==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-DEC-10 2Y3U . COMPND 2 MOLECULE: COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR U.ECKHARD,H.BRANDSTETTER . 679 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.1 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 . 35 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 4 2 1 2 0 3 0 2 3 2 1 1 2 4 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 0 2 0 0 0 1 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 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 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 1 110 A N 0 0 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 138.4 14.3 45.7 -17.9 2 111 A L - 0 0 91 11,-1.8 15,-0.3 10,-0.1 16,-0.1 -0.844 360.0-164.2-122.2 157.6 10.7 44.4 -18.2 3 112 A Y S S+ 0 0 185 -2,-0.3 2,-0.3 14,-0.1 11,-0.1 -0.010 70.4 61.1-132.7 29.0 7.3 46.0 -17.6 4 113 A F - 0 0 168 1,-0.1 10,-0.0 2,-0.0 -2,-0.0 -0.984 53.5-168.1-152.6 150.3 5.0 43.0 -17.4 5 114 A Q - 0 0 82 -2,-0.3 -1,-0.1 5,-0.1 -2,-0.0 0.739 7.3-165.4-103.0 -92.3 4.7 39.9 -15.1 6 115 A G + 0 0 45 4,-0.0 3,-0.4 0, 0.0 -2,-0.0 0.647 65.5 19.4 95.4 101.8 2.5 36.9 -15.8 7 116 A G S S- 0 0 70 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.436 108.0 -83.9 105.5 17.5 1.6 34.1 -13.3 8 117 A T S S+ 0 0 87 1,-0.2 2,-0.6 22,-0.0 -1,-0.2 0.319 102.3 114.9 27.2 17.4 2.2 35.7 -9.8 9 118 A X - 0 0 95 -3,-0.4 2,-0.4 26,-0.0 -1,-0.2 -0.888 57.4-151.0 -97.3 122.1 5.9 34.7 -10.2 10 119 A Y B -a 35 0A 20 24,-1.9 26,-3.1 -2,-0.6 2,-0.3 -0.756 6.1-151.7-103.4 137.3 8.2 37.8 -10.4 11 120 A D >> - 0 0 81 -2,-0.4 4,-1.9 24,-0.2 3,-0.6 -0.769 22.1-127.9-100.8 148.3 11.5 38.2 -12.3 12 121 A F H 3> S+ 0 0 5 24,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.844 110.0 63.9 -58.4 -38.5 14.3 40.7 -11.3 13 122 A E H 34 S+ 0 0 72 1,-0.2 -11,-1.8 2,-0.2 4,-0.3 0.887 109.3 41.5 -53.9 -36.9 14.3 42.1 -14.8 14 123 A Y H X> S+ 0 0 33 -3,-0.6 3,-1.0 -13,-0.2 4,-0.6 0.865 111.7 52.5 -79.9 -39.4 10.8 43.2 -14.0 15 124 A L H >< S+ 0 0 1 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.866 102.5 61.6 -64.7 -35.4 11.4 44.4 -10.5 16 125 A N T 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.693 100.2 55.4 -63.4 -20.4 14.3 46.6 -11.8 17 126 A G T <4 S+ 0 0 20 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.684 89.3 94.6 -86.3 -21.1 11.8 48.5 -13.9 18 127 A L S << S- 0 0 18 -3,-1.0 -15,-0.0 -4,-0.6 -3,-0.0 -0.441 81.3-111.4 -75.9 144.4 9.5 49.5 -11.1 19 128 A S > - 0 0 59 -2,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.223 35.2-108.2 -56.8 162.1 9.8 52.8 -9.2 20 129 A Y H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.885 120.5 53.1 -65.8 -38.2 10.9 52.4 -5.6 21 130 A T H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 112.5 43.2 -58.7 -48.3 7.4 53.3 -4.4 22 131 A E H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 116.1 50.5 -66.1 -39.8 5.9 50.6 -6.6 23 132 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 109.3 46.4 -67.3 -48.5 8.6 48.1 -5.7 24 133 A T H X S+ 0 0 25 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.857 112.5 52.1 -69.8 -32.9 8.5 48.4 -1.9 25 134 A N H X S+ 0 0 91 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.2 0.873 107.9 51.5 -68.6 -38.2 4.8 48.2 -1.9 26 135 A L H >< S+ 0 0 26 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.954 107.3 52.4 -61.5 -50.4 4.9 45.0 -4.0 27 136 A I H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.847 98.8 66.4 -53.5 -38.7 7.4 43.4 -1.6 28 137 A K H 3< S+ 0 0 69 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.795 111.7 33.7 -53.8 -31.2 4.9 44.2 1.3 29 138 A N T << S+ 0 0 111 -3,-1.6 2,-0.3 -4,-0.7 -1,-0.3 -0.272 102.8 76.5-131.5 54.5 2.5 41.8 -0.2 30 139 A I S < S- 0 0 10 -3,-1.2 2,-0.3 46,-0.1 49,-0.1 -0.961 77.0-111.1-141.4 158.5 4.3 38.9 -1.8 31 140 A K > - 0 0 137 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.660 30.8-119.4 -85.3 151.2 6.1 35.9 -0.3 32 141 A W G > S+ 0 0 88 1,-0.3 3,-1.0 -2,-0.3 6,-0.2 0.781 111.1 61.6 -63.7 -28.2 9.9 35.9 -0.6 33 142 A N G 3 S+ 0 0 83 1,-0.2 -1,-0.3 4,-0.1 4,-0.2 0.687 88.1 73.5 -73.0 -16.9 9.9 32.7 -2.6 34 143 A Q G < S+ 0 0 33 -3,-1.5 -24,-1.9 2,-0.1 2,-0.6 0.716 76.8 88.5 -68.2 -24.5 7.8 34.4 -5.4 35 144 A I B X S-a 10 0A 5 -3,-1.0 3,-1.0 -4,-0.4 2,-0.3 -0.702 87.7-125.0 -74.4 119.6 10.9 36.4 -6.4 36 145 A N T 3 S- 0 0 60 -26,-3.1 -24,-0.4 -2,-0.6 -2,-0.1 -0.512 82.2 -7.0 -75.9 129.7 12.7 34.2 -9.0 37 146 A G T > S+ 0 0 32 -2,-0.3 3,-1.0 -4,-0.2 -1,-0.2 0.815 80.9 162.3 59.2 34.9 16.3 33.4 -8.4 38 147 A L T < S+ 0 0 6 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.836 76.6 35.8 -55.2 -41.5 16.3 35.7 -5.4 39 148 A F T 3 S+ 0 0 65 2,-0.1 -1,-0.3 50,-0.1 2,-0.2 0.511 99.6 104.0 -90.2 -7.7 19.5 34.2 -3.9 40 149 A N S < S- 0 0 105 -3,-1.0 2,-1.0 1,-0.1 5,-0.1 -0.507 76.1-122.2 -76.2 141.7 21.0 33.5 -7.4 41 150 A Y + 0 0 98 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.765 50.5 155.6 -86.5 105.8 23.8 35.8 -8.6 42 151 A S > - 0 0 53 -2,-1.0 4,-2.6 -5,-0.1 5,-0.1 -0.763 62.6-112.8-120.0 165.2 22.5 37.2 -11.9 43 152 A T H > S+ 0 0 120 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.877 125.0 53.2 -57.3 -37.2 23.1 40.2 -14.1 44 153 A G H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.957 112.6 38.0 -62.1 -56.9 19.5 40.8 -12.9 45 154 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.836 113.7 57.9 -66.2 -34.1 20.2 40.5 -9.2 46 155 A Q H X S+ 0 0 49 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.951 110.1 44.1 -56.4 -49.9 23.5 42.3 -9.7 47 156 A K H < S+ 0 0 104 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.847 114.9 50.7 -61.2 -37.6 21.6 45.2 -11.2 48 157 A F H >< S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.925 120.4 30.1 -71.7 -51.8 18.9 45.0 -8.4 49 158 A F H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.565 107.4 74.6 -85.9 -8.6 21.2 45.0 -5.4 50 159 A G T 3< S+ 0 0 31 -4,-1.3 2,-0.9 -5,-0.3 -1,-0.2 0.656 76.9 87.7 -75.9 -16.7 23.9 47.1 -7.2 51 160 A D <> - 0 0 42 -3,-0.5 4,-2.1 -4,-0.4 3,-0.4 -0.762 61.4-167.6 -88.2 101.5 21.6 50.1 -6.8 52 161 A K H > S+ 0 0 123 -2,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.774 89.1 54.5 -60.1 -30.9 22.5 51.7 -3.3 53 162 A N H > S+ 0 0 114 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.851 106.9 50.5 -70.9 -37.0 19.4 53.9 -3.6 54 163 A R H > S+ 0 0 14 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.936 110.6 46.7 -68.0 -48.3 17.1 50.9 -4.2 55 164 A V H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.917 111.2 53.3 -60.8 -39.5 18.4 48.9 -1.2 56 165 A Q H X S+ 0 0 48 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.869 106.8 52.7 -61.7 -37.5 18.1 52.0 1.0 57 166 A A H X S+ 0 0 14 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.915 109.1 49.4 -61.8 -42.4 14.5 52.3 -0.2 58 167 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.911 110.8 49.5 -64.4 -41.5 14.0 48.7 0.9 59 168 A I H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.899 111.2 49.7 -60.0 -43.9 15.6 49.5 4.3 60 169 A N H X S+ 0 0 80 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.879 108.8 51.8 -64.5 -42.9 13.3 52.5 4.7 61 170 A A H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.883 110.1 49.0 -62.6 -40.7 10.2 50.5 3.8 62 171 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.899 108.6 54.2 -63.0 -42.6 11.1 47.9 6.5 63 172 A Q H X S+ 0 0 75 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.847 110.2 48.0 -57.5 -35.0 11.7 50.8 9.0 64 173 A E H X S+ 0 0 97 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.872 111.2 47.0 -76.7 -38.0 8.2 52.0 8.2 65 174 A S H X S+ 0 0 3 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.685 107.8 59.1 -78.6 -18.1 6.5 48.6 8.5 66 175 A G H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.779 105.8 48.9 -73.3 -29.2 8.4 48.1 11.8 67 176 A R H < S+ 0 0 164 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.721 121.9 33.4 -78.6 -23.3 6.7 51.2 13.1 68 177 A T H < S+ 0 0 52 -4,-0.8 -2,-0.2 6,-0.1 -1,-0.1 0.459 79.8 125.4-117.7 -5.3 3.2 50.1 12.0 69 178 A Y < - 0 0 2 -4,-1.1 52,-0.3 5,-0.2 2,-0.2 -0.305 38.0-164.7 -68.5 144.7 3.0 46.3 12.4 70 179 A T - 0 0 67 3,-2.2 -1,-0.1 50,-0.1 -2,-0.1 -0.661 37.2 -94.7-121.9 174.7 0.1 44.9 14.4 71 180 A A S S+ 0 0 37 -2,-0.2 57,-0.5 1,-0.2 58,-0.3 0.788 125.5 35.7 -63.3 -28.6 -0.7 41.5 16.0 72 181 A N S S+ 0 0 153 1,-0.2 2,-0.4 56,-0.1 -1,-0.2 0.761 119.0 48.2 -94.0 -32.0 -2.8 40.5 13.0 73 182 A D - 0 0 59 1,-0.1 -3,-2.2 2,-0.0 -1,-0.2 -0.956 53.8-169.6-120.9 129.5 -0.8 42.1 10.2 74 183 A X > - 0 0 28 -2,-0.4 3,-1.6 -5,-0.2 -5,-0.2 0.566 31.1-137.5 -92.0 -11.3 2.9 41.8 9.7 75 184 A K T 3 - 0 0 62 1,-0.3 -46,-0.1 2,-0.1 -10,-0.1 0.823 62.6 -66.6 53.9 37.4 3.2 44.5 7.0 76 185 A G T 3> S+ 0 0 7 -48,-0.1 4,-3.0 1,-0.1 3,-0.4 0.549 90.2 144.1 68.0 11.4 5.6 42.3 5.0 77 186 A I H <> S+ 0 0 1 -3,-1.6 4,-2.2 1,-0.3 5,-0.2 0.849 72.2 53.7 -50.2 -37.7 8.4 42.5 7.5 78 187 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.944 111.8 42.8 -62.1 -47.8 9.3 38.9 6.7 79 188 A T H > S+ 0 0 6 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.945 112.4 52.9 -67.7 -46.3 9.6 39.6 3.0 80 189 A F H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.898 112.8 46.2 -51.2 -43.5 11.5 42.9 3.5 81 190 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.870 110.6 50.7 -71.5 -39.5 14.0 41.0 5.7 82 191 A E H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 109.6 51.4 -65.6 -42.3 14.4 38.1 3.3 83 192 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.925 112.7 45.8 -57.4 -47.6 15.1 40.4 0.5 84 193 A L H X S+ 0 0 6 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.912 108.7 54.9 -64.2 -41.2 17.7 42.2 2.6 85 194 A R H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 106.9 52.8 -57.8 -36.8 19.3 38.9 3.7 86 195 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.911 106.0 54.3 -64.7 -43.9 19.6 38.1 -0.0 87 196 A G H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.970 112.4 41.0 -49.3 -62.2 21.4 41.4 -0.6 88 197 A F H X S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.823 112.7 56.1 -61.0 -37.2 24.1 40.7 2.1 89 198 A Y H X S+ 0 0 100 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.955 112.1 40.1 -57.5 -56.5 24.4 37.1 1.1 90 199 A L H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 7,-0.2 0.832 113.0 57.6 -63.8 -33.8 25.3 37.8 -2.5 91 200 A G H < S+ 0 0 3 -4,-2.1 10,-0.3 -5,-0.3 -1,-0.2 0.849 105.4 50.6 -65.0 -38.5 27.4 40.8 -1.3 92 201 A Y H < S+ 0 0 144 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.920 120.6 33.1 -60.6 -47.6 29.5 38.4 0.8 93 202 A Y H < S+ 0 0 142 -4,-1.7 2,-0.5 -5,-0.1 -2,-0.2 0.842 112.6 58.5 -84.4 -37.2 30.1 36.0 -2.1 94 203 A N S >< S- 0 0 46 -4,-3.1 3,-1.3 -5,-0.2 2,-0.1 -0.848 71.3-134.1-109.9 129.3 30.3 38.2 -5.2 95 204 A D T 3 S+ 0 0 134 -2,-0.5 -3,-0.1 1,-0.2 -2,-0.0 -0.460 93.7 50.2 -68.2 146.5 32.6 41.1 -6.0 96 205 A G T 3 S+ 0 0 47 -2,-0.1 -1,-0.2 -5,-0.1 3,-0.1 0.020 110.1 54.8 104.5 -25.4 30.8 44.0 -7.4 97 206 A L S X S+ 0 0 0 -3,-1.3 3,-2.7 -7,-0.2 4,-0.4 0.161 73.5 116.4-111.6 11.2 28.3 43.8 -4.6 98 207 A S G >> + 0 0 66 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.690 60.2 71.2 -56.8 -24.9 31.2 44.0 -2.1 99 208 A Y G 34 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.2 6,-0.3 0.745 91.8 61.4 -61.7 -23.5 29.9 47.4 -0.7 100 209 A L G <4 S+ 0 0 2 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.719 96.5 59.2 -74.7 -22.1 27.1 45.2 0.8 101 210 A N T <4 S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.770 80.8 104.4 -73.2 -30.2 29.8 43.3 2.8 102 211 A D >X - 0 0 82 -4,-0.8 4,-1.9 -3,-0.2 3,-1.1 -0.372 68.2-144.3 -62.4 122.7 31.0 46.5 4.6 103 212 A R H 3> S+ 0 0 99 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.855 99.4 66.0 -53.1 -38.8 29.8 46.7 8.2 104 213 A N H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.860 106.1 41.1 -52.1 -41.0 29.4 50.5 7.7 105 214 A F H X4 S+ 0 0 25 -3,-1.1 3,-2.0 -6,-0.3 -1,-0.2 0.891 108.8 60.0 -72.4 -40.9 26.7 49.9 5.2 106 215 A Q H >< S+ 0 0 18 -4,-1.9 3,-2.1 1,-0.3 38,-0.4 0.813 91.1 69.2 -57.7 -31.4 25.1 47.1 7.2 107 216 A D G >< S+ 0 0 61 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.680 78.8 80.7 -62.6 -19.0 24.5 49.5 10.1 108 217 A K G < S+ 0 0 96 -3,-2.0 4,-0.3 1,-0.3 -1,-0.3 0.644 84.9 60.7 -62.0 -17.2 21.9 51.2 7.9 109 218 A C G X> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 3,-0.7 0.681 82.7 83.0 -80.2 -21.3 19.5 48.5 9.0 110 219 A I H <> S+ 0 0 12 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.849 84.6 54.8 -55.8 -42.8 19.7 49.5 12.7 111 220 A P H 3> S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.862 111.2 47.1 -61.1 -34.9 17.1 52.3 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44.7 19.5 122 231 A F < + 0 0 12 -3,-2.4 2,-0.3 -5,-0.2 -1,-0.1 -0.523 56.6 96.8 -76.8 78.5 7.5 43.7 19.9 123 232 A K S S- 0 0 111 -2,-2.1 2,-0.2 3,-0.1 10,-0.2 -0.970 83.3 -92.6-156.6 156.1 6.7 40.8 22.2 124 233 A L S S+ 0 0 6 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.516 79.5 94.0 -70.5 149.4 6.2 37.0 22.0 125 234 A G + 0 0 28 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.636 68.8 32.1 168.3-105.8 2.5 36.2 21.6 126 235 A T S > S- 0 0 56 -2,-0.2 4,-2.5 -3,-0.1 -1,-0.3 -0.345 85.3 -97.1 -83.0 166.9 0.7 35.6 18.3 127 236 A A H > S+ 0 0 53 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.866 123.7 49.9 -51.1 -46.4 2.2 34.0 15.1 128 237 A V H > S+ 0 0 21 -57,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.959 111.7 46.9 -57.2 -54.5 2.9 37.4 13.5 129 238 A Q H > S+ 0 0 27 -58,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.877 115.9 46.5 -56.0 -41.0 4.6 38.8 16.7 130 239 A D H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.935 111.4 50.0 -68.6 -49.5 6.7 35.6 16.9 131 240 A E H X S+ 0 0 76 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.863 106.9 57.2 -54.5 -41.3 7.6 35.5 13.2 132 241 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.909 108.7 45.2 -56.0 -46.2 8.7 39.2 13.5 133 242 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.923 113.0 50.8 -64.7 -45.4 11.2 38.3 16.2 134 243 A T H X S+ 0 0 21 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.929 112.1 47.4 -54.8 -48.7 12.3 35.2 14.2 135 244 A S H X S+ 0 0 7 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.914 110.3 52.3 -61.8 -45.7 12.9 37.5 11.1 136 245 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.894 106.8 52.2 -54.9 -46.1 14.7 40.1 13.2 137 246 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.884 110.4 48.5 -62.8 -39.4 17.2 37.6 14.6 138 247 A K H X S+ 0 0 79 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.781 109.8 51.8 -69.9 -31.3 18.0 36.3 11.1 139 248 A L H >X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 3,-0.5 0.921 107.5 50.7 -74.4 -44.3 18.6 39.8 9.8 140 249 A I H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 104.4 62.2 -53.5 -42.6 20.9 40.7 12.6 141 250 A G H 3< S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.4 27.8 -48.1 -44.6 22.7 37.4 11.6 142 251 A N H << 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-4,-0.9 4,-0.4 -3,-0.5 -1,-0.3 0.648 91.6 64.8 -69.2 -14.2 16.1 45.9 23.5 153 262 A C T <> S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.5 3,-0.5 0.677 79.0 90.5 -77.7 -17.2 15.9 42.1 23.3 154 263 A V H <> S+ 0 0 21 -3,-1.3 4,-2.4 -4,-0.4 5,-0.2 0.854 81.3 50.7 -46.9 -52.2 15.9 42.1 27.2 155 264 A P H > S+ 0 0 78 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.913 109.7 52.4 -57.6 -38.4 12.1 42.3 27.7 156 265 A V H > S+ 0 0 1 -3,-0.5 4,-1.9 -4,-0.4 -2,-0.2 0.870 109.5 48.6 -63.7 -39.2 11.6 39.4 25.2 157 266 A L H X S+ 0 0 6 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.912 113.2 47.3 -66.5 -42.1 14.1 37.2 27.2 158 267 A K H X S+ 0 0 97 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.900 110.5 52.3 -63.4 -43.3 12.3 38.1 30.5 159 268 A Q H X S+ 0 0 37 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.881 112.7 45.5 -61.4 -40.1 9.0 37.3 28.9 160 269 A F H >< S+ 0 0 2 -4,-1.9 3,-0.7 2,-0.2 7,-0.2 0.913 113.0 49.7 -68.3 -47.0 10.3 34.0 27.8 161 270 A R H >< S+ 0 0 68 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.982 109.4 51.2 -56.5 -58.2 11.9 33.3 31.2 162 271 A E H 3< S+ 0 0 142 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.647 120.3 36.3 -53.7 -19.7 8.7 34.1 33.1 163 272 A N T XX S+ 0 0 54 -3,-0.7 4,-3.0 -4,-0.6 3,-1.0 0.001 78.5 134.1-122.7 31.1 6.8 31.8 30.8 164 273 A L H <> + 0 0 1 -3,-2.3 4,-2.1 1,-0.3 -2,-0.1 0.839 67.8 51.7 -52.9 -48.2 9.4 29.1 30.4 165 274 A N H 34 S+ 0 0 89 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.757 119.9 35.8 -69.1 -25.9 7.2 26.0 31.0 166 275 A Q H <4 S+ 0 0 137 -3,-1.0 4,-0.4 -6,-0.1 -2,-0.2 0.895 125.4 38.0 -83.6 -47.7 4.7 27.1 28.4 167 276 A Y H >< S+ 0 0 37 -4,-3.0 3,-1.4 -7,-0.2 7,-0.5 0.900 105.4 58.6 -78.5 -49.5 7.0 28.7 25.8 168 277 A A T 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.834 106.3 51.4 -54.6 -38.8 10.2 26.6 25.7 169 278 A P T 3 S+ 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.677 92.0 92.2 -70.4 -18.0 8.2 23.5 24.6 170 279 A D <> - 0 0 67 -3,-1.4 4,-2.8 -4,-0.4 5,-0.3 -0.698 69.8-150.0 -80.1 122.7 6.5 25.5 21.8 171 280 A Y H > S+ 0 0 179 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.900 93.6 42.8 -56.0 -49.6 8.4 25.1 18.6 172 281 A V H > S+ 0 0 64 2,-0.2 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1,-0.2 -1,-0.2 0.868 111.6 53.3 -61.2 -38.1 22.0 33.0 17.8 183 292 A G H X S+ 0 0 5 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.930 110.6 44.0 -62.0 -50.8 21.6 35.9 15.3 184 293 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.856 113.8 51.3 -63.4 -38.0 23.1 38.5 17.6 185 294 A E H X S+ 0 0 31 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.876 106.9 53.5 -70.6 -38.9 25.9 36.2 18.6 186 295 A F H X S+ 0 0 133 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.901 111.6 45.3 -61.9 -42.6 26.8 35.4 15.0 187 296 A D H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.888 116.1 46.6 -66.9 -40.5 27.1 39.2 14.1 188 297 A F H X S+ 0 0 1 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.922 112.6 46.7 -71.9 -46.2 29.1 39.9 17.3 189 298 A S H >< S+ 0 0 48 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.915 111.6 54.2 -61.9 -42.1 31.6 37.0 17.0 190 299 A G H >< S+ 0 0 40 -4,-1.9 3,-1.4 -5,-0.3 -2,-0.2 0.917 106.5 50.6 -54.7 -49.6 32.1 37.9 13.3 191 300 A A H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.736 114.5 43.6 -63.0 -26.6 33.0 41.5 14.0 192 301 A A T << S+ 0 0 10 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.123 74.7 135.5-105.9 21.2 35.6 40.5 16.7 193 302 A Y S < S- 0 0 181 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.798 93.0 -13.6 -44.9 -55.4 37.2 37.6 14.6 194 303 A E S S+ 0 0 157 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.296 114.0 106.9-129.8 3.8 40.8 38.4 15.3 195 304 A K S S- 0 0 122 -4,-0.1 2,-0.6 1,-0.1 5,-0.0 -0.467 85.9 -88.7 -81.0 155.5 40.4 41.9 16.7 196 305 A D > - 0 0 96 1,-0.2 3,-2.2 -2,-0.1 -1,-0.1 -0.562 32.2-142.8 -67.5 112.3 40.8 42.7 20.4 197 306 A V T 3 S+ 0 0 40 -2,-0.6 3,-0.2 1,-0.3 -1,-0.2 0.716 96.0 68.9 -49.5 -29.1 37.4 42.2 22.0 198 307 A K T 3 S+ 0 0 140 1,-0.2 2,-1.5 6,-0.0 -1,-0.3 0.851 88.9 66.8 -60.5 -36.2 38.0 45.2 24.3 199 308 A T S < S+ 0 0 90 -3,-2.2 -1,-0.2 3,-0.0 -3,-0.0 -0.543 75.9 116.0 -88.5 69.6 37.8 47.5 21.3 200 309 A X > - 0 0 18 -2,-1.5 3,-1.0 -3,-0.2 -8,-0.0 -0.998 68.8-129.7-135.3 139.6 34.1 47.0 20.5 201 310 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -55,-0.0 0.789 110.8 41.4 -52.6 -31.7 31.3 49.6 20.7 202 311 A W T > S+ 0 0 16 2,-0.1 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109 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.918 95.8 67.9 -61.4 -43.9 14.4 -5.0 19.8 406 515 A F S S- 0 0 55 -3,-0.1 2,-0.1 4,-0.1 -3,-0.0 -0.630 80.3-140.6 -79.0 131.4 17.7 -6.5 21.0 407 516 A S > - 0 0 40 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.324 34.5 -99.4 -73.3 172.4 18.0 -7.3 24.8 408 517 A L H > S+ 0 0 1 -9,-0.3 4,-2.0 1,-0.2 5,-0.2 0.915 121.9 52.4 -66.6 -42.7 21.4 -6.5 26.4 409 518 A E H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.954 109.5 49.2 -56.9 -51.3 22.6 -10.1 26.2 410 519 A E H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 110.8 48.9 -53.4 -48.3 21.9 -10.4 22.4 411 520 A L H X S+ 0 0 18 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.861 113.0 48.9 -64.0 -35.4 23.6 -7.2 21.6 412 521 A F H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.874 106.9 54.4 -69.9 -40.5 26.6 -8.3 23.6 413 522 A R H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.885 114.0 43.8 -60.2 -39.3 26.7 -11.7 21.9 414 523 A H H X S+ 0 0 22 -4,-2.1 4,-0.6 -5,-0.2 3,-0.5 0.935 118.8 39.9 -68.3 -51.5 26.8 -9.8 18.6 415 524 A E H >X S+ 0 0 29 -4,-2.6 3,-1.3 1,-0.2 4,-1.2 0.866 106.3 64.8 -73.6 -33.7 29.4 -7.2 19.6 416 525 A Y H 3X S+ 0 0 10 -4,-3.1 4,-1.9 1,-0.3 3,-0.3 0.848 93.5 63.9 -54.6 -34.9 31.5 -9.6 21.6 417 526 A T H 3X S+ 0 0 0 -4,-0.7 4,-3.1 -3,-0.5 -1,-0.3 0.846 97.3 54.6 -61.5 -33.0 32.1 -11.3 18.2 418 527 A H H S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.7 0.928 110.8 51.5 -66.5 -49.1 36.9 -12.0 19.0 421 530 A Q H X>S+ 0 0 1 -4,-3.1 5,-2.5 1,-0.2 4,-1.7 0.936 114.5 44.2 -51.3 -47.6 37.5 -11.1 15.3 422 531 A A H <5S+ 0 0 5 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.881 120.3 38.0 -71.5 -39.0 40.0 -8.4 16.3 423 532 A R H <5S+ 0 0 37 -4,-2.1 -73,-2.2 -5,-0.2 -72,-0.4 0.902 132.4 18.5 -77.6 -42.7 41.9 -10.4 18.9 424 533 A Y H <5S+ 0 0 14 -4,-2.9 -3,-0.2 -75,-0.2 -2,-0.2 0.576 128.1 32.1-111.8 -14.2 42.1 -13.8 17.4 425 534 A L T < S- 0 0 86 3,-0.4 3,-1.9 1,-0.1 2,-0.3 -0.447 77.3-112.8 -73.6 131.8 44.3 -3.1 13.6 430 539 A W T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -2,-0.2 -41,-0.1 -0.467 101.4 7.7 -66.2 122.9 40.7 -4.1 13.0 431 540 A G T 3 S+ 0 0 34 -2,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.432 119.2 79.6 88.5 3.5 39.4 -2.4 9.9 432 541 A Q S < S+ 0 0 146 -3,-1.9 -3,-0.4 5,-0.0 -2,-0.1 -0.263 71.6 68.9-146.0 49.9 42.8 -1.0 9.0 433 542 A G S > S- 0 0 21 -5,-0.1 3,-3.2 0, 0.0 4,-0.5 -0.796 98.3 -54.2-144.7-163.1 45.2 -3.4 7.3 434 543 A P G > S+ 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.844 128.3 58.4 -44.3 -45.1 45.7 -5.4 4.0 435 544 A F G 3 >S+ 0 0 5 1,-0.2 5,-0.7 2,-0.1 6,-0.3 0.620 107.3 48.2 -64.5 -10.5 42.3 -6.9 4.2 436 545 A Y G < 5S+ 0 0 55 -3,-3.2 -1,-0.2 3,-0.1 -6,-0.0 0.408 79.1 92.1-112.8 2.5 40.7 -3.4 4.3 437 546 A E T < 5S+ 0 0 168 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.1 0.922 103.7 26.7 -60.4 -44.2 42.5 -1.8 1.3 438 547 A K T 5S- 0 0 143 -4,-0.5 2,-1.7 -3,-0.0 3,-0.3 -0.774 105.4 -97.9-108.0 163.5 39.6 -3.1 -0.7 439 548 A N T 5S+ 0 0 83 -2,-0.3 49,-0.2 1,-0.2 -3,-0.1 -0.528 71.6 134.5 -85.2 75.5 36.1 -3.7 0.7 440 549 A R < + 0 0 28 -2,-1.7 4,-0.2 -5,-0.7 -1,-0.2 0.736 65.0 38.0 -96.8 -31.7 36.4 -7.5 1.2 441 550 A L S > S+ 0 0 1 -6,-0.3 4,-3.8 -3,-0.3 5,-0.4 0.340 76.5 104.8-113.2 5.9 35.0 -8.2 4.7 442 551 A T H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 5,-0.3 0.918 92.2 39.4 -54.6 -48.5 32.0 -5.9 5.1 443 552 A W H > S+ 0 0 5 43,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.921 120.6 48.5 -63.0 -40.9 29.5 -8.8 4.6 444 553 A F H > S+ 0 0 3 -4,-0.2 4,-3.3 2,-0.2 5,-0.3 0.919 109.3 47.6 -71.1 -50.4 31.8 -11.1 6.6 445 554 A D H X S+ 0 0 13 -4,-3.8 4,-1.1 2,-0.2 -1,-0.2 0.898 122.9 35.1 -57.7 -46.5 32.4 -8.9 9.7 446 555 A E H X S+ 0 0 45 -4,-1.5 4,-2.0 -5,-0.4 -2,-0.2 0.908 119.7 49.9 -78.5 -41.3 28.8 -8.0 10.1 447 556 A G H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.902 110.5 48.0 -63.7 -45.1 27.5 -11.4 8.9 448 557 A T H X S+ 0 0 1 -4,-3.3 4,-3.5 -5,-0.2 5,-0.3 0.869 109.2 56.6 -66.3 -33.9 29.7 -13.5 11.2 449 558 A A H X S+ 0 0 0 -4,-1.1 4,-1.6 -5,-0.3 -2,-0.2 0.944 108.5 43.9 -59.0 -51.5 28.7 -11.3 14.1 450 559 A E H < S+ 0 0 16 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.892 117.5 50.8 -59.1 -37.5 24.9 -11.9 13.6 451 560 A F H >< S+ 0 0 2 -4,-1.8 3,-2.4 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