==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-07 3BF0 . COMPND 2 MOLECULE: PROTEASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.PAETZEL . 1902 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1455 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 293 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 0 0.0 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 . 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 . 151 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 631 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.0 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 13 2 7 15 0 1 3 3 5 7 0 0 8 0 0 0 0 0 0 0 0 5 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 17 15 17 1 4 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 8 0 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 ANTIPARALLEL BRIDGES PER LADDER . 15 8 0 0 5 0 2 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 56 A R 0 0 208 0, 0.0 37,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0-148.1 -17.8 49.8 -51.8 2 57 A G - 0 0 1 233,-0.1 38,-1.6 223,-0.1 39,-0.4 -0.088 360.0 -60.1 107.4 159.9 -16.5 49.7 -48.1 3 58 A A E -a 236 0A 0 232,-2.7 234,-2.4 36,-0.2 2,-0.5 -0.328 43.8-119.1 -65.1 154.2 -13.5 48.9 -45.9 4 59 A L E -ab 237 42A 0 37,-2.8 39,-2.8 232,-0.2 2,-0.7 -0.921 29.4-143.2 -91.3 128.5 -11.9 45.5 -45.7 5 60 A L E -ab 238 43A 32 232,-3.2 234,-2.9 -2,-0.5 2,-1.4 -0.844 12.2-165.5-100.4 108.6 -12.2 44.4 -42.1 6 61 A L E + b 0 44A 3 37,-3.0 39,-2.0 -2,-0.7 2,-0.9 -0.680 26.5 155.3 -92.7 78.2 -9.2 42.5 -40.8 7 62 A D - 0 0 50 -2,-1.4 39,-0.1 37,-0.2 -1,-0.1 -0.600 26.0-171.7-100.4 66.3 -10.8 41.1 -37.7 8 63 A I - 0 0 6 -2,-0.9 40,-0.5 37,-0.1 2,-0.5 -0.347 5.3-161.6 -66.2 138.0 -8.4 38.2 -37.6 9 64 A S E -f 48 0B 33 2,-0.1 2,-0.4 40,-0.1 40,-0.3 -0.954 51.5 -6.7-129.6 116.7 -9.4 35.6 -35.1 10 65 A G E S-f 49 0B 7 38,-3.2 40,-2.7 -2,-0.5 41,-0.7 -0.859 98.3 -28.3 109.3-144.8 -6.9 33.0 -33.8 11 66 A V E -fg 51 20B 42 8,-3.3 10,-2.4 -2,-0.4 2,-0.5 -0.674 47.9-120.8-112.7 161.5 -3.3 32.3 -35.0 12 67 A I E + g 0 21B 8 39,-1.7 2,-0.3 -2,-0.2 41,-0.3 -0.902 37.3 165.9-101.1 134.7 -1.4 32.7 -38.3 13 68 A V E - g 0 22B 23 8,-2.6 10,-2.2 -2,-0.5 11,-0.2 -0.954 44.5-121.3-140.9 157.1 0.1 29.5 -39.7 14 69 A D S S+ 0 0 2 -2,-0.3 10,-0.4 1,-0.3 -1,-0.1 0.891 101.0 12.4 -59.3 -39.8 1.6 28.6 -43.1 15 70 A K 0 0 48 1,-0.1 -1,-0.3 7,-0.1 6,-0.1 -0.950 360.0 360.0-153.7 108.1 -1.0 25.8 -43.6 16 71 A P 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.864 360.0 360.0 -57.6 360.0 -4.2 24.9 -41.7 17 ! 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 18 92 A L 0 0 77 0, 0.0 3,-0.1 0, 0.0 222,-0.0 0.000 360.0 360.0 360.0-165.4 -11.5 30.9 -37.5 19 93 A Q + 0 0 141 1,-0.3 -8,-3.3 -9,-0.1 2,-0.6 0.367 360.0 46.2-129.5 -41.3 -8.6 29.7 -35.2 20 94 A E E S-g 11 0B 98 -10,-0.2 2,-0.4 -8,-0.0 -1,-0.3 -0.934 74.9-173.2 -99.4 118.0 -6.0 28.7 -37.8 21 95 A N E -g 12 0B 5 -10,-2.4 -8,-2.6 -2,-0.6 2,-0.4 -0.913 24.1-119.1-111.6 138.4 -5.6 31.4 -40.4 22 96 A S E > -g 13 0B 12 -2,-0.4 4,-1.8 -10,-0.2 -8,-0.2 -0.661 8.8-149.1 -80.8 126.7 -3.5 31.0 -43.5 23 97 A L H > S+ 0 0 0 -10,-2.2 4,-2.2 -2,-0.4 5,-0.2 0.892 99.0 49.4 -54.8 -44.2 -0.6 33.4 -44.0 24 98 A F H > S+ 0 0 13 -10,-0.4 4,-2.8 -11,-0.2 5,-0.2 0.925 108.1 50.5 -74.2 -41.4 -0.9 33.2 -47.7 25 99 A D H > S+ 0 0 80 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.863 111.8 50.8 -58.2 -38.0 -4.7 33.8 -47.9 26 100 A I H >X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 3,-0.6 0.985 113.2 43.1 -63.7 -55.3 -4.3 36.9 -45.7 27 101 A V H 3X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.908 115.8 48.6 -56.4 -46.8 -1.4 38.4 -47.8 28 102 A N H 3X S+ 0 0 64 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.727 110.9 50.5 -68.7 -22.3 -3.2 37.6 -51.1 29 103 A T H X S+ 0 0 44 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.894 109.4 55.0 -63.6 -38.2 -6.4 41.7 -54.1 33 107 A A H 3< S+ 0 0 0 -4,-3.1 3,-0.4 1,-0.2 6,-0.3 0.819 98.5 63.5 -68.6 -28.5 -8.0 44.4 -52.0 34 108 A K H 3< S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.0 36.3 -56.3 -39.0 -5.4 46.9 -53.1 35 109 A D H << S+ 0 0 131 -4,-0.8 2,-0.7 -3,-0.6 -1,-0.2 0.446 94.4 104.0 -97.9 -4.9 -6.5 46.7 -56.7 36 110 A D >< - 0 0 39 -4,-0.7 3,-1.4 -3,-0.4 -4,-0.0 -0.736 59.4-155.8 -86.5 113.1 -10.2 46.3 -55.9 37 111 A R T 3 S+ 0 0 185 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.0 0.778 93.4 64.1 -53.7 -26.4 -12.1 49.6 -56.6 38 112 A N T 3 S+ 0 0 77 -37,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.734 88.7 71.0 -78.5 -23.3 -14.6 48.2 -54.0 39 113 A I < + 0 0 4 -3,-1.4 -36,-0.2 -6,-0.3 3,-0.1 -0.824 54.8 176.2 -89.3 129.7 -12.3 48.3 -51.1 40 114 A T - 0 0 47 -38,-1.6 2,-0.3 -2,-0.5 -37,-0.2 0.272 63.6 -22.7-114.8 8.6 -11.5 51.9 -50.0 41 115 A G - 0 0 0 -39,-0.4 -37,-2.8 31,-0.2 2,-0.4 -0.941 62.1-102.1 165.6 174.4 -9.4 51.0 -47.0 42 116 A I E -bc 4 74A 0 31,-3.0 33,-3.1 -2,-0.3 2,-0.5 -0.993 18.5-165.2-127.9 129.7 -8.5 48.5 -44.4 43 117 A V E -bc 5 75A 0 -39,-2.8 -37,-3.0 -2,-0.4 2,-0.7 -0.980 11.2-152.9-111.8 121.8 -9.5 48.4 -40.7 44 118 A M E +bc 6 76A 2 31,-3.7 33,-2.3 -2,-0.5 2,-0.6 -0.831 16.2 176.1 -90.8 113.9 -7.5 46.1 -38.4 45 119 A D E + c 0 77A 43 -39,-2.0 3,-0.3 -2,-0.7 33,-0.1 -0.910 8.2 168.4-112.6 98.2 -9.5 44.8 -35.4 46 120 A L > + 0 0 5 31,-0.6 3,-1.8 -2,-0.6 -39,-0.1 0.116 32.0 119.4-104.4 24.2 -7.1 42.4 -33.7 47 121 A K T 3 S+ 0 0 110 1,-0.3 -1,-0.2 34,-0.1 -38,-0.1 0.730 84.6 38.2 -65.9 -21.9 -8.7 41.7 -30.3 48 122 A N E 3 S+f 9 0B 92 -40,-0.5 -38,-3.2 -3,-0.3 2,-0.7 -0.015 87.2 115.9-115.4 20.4 -9.0 38.0 -31.0 49 123 A F E < -f 10 0B 3 -3,-1.8 36,-0.2 -40,-0.3 -38,-0.2 -0.878 44.2-170.4-103.4 117.5 -5.8 37.6 -32.7 50 124 A A E - 0 0 79 -40,-2.7 -39,-0.2 -2,-0.7 2,-0.2 0.414 44.9 -96.5 -93.4 -1.2 -3.5 35.3 -30.7 51 125 A G E -f 11 0B 15 -41,-0.7 -39,-1.7 33,-0.1 -1,-0.3 -0.488 26.1-137.4 118.1 173.6 -0.2 35.8 -32.6 52 126 A G - 0 0 27 -41,-0.2 2,-0.1 -2,-0.2 -39,-0.1 -0.896 42.5 -78.4-155.6 172.8 2.1 34.5 -35.3 53 127 A D >> - 0 0 45 -2,-0.3 4,-1.5 -41,-0.3 3,-0.5 -0.393 49.3-105.3 -74.1 159.8 5.8 34.1 -35.6 54 128 A Q H 3> S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 115.6 53.6 -60.7 -45.4 7.8 37.2 -36.4 55 129 A P H 3> S+ 0 0 8 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.851 110.2 50.3 -53.6 -35.1 8.6 36.4 -40.2 56 130 A S H <> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.831 110.2 46.5 -76.5 -35.6 5.0 35.8 -40.9 57 131 A M H X S+ 0 0 10 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.864 109.9 54.3 -79.2 -30.9 3.8 39.0 -39.4 58 132 A Q H X S+ 0 0 57 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 107.4 52.9 -67.1 -35.6 6.5 40.9 -41.2 59 133 A Y H X S+ 0 0 6 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.931 108.8 46.7 -61.3 -50.0 5.2 39.3 -44.4 60 134 A I H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.863 109.5 58.4 -63.8 -35.6 1.6 40.5 -43.7 61 135 A G H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 3,-0.6 0.953 99.8 55.4 -48.7 -59.0 3.2 43.9 -42.9 62 136 A K H 3X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.838 107.4 49.6 -43.8 -42.9 4.7 44.1 -46.4 63 137 A A H 3X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.848 110.9 50.0 -72.8 -33.0 1.3 43.6 -48.0 64 138 A L H <>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 3,-0.8 0.928 115.2 48.9 -60.0 -43.5 -1.9 48.5 -49.9 68 142 A R H ><5S+ 0 0 68 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.881 102.9 59.1 -60.9 -44.9 -0.9 51.8 -48.1 69 143 A D H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.675 96.7 64.6 -63.9 -16.0 1.5 52.8 -50.9 70 144 A S T <<5S- 0 0 58 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.356 122.8-101.5 -83.4 -0.7 -1.5 52.7 -53.4 71 145 A G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.388 81.9 127.3 90.1 -0.9 -3.2 55.6 -51.5 72 146 A K < - 0 0 36 -5,-1.1 -1,-0.3 1,-0.0 -31,-0.2 -0.694 59.7-116.4 -86.2 138.5 -5.8 53.5 -49.5 73 147 A P - 0 0 25 0, 0.0 -31,-3.0 0, 0.0 2,-0.4 -0.494 20.4-160.0 -77.7 144.2 -5.9 54.0 -45.7 74 148 A V E -c 42 0A 0 -33,-0.2 19,-2.5 -2,-0.2 20,-1.2 -0.994 13.9-170.6-120.1 126.4 -5.1 51.3 -43.1 75 149 A Y E -cd 43 94A 25 -33,-3.1 -31,-3.7 -2,-0.4 2,-0.5 -0.905 14.3-155.0-118.9 141.4 -6.5 51.8 -39.5 76 150 A A E +cd 44 95A 0 18,-2.6 20,-3.6 -2,-0.4 2,-0.4 -0.973 18.6 176.7-114.1 125.8 -5.8 50.0 -36.3 77 151 A V E +cd 45 96A 15 -33,-2.3 -31,-0.6 -2,-0.5 2,-0.3 -0.961 12.8 132.5-123.3 144.3 -8.5 50.1 -33.6 78 152 A G E - d 0 97A 15 18,-0.9 20,-0.7 -2,-0.4 23,-0.1 -0.871 56.1-126.4-178.9 153.3 -8.7 48.4 -30.2 79 153 A E S S- 0 0 68 -2,-0.3 19,-0.6 1,-0.2 2,-0.3 0.876 101.3 -2.4 -63.9 -44.5 -9.4 48.8 -26.5 80 154 A N - 0 0 55 21,-0.2 2,-0.4 17,-0.1 -1,-0.2 -0.935 65.2-138.3-140.5 164.1 -5.9 47.3 -25.9 81 155 A Y E -h 103 0C 5 21,-3.0 23,-2.9 -2,-0.3 2,-0.1 -0.962 7.7-155.6-129.6 124.4 -2.9 45.8 -27.7 82 156 A S E > -h 104 0C 44 -2,-0.4 4,-2.3 21,-0.2 5,-0.2 -0.369 43.5 -97.7 -70.6 167.5 -0.8 42.8 -26.8 83 157 A Q H > S+ 0 0 17 21,-0.6 4,-1.4 1,-0.2 5,-0.1 0.832 125.9 47.9 -60.4 -34.3 2.7 42.7 -28.1 84 158 A G H > S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.975 112.1 47.5 -66.9 -54.1 1.6 40.5 -31.0 85 159 A Q H > S+ 0 0 24 -36,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.841 111.4 52.3 -52.9 -36.2 -1.4 42.6 -32.0 86 160 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.880 100.5 58.3 -76.9 -42.8 0.7 45.8 -31.9 87 161 A Y H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.939 115.7 39.1 -43.4 -53.1 3.5 44.6 -34.1 88 162 A L H >< S+ 0 0 4 -4,-1.6 3,-2.0 1,-0.2 -2,-0.2 0.956 114.1 51.6 -67.4 -49.0 0.8 44.1 -36.7 89 163 A A H >< S+ 0 0 0 -4,-2.9 3,-2.6 1,-0.3 -1,-0.2 0.787 95.0 74.3 -58.5 -27.5 -1.3 47.2 -35.9 90 164 A S T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.458 83.2 66.8 -72.0 -2.1 1.9 49.3 -36.3 91 165 A F T < S+ 0 0 3 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.489 83.6 103.4 -87.6 -7.3 1.8 48.9 -40.0 92 166 A A S < S- 0 0 3 -3,-2.6 -17,-0.2 -4,-0.2 3,-0.2 -0.310 76.4-131.1 -75.8 155.6 -1.4 51.0 -40.0 93 167 A N S S+ 0 0 70 -19,-2.5 2,-0.4 1,-0.3 -18,-0.2 0.898 96.7 22.2 -62.9 -37.7 -1.5 54.7 -41.0 94 168 A K E S-d 75 0A 70 -20,-1.2 -18,-2.6 -5,-0.1 2,-0.6 -0.995 70.4-155.1-147.0 115.9 -3.4 55.6 -37.9 95 169 A I E -d 76 0A 0 -2,-0.4 114,-3.1 -20,-0.2 115,-1.7 -0.898 9.2-160.5-105.8 117.3 -3.6 53.7 -34.5 96 170 A W E -de 77 210A 15 -20,-3.6 -18,-0.9 -2,-0.6 2,-0.3 -0.857 10.8-176.2 -97.1 121.7 -6.6 54.2 -32.3 97 171 A L E -de 78 211A 0 113,-3.0 115,-2.6 -2,-0.5 -18,-0.2 -0.893 29.4-110.9-114.8 150.0 -6.4 53.3 -28.5 98 172 A S > - 0 0 14 -20,-0.7 3,-1.9 -19,-0.6 115,-0.1 -0.488 31.8-117.2 -69.3 145.1 -9.1 53.4 -25.8 99 173 A P T 3 S+ 0 0 53 0, 0.0 100,-0.3 0, 0.0 101,-0.3 0.726 120.1 38.9 -64.6 -17.7 -8.4 56.1 -23.2 100 174 A Q T 3 S+ 0 0 61 99,-0.1 98,-0.2 98,-0.1 -21,-0.1 0.336 99.5 113.0-104.5 7.0 -8.1 53.3 -20.6 101 175 A G < - 0 0 0 -3,-1.9 2,-0.3 -23,-0.1 -21,-0.2 -0.097 51.2-146.5 -72.5 170.4 -6.1 51.0 -23.0 102 176 A V - 0 0 47 -23,-0.2 -21,-3.0 96,-0.1 2,-0.6 -0.970 13.8-142.5-134.5 147.9 -2.5 49.7 -22.9 103 177 A V E -h 81 0C 14 -2,-0.3 2,-1.2 95,-0.2 -21,-0.2 -0.983 29.8-148.7-106.0 115.3 0.0 48.8 -25.4 104 178 A D E +h 82 0C 75 -23,-2.9 -21,-0.6 -2,-0.6 2,-0.5 -0.665 28.9 162.4-103.3 85.1 1.7 45.9 -23.7 105 179 A L + 0 0 8 -2,-1.2 -2,-0.1 1,-0.1 1235,-0.0 -0.869 11.0 142.9-104.4 126.3 5.3 45.7 -24.7 106 180 A H - 0 0 50 -2,-0.5 2,-0.2 1,-0.3 1235,-0.2 0.476 51.8-117.9-146.3 -10.6 7.5 43.6 -22.4 107 181 A G - 0 0 3 1233,-0.1 2,-0.4 1230,-0.1 -1,-0.3 -0.657 38.3 -54.5 107.4-162.2 10.0 41.9 -24.6 108 182 A F + 0 0 50 -2,-0.2 1229,-2.5 50,-0.1 1230,-0.5 -0.941 46.9 179.3-122.4 145.5 10.8 38.2 -25.4 109 183 A A B -I 1336 0D 44 -2,-0.4 2,-0.3 1227,-0.2 1227,-0.3 -0.995 16.6-150.7-147.2 150.2 11.6 35.4 -23.1 110 184 A T + 0 0 40 1225,-2.9 2,-0.3 -2,-0.3 1231,-0.0 -0.842 17.9 179.5-115.7 155.2 12.4 31.7 -23.2 111 185 A N + 0 0 70 -2,-0.3 2,-0.3 1223,-0.2 1223,-0.2 -0.917 5.3 163.9-159.9 131.8 11.5 29.2 -20.5 112 186 A G E -J 1333 0E 28 1221,-1.8 1221,-1.6 -2,-0.3 2,-0.3 -0.986 35.7-107.1-147.0 158.2 12.0 25.4 -20.0 113 187 A L E -J 1332 0E 70 -2,-0.3 2,-0.4 1219,-0.2 1219,-0.2 -0.652 26.0-164.6 -87.3 142.3 11.9 22.8 -17.3 114 188 A Y E +J 1331 0E 21 1217,-2.5 1217,-2.6 -2,-0.3 27,-0.1 -0.966 9.7 176.3-126.5 138.2 15.2 21.3 -16.2 115 189 A Y > + 0 0 73 25,-2.9 4,-2.5 28,-0.4 5,-0.3 0.197 33.8 124.8-136.2 11.1 15.1 18.0 -14.1 116 190 A K H > S+ 0 0 81 27,-1.8 4,-1.9 24,-0.3 28,-0.1 0.907 86.4 44.2 -41.2 -53.8 18.5 16.5 -13.2 117 191 A S H > S+ 0 0 36 1212,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.850 110.3 52.4 -66.9 -40.1 17.5 16.5 -9.5 118 192 A L H > S+ 0 0 45 1211,-1.4 4,-2.4 2,-0.2 5,-0.2 0.973 110.5 49.3 -56.2 -52.4 14.0 15.1 -9.9 119 193 A L H <>S+ 0 0 24 -4,-2.5 5,-2.1 1,-0.2 4,-0.5 0.884 111.9 49.4 -55.4 -40.4 15.4 12.2 -12.0 120 194 A D H ><5S+ 0 0 95 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.906 111.2 48.2 -64.5 -42.3 18.1 11.6 -9.2 121 195 A K H 3<5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.827 113.6 48.1 -63.8 -33.8 15.4 11.6 -6.4 122 196 A L T 3<5S- 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.496 111.4-126.7 -86.2 -9.6 13.3 9.2 -8.5 123 197 A K T < 5 + 0 0 114 -3,-0.7 246,-0.3 -4,-0.5 247,-0.3 0.657 51.2 160.2 73.2 21.2 16.5 7.0 -9.1 124 198 A V < - 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0 0 81 -4,-2.1 -27,-0.9 -5,-0.1 -1,-0.1 -0.983 59.4-122.4-157.8 169.3 9.9 -14.3 -5.7 620 218 B D S S+ 0 0 72 -2,-0.3 2,-0.3 -29,-0.1 -30,-0.2 0.536 93.8 6.5 -78.1 -20.4 12.3 -11.4 -6.7 621 219 B D S S- 0 0 69 -6,-0.2 -242,-0.1 -32,-0.1 2,-0.1 -0.901 94.8 -60.7-158.8 171.7 13.9 -13.2 -9.6 622 220 B M - 0 0 6 -2,-0.3 -2,-0.1 -244,-0.1 -242,-0.1 -0.438 48.3-123.8 -67.4 145.1 13.9 -16.4 -11.7 623 221 B S > - 0 0 12 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.526 28.7-109.6 -77.6 154.1 14.4 -19.7 -10.0 624 222 B P H > S+ 0 0 89 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.901 121.4 59.3 -50.7 -37.2 17.3 -21.7 -11.4 625 223 B A H >> S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.953 106.8 45.5 -56.0 -51.7 14.6 -24.1 -12.8 626 224 B A H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 110.1 52.9 -60.1 -42.0 13.0 -21.2 -14.8 627 225 B R H 3X S+ 0 0 85 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.756 110.5 48.8 -72.2 -19.6 16.3 -19.9 -16.2 628 226 B E H S+ 0 0 8 -4,-3.8 5,-1.7 -5,-0.3 4,-0.4 0.863 111.2 47.1 -54.6 -40.1 22.2 -18.2 -42.8 647 245 B A H ><5S+ 0 0 60 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.892 109.6 53.1 -72.6 -40.7 20.7 -20.7 -45.3 648 246 B N H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 117.8 36.3 -60.2 -31.8 18.8 -18.0 -47.1 649 247 B R T 3<5S- 0 0 25 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.306 103.7-128.1-106.9 4.2 22.0 -15.9 -47.6 650 248 B Q T < 5S+ 0 0 173 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.844 71.9 114.0 44.3 43.8 24.3 -18.9 -48.1 651 249 B I S > - 0 0 75 0, 0.0 3,-2.3 0, 0.0 4,-1.1 -0.455 36.3-114.7 -74.2 148.4 27.6 -19.3 -42.2 653 251 B A H 3> S+ 0 0 11 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.815 114.0 58.0 -40.9 -47.8 25.4 -18.5 -39.1 654 252 B E H 34 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.2 -12,-0.0 0.640 103.7 55.2 -68.3 -10.4 28.2 -16.8 -37.1 655 253 B Q H <4 S+ 0 0 58 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.794 100.1 58.6 -88.9 -34.8 28.6 -14.4 -40.1 656 254 B V H < S- 0 0 1 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.1 0.962 134.3 -4.1 -56.6 -51.0 24.9 -13.4 -39.9 657 255 B F < - 0 0 13 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.1 -0.835 64.7-172.6-148.0 103.7 25.4 -12.2 -36.3 658 256 B P - 0 0 55 0, 0.0 4,-0.4 0, 0.0 2,-0.1 0.413 52.5 -96.0 -76.8 4.2 28.8 -12.8 -34.6 659 257 B G > - 0 0 23 1,-0.1 4,-2.3 2,-0.1 5,-0.3 -0.334 53.1 -62.3 94.5 171.0 27.8 -11.7 -31.1 660 258 B A H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.953 134.0 48.3 -62.3 -51.3 28.3 -8.3 -29.5 661 259 B Q H > S+ 0 0 153 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 115.1 45.5 -50.0 -52.9 32.1 -8.2 -29.6 662 260 B G H > S+ 0 0 21 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.829 112.3 50.0 -63.9 -36.4 32.2 -9.3 -33.3 663 261 B L H X S+ 0 0 14 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.938 111.9 47.7 -70.3 -45.2 29.5 -6.9 -34.4 664 262 B L H < S+ 0 0 52 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.837 114.3 46.7 -63.5 -36.6 31.2 -4.0 -32.7 665 263 B E H >X S+ 0 0 101 -4,-2.1 3,-2.5 -5,-0.2 4,-2.1 0.956 111.5 50.5 -68.5 -52.9 34.6 -4.9 -34.2 666 264 B G H 3< S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.758 109.4 52.3 -54.8 -25.6 33.2 -5.4 -37.7 667 265 B L T 3<>S+ 0 0 6 -4,-1.3 5,-1.9 1,-0.2 -1,-0.3 0.364 108.7 51.6 -93.6 3.5 31.5 -2.0 -37.3 668 266 B T T X45S+ 0 0 94 -3,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.701 96.1 63.2-112.2 -35.8 34.9 -0.5 -36.4 669 267 B K T 3<5S+ 0 0 169 -4,-2.1 -1,-0.1 1,-0.2 -2,-0.1 0.023 113.8 43.7 -66.7 27.3 36.8 -2.0 -39.5 670 268 B T T > 5S- 0 0 20 -5,-0.1 3,-1.3 -3,-0.1 -1,-0.2 0.250 114.6-106.5-164.3 3.8 34.3 0.4 -41.2 671 269 B G T < 5S- 0 0 48 -3,-1.1 -3,-0.2 1,-0.3 3,-0.1 0.702 79.6 -58.8 68.1 20.7 34.1 3.8 -39.3 672 270 B G T 3 - 0 0 35 -3,-1.3 4,-1.0 -6,-0.2 -1,-0.3 -0.709 24.9-173.4 -82.8 109.2 29.1 2.5 -41.2 674 272 B T H > S+ 0 0 34 -2,-0.9 4,-1.9 -98,-0.2 -95,-0.3 0.848 81.0 51.4 -75.1 -36.9 26.3 0.1 -40.8 675 273 B A H > S+ 0 0 0 -100,-0.4 4,-2.8 2,-0.2 5,-0.2 0.903 109.7 51.0 -63.7 -40.5 25.3 -0.4 -44.5 676 274 B K H > S+ 0 0 95 -101,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.801 109.4 51.2 -68.7 -29.0 29.0 -1.1 -45.4 677 275 B Y H X S+ 0 0 15 -4,-1.0 4,-1.6 2,-0.2 6,-0.3 0.903 111.2 48.4 -68.0 -44.6 29.0 -3.7 -42.6 678 276 B A H <>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 6,-1.2 0.910 115.0 43.6 -64.5 -46.1 25.9 -5.3 -44.0 679 277 B L H ><5S+ 0 0 65 -4,-2.8 3,-1.0 3,-0.2 -2,-0.2 0.916 113.1 50.1 -66.8 -43.0 27.2 -5.3 -47.6 680 278 B E H 3<5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 113.9 44.8 -68.7 -30.5 30.7 -6.6 -46.8 681 279 B N T 3<5S- 0 0 46 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.341 115.1-115.8 -95.8 4.4 29.4 -9.5 -44.6 682 280 B K T < 5S+ 0 0 119 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.647 78.3 126.7 75.4 17.4 26.8 -10.4 -47.2 683 281 B L S - 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0 0 37 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.822 66.3-100.6-137.2 177.6 -50.2 -3.8 19.8 1859 499 D T >> - 0 0 70 -2,-0.3 4,-2.4 -3,-0.1 3,-1.3 -0.754 28.7-118.6 -97.9 153.0 -48.9 -1.1 22.2 1860 500 D P H 3> S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.901 117.6 53.6 -52.4 -41.0 -45.8 1.2 21.6 1861 501 D E H 34 S+ 0 0 159 1,-0.2 4,-0.4 2,-0.2 -12,-0.0 0.639 109.1 49.2 -69.5 -17.3 -44.2 -0.3 24.7 1862 502 D Q H X4 S+ 0 0 107 -3,-1.3 3,-0.9 2,-0.2 4,-0.3 0.870 107.7 51.6 -87.4 -47.1 -44.7 -3.9 23.2 1863 503 D I H >X S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 4,-0.6 0.827 98.9 67.1 -59.9 -30.0 -43.2 -3.0 19.8 1864 504 D D G >< S+ 0 0 57 -4,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.897 93.8 59.0 -58.7 -35.7 -40.1 -1.6 21.5 1865 505 D K G <4 S+ 0 0 161 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.579 117.1 31.7 -72.9 -8.9 -39.3 -5.1 22.7 1866 506 D I G <4 S+ 0 0 33 -3,-1.8 -74,-0.3 -4,-0.3 -1,-0.3 0.205 117.7 58.8-129.4 12.6 -39.2 -6.3 19.0 1867 507 D A X< + 0 0 1 -3,-1.0 3,-2.2 -4,-0.6 -76,-0.2 0.472 45.0 119.9-101.1-111.7 -38.0 -3.1 17.4 1868 508 D Q T 3 S- 0 0 48 1,-0.3 -300,-3.1 -301,-0.1 -299,-0.3 0.827 110.3 -68.1 45.1 34.8 -34.6 -1.6 18.5 1869 509 D G T 3 S+ 0 0 0 -77,-3.0 -299,-0.3 1,-0.2 2,-0.3 0.513 87.7 159.2 70.1 7.1 -33.5 -2.0 14.9 1870 510 D H < - 0 0 22 -3,-2.2 -79,-2.5 -78,-0.3 -78,-0.5 -0.430 35.0-138.0 -69.0 121.7 -33.5 -5.9 15.0 1871 511 D V E -C 1790 0i 22 -2,-0.3 2,-0.3 -303,-0.3 -81,-0.2 -0.570 25.3-172.5 -77.6 140.1 -33.7 -7.7 11.7 1872 512 D W E -C 1789 0i 40 -83,-1.8 -83,-3.6 -2,-0.2 2,-0.1 -0.992 22.8-119.7-135.5 146.7 -36.0 -10.8 11.6 1873 513 D T E > -C 1788 0i 0 -2,-0.3 4,-3.5 -85,-0.2 -85,-0.2 -0.370 41.5-101.8 -71.2 157.1 -36.8 -13.6 9.1 1874 514 D G H > S+ 0 0 0 -87,-1.4 4,-2.1 -90,-0.5 -88,-0.2 0.760 125.9 53.6 -47.8 -28.9 -40.4 -13.9 7.9 1875 515 D Q H > S+ 0 0 88 -90,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.918 110.9 41.3 -77.8 -49.6 -40.7 -16.7 10.4 1876 516 D D H > S+ 0 0 20 -91,-0.3 4,-1.1 1,-0.2 6,-0.2 0.886 115.1 55.5 -64.4 -35.1 -39.5 -14.7 13.4 1877 517 D A H >X>S+ 0 0 0 -4,-3.5 5,-1.3 2,-0.2 6,-0.8 0.937 107.9 46.9 -58.7 -49.3 -41.6 -11.9 12.0 1878 518 D K H ><5S+ 0 0 92 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.894 109.9 54.1 -61.4 -39.3 -44.8 -14.1 12.0 1879 519 D A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 111.8 43.8 -72.8 -19.2 -44.1 -15.3 15.5 1880 520 D N H <<5S- 0 0 46 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.406 116.3-106.7-107.9 5.8 -43.9 -11.8 16.8 1881 521 D G T <<5S+ 0 0 34 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.294 89.3 112.6 93.6 -5.8 -46.9 -10.4 15.0 1882 522 D L S - 0 0 30 -2,-0.3 4,-1.3 -104,-0.1 3,-0.5 -0.473 55.4 -66.2-127.1-168.2 -45.5 -16.4 -1.5 1889 529 D F H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.869 127.1 58.5 -51.3 -45.3 -47.0 -14.1 -4.2 1890 530 D D H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 105.2 50.7 -53.8 -40.2 -49.9 -16.6 -4.9 1891 531 D D H > S+ 0 0 70 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.828 109.3 49.8 -72.3 -31.5 -51.0 -16.4 -1.3 1892 532 D A H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 -2,-0.2 0.911 112.9 46.4 -72.0 -45.4 -51.0 -12.6 -1.3 1893 533 D V H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.980 111.5 50.9 -58.8 -52.0 -53.1 -12.4 -4.5 1894 534 D A H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.826 112.0 48.7 -55.9 -37.2 -55.5 -15.1 -3.3 1895 535 D K H X S+ 0 0 40 -4,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.899 108.5 51.9 -71.5 -45.3 -56.0 -13.2 -0.0 1896 536 D A H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.921 112.1 46.9 -51.3 -53.0 -56.6 -9.8 -1.8 1897 537 D A H >< S+ 0 0 12 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.920 111.1 52.3 -57.8 -44.6 -59.3 -11.4 -4.0 1898 538 D E H 3< S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 102.4 57.8 -63.9 -31.2 -60.8 -13.0 -0.9 1899 539 D L H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.640 130.1 11.9 -74.8 -14.1 -60.9 -9.6 0.9 1900 540 D A S << S- 0 0 37 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.1 0.225 106.4-106.9-114.0-116.1 -63.1 -8.5 -2.1 1901 541 D K + 0 0 149 2,-0.1 2,-0.4 -2,-0.1 -3,-0.1 -0.983 49.3 18.1-166.0 167.0 -64.5 -11.2 -4.5 1902 542 D V S S- 0 0 96 -2,-0.3 2,-0.3 -4,-0.1 -216,-0.0 -0.630 88.8 -16.9 110.3-113.2 -64.9 -13.4 -7.7 1903 543 D K + 0 0 144 -2,-0.4 2,-0.2 -6,-0.0 -2,-0.1 -0.962 67.8 179.3-130.6 147.0 -62.5 -14.0 -10.6 1904 544 D Q - 0 0 75 -2,-0.3 2,-0.3 -220,-0.0 -217,-0.2 -0.684 20.0-164.2-134.6-178.1 -59.6 -11.5 -11.2 1905 545 D W - 0 0 49 -2,-0.2 -217,-2.8 -219,-0.2 2,-0.5 -0.908 35.2 -89.7-163.7 168.8 -56.7 -10.7 -13.3 1906 546 D H E -x 1688 0i 53 -2,-0.3 2,-0.6 -219,-0.2 -217,-0.2 -0.759 20.3-167.3-100.7 128.8 -53.7 -8.4 -12.8 1907 547 D L E -x 1689 0i 52 -219,-1.8 -217,-3.2 -2,-0.5 2,-0.2 -0.954 19.9-164.2 -98.6 116.5 -53.2 -4.8 -13.7 1908 548 D E E x 1690 0i 89 -2,-0.6 -217,-0.1 -219,-0.2 -219,-0.0 -0.575 360.0 360.0 -88.9 165.2 -49.5 -4.0 -13.3 1909 549 D Y 0 0 74 -219,-0.7 -1,-0.1 -2,-0.2 -218,-0.1 0.687 360.0 360.0-124.5 360.0 -48.2 -0.4 -13.1