0 156.0 -4.7 -26.8 -10.3 32 33 A G > - 0 0 0 48,-0.3 3,-1.6 -2,-0.3 4,-0.4 -0.900 64.4 -54.7-162.3-170.4 -2.9 -29.8 -8.9 33 34 A S G > S+ 0 0 0 46,-1.5 3,-0.7 1,-0.3 47,-0.2 0.699 124.3 66.3 -54.2 -20.5 -3.1 -33.5 -8.0 34 35 A R G 3 S+ 0 0 3 46,-2.5 -1,-0.3 1,-0.2 116,-0.2 0.886 97.8 51.0 -70.0 -37.4 -6.0 -32.7 -5.8 35 36 A Y G < S+ 0 0 20 -3,-1.6 -1,-0.2 45,-0.5 -2,-0.2 0.459 93.7 97.6 -80.4 -0.9 -8.2 -31.7 -8.8 36 37 A E < - 0 0 9 -3,-0.7 2,-0.3 -4,-0.4 5,-0.1 -0.366 67.4-132.4 -84.6 167.1 -7.5 -35.0 -10.6 37 38 A S >> - 0 0 38 -2,-0.1 3,-2.0 1,-0.1 4,-0.6 -0.911 35.9 -89.9-120.8 149.3 -9.7 -38.0 -10.7 38 39 A A G >4 S+ 0 0 56 -2,-0.3 3,-1.5 1,-0.3 123,-0.1 0.713 125.9 41.3 -16.9 -70.8 -8.7 -41.7 -10.1 39 40 A E G 34 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.0 125,-0.1 0.809 117.3 46.5 -57.2 -36.4 -8.0 -42.4 -13.8 40 41 A E G X4 S+ 0 0 15 -3,-2.0 3,-2.2 2,-0.1 4,-0.3 0.205 76.4 144.3 -96.3 18.3 -6.2 -39.1 -14.5 41 42 A N T << S+ 0 0 7 -3,-1.5 117,-0.6 -4,-0.6 121,-0.1 -0.366 71.1 23.1 -60.2 123.8 -3.9 -39.0 -11.4 42 43 A G T 3> S+ 0 0 0 115,-0.2 4,-2.5 -2,-0.2 -1,-0.3 0.272 87.8 115.6 103.1 -8.3 -0.6 -37.5 -12.3 43 44 A I H <> S+ 0 0 0 -3,-2.2 4,-2.7 2,-0.2 5,-0.2 0.863 73.2 53.9 -59.9 -40.0 -2.0 -35.7 -15.3 44 45 A S H > S+ 0 0 0 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.932 113.3 42.0 -61.0 -49.3 -1.2 -32.3 -13.6 45 46 A H H > S+ 0 0 1 110,-0.5 4,-1.1 2,-0.2 -2,-0.2 0.826 113.8 51.9 -69.4 -33.1 2.4 -33.2 -13.2 46 47 A F H >X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 3,-0.6 0.937 107.5 52.6 -68.3 -44.4 2.7 -34.8 -16.6 47 48 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.871 105.5 55.8 -56.4 -38.9 1.3 -31.7 -18.2 48 49 A E H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.798 112.2 41.8 -64.8 -33.2 3.9 -29.7 -16.4 49 50 A H H X< S+ 0 0 4 -4,-1.1 3,-2.2 -3,-0.6 -2,-0.2 0.922 110.6 56.1 -79.0 -47.4 6.7 -31.8 -17.9 50 51 A M H >< S+ 0 0 1 -4,-3.2 3,-1.5 1,-0.3 4,-0.3 0.695 91.3 74.3 -56.5 -21.8 5.1 -31.8 -21.4 51 52 A F T 3< S+ 0 0 4 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.567 98.3 47.3 -69.8 -8.4 5.1 -28.0 -21.4 52 53 A F T < S+ 0 0 19 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.306 89.0 85.5-112.9 4.3 8.8 -28.2 -22.0 53 54 A K S < S- 0 0 2 -3,-1.5 7,-1.0 1,-0.2 8,-0.2 0.589 101.5 -66.9 -85.0 -9.9 8.7 -30.8 -24.8 54 55 A G B -F 59 0B 2 5,-0.3 55,-3.3 -4,-0.3 5,-0.3 -0.270 35.1-137.4 133.6 141.7 8.1 -28.3 -27.6 55 56 A T B -G 108 0C 9 3,-3.9 53,-0.2 53,-0.3 49,-0.1 -0.472 48.7 -86.5-111.5-174.7 5.8 -25.8 -29.4 56 57 A N S S+ 0 0 129 51,-1.3 3,-0.1 47,-0.2 52,-0.1 0.718 128.6 22.5 -68.9 -20.2 5.0 -25.2 -33.0 57 58 A T S S+ 0 0 101 1,-0.2 2,-0.4 50,-0.2 -1,-0.2 0.480 122.3 53.6-124.0 -9.2 8.1 -22.9 -33.4 58 59 A R S S- 0 0 62 45,-0.1 -3,-3.9 42,-0.1 -1,-0.2 -0.992 70.7-150.2-130.3 124.2 10.4 -24.0 -30.5 59 60 A S B > -F 54 0B 48 -2,-0.4 4,-2.7 -5,-0.3 -5,-0.3 -0.393 37.2 -94.9 -87.0 170.1 11.5 -27.6 -30.1 60 61 A A H > S+ 0 0 6 -7,-1.0 4,-2.1 1,-0.2 -6,-0.2 0.935 128.3 44.7 -46.9 -53.6 12.3 -29.2 -26.7 61 62 A Q H > S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.831 110.3 52.8 -62.5 -36.2 16.0 -28.4 -27.3 62 63 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 107.7 52.4 -68.7 -35.2 15.4 -24.9 -28.5 63 64 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.963 112.2 46.7 -61.4 -49.9 13.4 -24.2 -25.4 64 65 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 616,-0.4 0.913 110.3 51.6 -57.8 -49.1 16.4 -25.5 -23.4 65 66 A E H X S+ 0 0 51 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.882 108.9 51.9 -58.1 -41.0 18.9 -23.5 -25.3 66 67 A F H < S+ 0 0 30 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.978 110.6 44.3 -59.8 -61.4 17.0 -20.3 -24.8 67 68 A F H <>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-0.3 0.700 112.2 55.4 -58.7 -22.1 16.6 -20.5 -21.0 68 69 A D H ><5S+ 0 0 4 -4,-1.4 3,-1.5 -5,-0.2 -1,-0.2 0.887 100.6 57.5 -78.6 -37.7 20.3 -21.6 -20.7 69 70 A S T 3<5S+ 0 0 29 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.549 106.5 51.7 -68.3 -8.0 21.5 -18.5 -22.6 70 71 A I T 3 5S- 0 0 7 -4,-0.5 3,-0.3 -3,-0.3 -1,-0.3 -0.020 137.4 -73.2-118.1 28.5 19.8 -16.3 -19.9 71 72 A G T < 5 - 0 0 6 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 -0.047 58.7-106.8 108.4 -33.5 21.3 -17.9 -16.8 72 73 A G S > -C 22 0A 20 -2,-0.3 3,-2.2 -68,-0.2 4,-0.5 -0.586 47.9-103.8 -80.9 140.8 18.0 -10.0 -16.4 91 92 A D G >4 S+ 0 0 41 -70,-2.8 3,-1.2 1,-0.3 4,-0.4 0.739 118.2 62.1 -27.6 -48.7 15.8 -7.0 -17.2 92 93 A D G 34 S+ 0 0 96 1,-0.2 -1,-0.3 -71,-0.2 4,-0.1 0.223 109.0 40.2 -72.9 16.6 17.0 -6.9 -20.8 93 94 A H G <> S+ 0 0 47 -3,-2.2 4,-2.8 2,-0.1 -1,-0.2 0.351 80.7 99.8-141.0 -2.6 15.6 -10.4 -21.5 94 95 A A H S+ 0 0 23 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.955 111.9 42.9 -50.9 -55.6 10.4 -9.7 -22.9 96 97 A Q H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 112.6 53.7 -58.4 -42.1 11.9 -12.7 -24.6 97 98 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.936 109.7 47.9 -60.1 -46.0 11.4 -14.8 -21.5 98 99 A I H X S+ 0 0 4 -4,-3.2 4,-3.2 1,-0.2 -2,-0.2 0.910 110.8 52.2 -61.1 -42.1 7.7 -13.9 -21.5 99 100 A D H X S+ 0 0 59 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.909 114.3 42.4 -61.7 -42.0 7.5 -14.8 -25.2 100 101 A T H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.907 116.8 45.9 -71.6 -44.0 9.0 -18.2 -24.7 101 102 A L H X S+ 0 0 7 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.916 115.4 49.5 -64.7 -41.0 7.1 -18.9 -21.5 102 103 A S H X S+ 0 0 8 -4,-3.2 4,-2.6 -5,-0.3 3,-0.4 0.975 109.1 49.2 -61.3 -56.1 3.9 -17.7 -23.3 103 104 A D H X S+ 0 0 10 -4,-2.8 4,-1.1 1,-0.3 -1,-0.2 0.821 110.8 52.2 -54.6 -31.8 4.4 -19.8 -26.4 104 105 A M H < S+ 0 0 5 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.899 111.0 47.7 -70.9 -39.7 5.0 -22.8 -24.3 105 106 A F H < S+ 0 0 11 -4,-1.9 -2,-0.2 -3,-0.4 3,-0.2 0.940 127.7 21.8 -65.6 -50.4 1.8 -22.2 -22.4 106 107 A F H < S+ 0 0 32 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.949 127.0 39.4 -85.0 -56.1 -0.4 -21.6 -25.4 107 108 A H S < S+ 0 0 79 -4,-1.1 -51,-1.3 -5,-0.3 -50,-0.2 -0.014 71.9 148.4 -91.9 31.1 1.2 -23.3 -28.5 108 109 A S B -G 55 0C 4 -4,-0.4 2,-0.7 -53,-0.2 -53,-0.3 -0.376 39.3-143.9 -68.3 146.1 2.7 -26.5 -27.1 109 110 A T - 0 0 34 -55,-3.3 2,-3.8 -59,-0.1 -1,-0.1 -0.797 5.7-158.6-110.0 86.1 2.8 -29.4 -29.6 110 111 A F - 0 0 0 -2,-0.7 57,-0.2 57,-0.1 5,-0.1 -0.092 21.7-174.0 -65.2 52.8 2.0 -32.6 -27.6 111 112 A Q > - 0 0 81 -2,-3.8 4,-2.6 -57,-0.2 5,-0.2 -0.137 29.3-134.0 -49.7 133.4 3.7 -34.8 -30.2 112 113 A K H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.847 106.4 58.2 -59.5 -34.8 3.3 -38.5 -29.5 113 114 A E H > S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.972 113.3 37.0 -58.2 -55.3 7.0 -39.0 -30.2 114 115 A E H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.809 117.5 52.6 -66.6 -33.4 8.0 -36.5 -27.5 115 116 A L H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.838 106.2 50.9 -73.7 -36.4 5.2 -37.7 -25.1 116 117 A E H X S+ 0 0 93 -4,-2.6 4,-0.8 -5,-0.2 -1,-0.2 0.875 114.6 48.4 -65.2 -35.8 6.1 -41.4 -25.3 117 118 A K H >X S+ 0 0 43 -4,-1.3 3,-1.5 -5,-0.3 4,-1.1 0.975 110.2 47.3 -66.1 -60.1 9.6 -40.2 -24.5 118 119 A E H 3X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.3 5,-0.2 0.797 101.2 66.6 -56.4 -31.4 8.6 -37.9 -21.6 119 120 A R H 3X S+ 0 0 11 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.870 101.0 50.9 -58.0 -35.7 6.5 -40.7 -20.1 120 121 A K H < S+ 0 0 4 -4,-2.4 3,-0.8 -5,-0.3 7,-0.5 0.803 110.4 55.9 -64.8 -25.3 11.7 -40.6 -5.5 130 131 A D H 3< S+ 0 0 32 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 100.5 55.0 -74.2 -37.0 11.2 -44.2 -4.5 131 132 A D T 3< S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 418,-0.2 0.297 94.6 78.6 -78.8 10.2 14.9 -44.8 -3.8 132 133 A T X> + 0 0 16 -3,-0.8 3,-2.7 1,-0.2 4,-2.3 -0.714 60.0 179.6-118.4 77.7 14.8 -41.8 -1.5 133 134 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.849 79.4 59.0 -46.6 -41.7 13.2 -43.2 1.7 134 135 A D H 34 S+ 0 0 32 1,-0.2 703,-0.3 409,-0.2 4,-0.1 0.576 116.1 36.1 -67.7 -6.5 13.4 -39.9 3.5 135 136 A D H X> S+ 0 0 5 -3,-2.7 3,-1.1 -6,-0.2 4,-0.8 0.780 112.9 50.3-110.1 -48.6 11.3 -38.4 0.8 136 137 A I H 3X S+ 0 0 21 -4,-2.3 4,-2.3 -7,-0.5 3,-0.4 0.812 99.4 70.6 -63.4 -28.1 8.7 -41.0 -0.3 137 138 A V H 3X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.3 0.831 95.4 53.3 -58.3 -33.2 7.9 -41.5 3.4 138 139 A H H <> S+ 0 0 8 -3,-1.1 4,-0.9 2,-0.2 -1,-0.3 0.839 107.1 51.7 -70.3 -35.4 6.2 -38.0 3.3 139 140 A D H >X S+ 0 0 57 -4,-0.8 4,-1.3 -3,-0.4 3,-0.8 0.932 106.1 53.3 -68.0 -44.8 4.1 -39.1 0.4 140 141 A L H 3X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.3 3,-0.4 0.887 100.7 62.6 -57.6 -36.9 2.9 -42.3 2.1 141 142 A L H 3X S+ 0 0 1 -4,-1.4 4,-1.7 1,-0.3 -1,-0.3 0.876 101.8 50.5 -57.9 -35.5 1.8 -40.1 5.0 142 143 A S H < S- 0 0 13 -4,-1.8 3,-2.3 1,-0.2 6,-0.2 0.433 80.4-166.2-111.2 1.1 -6.7 -39.4 3.4 147 148 A G T 3< S+ 0 0 34 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.298 76.3 0.0 54.4-117.2 -7.1 -42.9 2.0 148 149 A K T 3 S+ 0 0 175 -2,-0.1 -1,-0.3 3,-0.1 -110,-0.1 0.411 102.2 114.8 -86.0 -0.2 -8.9 -42.6 -1.4 149 150 A H S X S- 0 0 21 -3,-2.3 3,-1.9 70,-0.1 4,-0.2 -0.292 80.9-112.2 -68.0 157.6 -9.3 -38.8 -1.4 150 151 A S G > S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -114,-0.1 0.706 116.4 67.1 -64.3 -18.1 -7.4 -37.0 -4.1 151 152 A L G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.685 95.6 56.7 -73.7 -17.9 -5.2 -35.5 -1.4 152 153 A G G < S+ 0 0 8 -3,-1.9 -1,-0.2 -6,-0.2 -2,-0.2 0.399 85.0 107.8 -91.9 1.8 -3.8 -39.0 -0.9 153 154 A Y S < S- 0 0 37 -3,-1.1 2,-0.3 -4,-0.2 -120,-0.1 -0.566 77.6-116.8 -81.0 143.0 -2.8 -39.3 -4.5 154 155 A P > - 0 0 53 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 -0.636 20.7-131.5 -77.1 134.7 0.9 -39.1 -5.2 155 156 A I T 3 S+ 0 0 28 -2,-0.3 -110,-0.5 1,-0.3 3,-0.1 0.857 106.5 53.2 -55.4 -37.4 1.7 -36.0 -7.4 156 157 A L T 3 S- 0 0 16 1,-0.2 -1,-0.3 683,-0.1 2,-0.1 0.643 104.1-144.0 -73.0 -14.1 3.7 -38.0 -9.9 157 158 A G < - 0 0 6 -3,-1.5 2,-0.3 4,-0.1 -1,-0.2 -0.456 25.0 -64.7 84.1-159.0 0.8 -40.5 -10.3 158 159 A T > - 0 0 51 -117,-0.6 4,-2.3 -2,-0.1 5,-0.2 -0.833 37.5-109.4-126.0 165.1 1.3 -44.2 -10.8 159 160 A V H > S+ 0 0 70 -2,-0.3 4,-1.5 2,-0.2 5,-0.1 0.862 118.2 53.8 -62.2 -34.2 2.8 -46.3 -13.6 160 161 A E H >> S+ 0 0 145 2,-0.2 3,-1.1 1,-0.1 4,-1.0 1.000 110.4 41.5 -63.0 -68.3 -0.7 -47.4 -14.6 161 162 A T H >> S+ 0 0 18 1,-0.3 3,-2.0 2,-0.2 4,-1.2 0.912 112.7 55.4 -45.5 -53.9 -2.3 -44.0 -14.9 162 163 A L H 3< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.840 103.5 55.8 -49.4 -38.0 0.7 -42.6 -16.7 163 164 A N H << S+ 0 0 98 -4,-1.5 -1,-0.3 -3,-1.1 -2,-0.2 0.727 105.5 52.0 -68.7 -21.3 0.5 -45.4 -19.3 164 165 A S H << S+ 0 0 55 -3,-2.0 -1,-0.2 -4,-1.0 -2,-0.2 0.686 89.0 110.9 -85.6 -20.7 -3.1 -44.4 -20.0 165 166 A F < + 0 0 1 -4,-1.2 2,-0.3 -3,-0.5 -46,-0.1 -0.239 38.2 151.7 -59.8 139.4 -2.0 -40.8 -20.6 166 167 A N > - 0 0 75 1,-0.0 4,-2.4 -50,-0.0 3,-0.3 -0.963 61.8 -83.2-157.8 169.9 -2.1 -39.3 -24.1 167 168 A E H > S+ 0 0 84 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.794 124.6 58.8 -48.2 -31.3 -2.5 -35.9 -25.9 168 169 A G H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.969 107.0 41.9 -65.2 -54.7 -6.3 -36.4 -25.5 169 170 A M H > S+ 0 0 45 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.911 114.9 54.5 -58.8 -42.7 -6.3 -36.6 -21.8 170 171 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.945 112.8 39.3 -56.8 -55.1 -3.8 -33.8 -21.6 171 172 A R H X S+ 0 0 75 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.898 112.8 56.1 -66.8 -37.7 -5.8 -31.3 -23.7 172 173 A H H X S+ 0 0 106 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.874 116.2 38.2 -59.9 -37.7 -9.1 -32.4 -22.1 173 174 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.4 0.917 114.3 53.3 -77.5 -47.7 -7.7 -31.5 -18.7 174 175 A M H X S+ 0 0 23 -4,-3.3 4,-2.0 -5,-0.2 -2,-0.2 0.862 107.0 54.8 -57.1 -36.4 -5.8 -28.5 -19.9 175 176 A D H < S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 112.1 41.6 -65.6 -41.0 -9.0 -27.1 -21.4 176 177 A R H < S+ 0 0 61 -4,-1.0 35,-0.3 -3,-0.3 -2,-0.2 0.947 129.7 23.2 -73.2 -48.1 -11.0 -27.4 -18.1 177 178 A F H < S+ 0 0 1 -4,-2.6 2,-2.0 1,-0.2 -147,-0.2 0.776 103.8 73.4 -94.8 -28.6 -8.3 -26.1 -15.7 178 179 A Y S < S+ 0 0 14 -4,-2.0 29,-0.3 -5,-0.4 2,-0.2 -0.317 84.9 111.8 -84.3 59.6 -5.8 -24.0 -17.6 179 180 A T S >> S- 0 0 9 -2,-2.0 3,-2.6 -3,-0.2 4,-1.3 -0.751 82.8 -72.4-129.4 173.6 -8.4 -21.2 -17.9 180 181 A G T 34 S+ 0 0 0 27,-2.6 3,-0.3 1,-0.3 -169,-0.1 0.711 122.3 46.9 -28.1 -57.7 -9.3 -17.7 -16.7 181 182 A D T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -173,-0.1 -172,-0.1 0.705 118.1 44.2 -67.1 -20.3 -10.2 -18.3 -13.1 182 183 A Y T <4 S+ 0 0 29 -3,-2.6 -152,-2.2 -5,-0.1 2,-0.5 0.642 91.3 91.2-101.5 -16.3 -7.1 -20.4 -12.6 183 184 A V E < + D 0 29A 0 -4,-1.3 -172,-1.7 -3,-0.3 2,-0.4 -0.696 43.4 171.7 -91.3 129.8 -4.3 -18.5 -14.2 184 185 A V E -bD 11 28A 0 -156,-2.4 -156,-3.0 -2,-0.5 2,-0.6 -0.995 17.3-155.0-133.4 126.1 -2.3 -15.9 -12.3 185 186 A I E -bD 12 27A 0 -174,-3.6 -172,-3.2 -2,-0.4 2,-0.5 -0.903 11.8-168.2-104.6 124.1 0.8 -14.2 -13.6 186 187 A S E +bD 13 26A 0 -160,-2.5 -160,-1.9 -2,-0.6 2,-0.4 -0.936 7.6 177.4-114.2 128.1 3.3 -13.0 -11.0 187 188 A V E +bD 14 25A 0 -174,-2.4 -172,-1.8 -2,-0.5 2,-0.3 -0.993 3.9 171.1-130.2 130.0 6.1 -10.6 -11.9 188 189 A A E +bD 15 24A 0 -164,-1.9 -164,-2.4 -2,-0.4 2,-0.4 -0.984 39.5 36.3-137.7 149.6 8.6 -9.2 -9.4 189 190 A G E S-bD 16 23A 0 -174,-1.9 -172,-3.6 -2,-0.3 2,-1.4 -0.934 108.2 -0.9 121.5-141.7 11.8 -7.2 -9.7 190 191 A N S S+ 0 0 19 -168,-2.9 2,-0.3 -2,-0.4 -174,-0.1 -0.567 79.9 169.8 -92.6 70.8 12.9 -4.5 -12.2 191 192 A V - 0 0 5 -2,-1.4 2,-0.4 -176,-0.1 -2,-0.1 -0.666 21.4-158.2 -91.9 138.0 9.7 -4.5 -14.3 192 193 A H >> - 0 0 87 -2,-0.3 4,-1.5 -101,-0.1 3,-0.8 -0.901 29.6-117.7-113.6 140.4 8.9 -1.9 -16.9 193 194 A D H 3> S+ 0 0 100 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.821 111.2 67.0 -43.1 -41.9 5.3 -1.2 -18.1 194 195 A E H 3> S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.942 104.3 42.8 -42.4 -62.9 6.2 -2.3 -21.6 195 196 A L H <> S+ 0 0 16 -3,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.861 112.5 54.0 -52.4 -44.4 6.7 -5.9 -20.3 196 197 A I H X S+ 0 0 21 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.911 110.1 45.9 -60.7 -44.9 3.6 -5.7 -18.2 197 198 A D H X S+ 0 0 93 -4,-3.1 4,-3.4 2,-0.2 5,-0.2 0.865 109.3 56.1 -66.9 -34.9 1.4 -4.7 -21.2 198 199 A K H X S+ 0 0 77 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.945 110.1 45.5 -60.0 -46.2 3.1 -7.4 -23.2 199 200 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.931 113.4 50.2 -60.5 -47.5 1.9 -9.8 -20.5 200 201 A K H < S+ 0 0 85 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.962 112.8 45.8 -54.1 -57.8 -1.5 -8.2 -20.6 201 202 A E H >< S+ 0 0 140 -4,-3.4 3,-0.7 1,-0.2 4,-0.3 0.879 116.6 45.0 -52.8 -47.0 -1.8 -8.5 -24.4 202 203 A T H >< S+ 0 0 28 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.924 109.8 50.5 -67.7 -49.8 -0.6 -12.1 -24.5 203 204 A F T 3< S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.261 87.4 83.4 -79.3 15.9 -2.6 -13.6 -21.6 204 205 A S T < S+ 0 0 58 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.780 77.2 72.4 -81.9 -29.6 -5.8 -12.2 -23.0 205 206 A Q S < S+ 0 0 113 -3,-1.4 -1,-0.2 -4,-0.3 2,-0.2 0.691 70.9 112.8 -57.9 -19.1 -5.8 -15.3 -25.2 206 207 A V S S- 0 0 5 -3,-0.4 -196,-0.2 -4,-0.1 -27,-0.1 -0.394 74.6-122.3 -61.1 122.7 -6.6 -17.4 -22.1 207 208 A K - 0 0 153 -29,-0.3 -27,-2.6 -2,-0.2 -1,-0.1 -0.398 30.8 -99.7 -67.7 141.8 -10.2 -18.7 -22.6 208 209 A P - 0 0 79 0, 0.0 2,-0.5 0, 0.0 -199,-0.1 -0.250 42.8-100.7 -59.4 147.5 -12.7 -17.8 -19.8 209 210 A T + 0 0 26 -201,-0.7 -33,-0.1 1,-0.2 -32,-0.1 -0.606 51.8 159.3 -75.2 122.9 -13.3 -20.5 -17.2 210 211 A T + 0 0 135 -2,-0.5 2,-0.4 -34,-0.2 -1,-0.2 0.633 43.8 93.7-114.3 -26.1 -16.5 -22.3 -18.1 211 212 A Y - 0 0 72 -35,-0.3 2,-0.9 -36,-0.2 -2,-0.0 -0.565 64.8-145.7 -77.0 126.5 -16.1 -25.6 -16.2 212 213 A N - 0 0 113 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.816 15.5-150.3 -95.0 107.5 -17.6 -25.7 -12.7 213 214 A Y - 0 0 44 -2,-0.9 2,-0.6 -37,-0.1 -178,-0.0 -0.645 4.1-155.6 -82.3 128.3 -15.3 -27.9 -10.5 214 215 A Q - 0 0 147 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.912 12.6-168.3-106.7 115.8 -17.0 -29.7 -7.7 215 216 A G - 0 0 27 -2,-0.6 2,-0.2 0, 0.0 -180,-0.1 -0.905 10.2-145.8-112.9 131.6 -14.7 -30.6 -4.8 216 217 A E - 0 0 143 -2,-0.5 75,-0.1 1,-0.1 -2,-0.0 -0.556 24.6-113.2 -87.2 154.1 -15.4 -33.0 -1.9 217 218 A K - 0 0 143 -2,-0.2 2,-0.1 74,-0.1 -1,-0.1 -0.641 31.4-122.3 -88.6 143.6 -14.0 -32.4 1.6 218 219 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.445 10.4-139.6 -86.1 158.2 -11.5 -34.8 3.0 219 220 A M - 0 0 129 -73,-0.2 2,-0.5 -2,-0.1 -70,-0.1 -0.969 15.0-138.3-117.9 129.3 -11.6 -36.9 6.2 220 221 A F - 0 0 44 -2,-0.5 -74,-0.2 2,-0.0 -75,-0.1 -0.739 24.8-179.4 -88.0 129.4 -8.5 -37.2 8.4 221 222 A L - 0 0 66 -76,-1.6 2,-2.2 -2,-0.5 -74,-0.1 -0.996 34.3-128.6-133.4 135.3 -7.9 -40.7 9.8 222 223 A P + 0 0 45 0, 0.0 -77,-0.1 0, 0.0 174,-0.1 -0.196 56.8 150.0 -72.4 48.7 -5.0 -42.0 12.0 223 224 A N - 0 0 79 -2,-2.2 174,-2.8 -79,-0.7 2,-0.4 -0.294 37.3-130.8 -80.3 167.9 -4.2 -44.8 9.7 224 225 A R E -h 397 0D 88 172,-0.2 2,-0.4 -2,-0.0 174,-0.2 -0.963 16.6-172.2-127.4 139.9 -0.8 -46.4 9.3 225 226 A I E -h 398 0D 43 172,-2.5 174,-1.2 -2,-0.4 2,-0.4 -0.990 9.5-178.4-126.5 134.2 1.4 -47.3 6.3 226 227 A V E -h 399 0D 41 -2,-0.4 2,-0.4 172,-0.2 174,-0.2 -0.968 7.4-162.8-131.1 148.2 4.6 -49.3 6.6 227 228 A R E -h 400 0D 83 172,-1.8 174,-2.0 -2,-0.4 2,-0.7 -0.991 15.3-137.6-136.1 128.3 7.0 -50.3 3.9 228 229 A K E +h 401 0D 147 -2,-0.4 2,-0.3 176,-0.2 174,-0.2 -0.752 41.3 148.9 -87.6 116.0 9.7 -52.9 4.1 229 230 A K - 0 0 9 172,-3.4 2,-1.2 -2,-0.7 175,-0.2 -0.992 54.3-103.1-146.4 148.4 12.9 -51.7 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