==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-11 3SQ8 . COMPND 2 MOLECULE: TYROSYL-DNA PHOSPHODIESTERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.GAJEWSKI,S.W.WHITE . 1693 27 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1086 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 14.6 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 118 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.1 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 10 16 8 4 0 4 0 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 12 4 0 4 8 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 . 4 16 4 8 12 5 3 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 . 8 4 0 0 0 0 4 0 4 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 79 A G 0 0 99 0, 0.0 2,-0.1 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0-171.4 3.9 -18.3 0.9 2 80 A A - 0 0 28 178,-0.2 2,-0.3 134,-0.1 133,-0.2 -0.475 360.0-172.1 -71.1 145.6 1.5 -21.2 1.1 3 81 A V E -A 134 0A 55 131,-2.4 131,-2.9 -2,-0.1 2,-0.4 -0.999 23.3-137.6-146.0 140.8 0.0 -22.1 -2.3 4 82 A F E -A 133 0A 5 -2,-0.3 2,-0.3 129,-0.2 129,-0.2 -0.832 28.0-174.5 -90.5 135.6 -2.7 -24.5 -3.7 5 83 A K E -A 132 0A 60 127,-2.5 127,-3.0 -2,-0.4 2,-0.5 -0.967 25.8-118.8-131.5 152.3 -1.7 -26.3 -6.9 6 84 A L E -Ab 131 18A 9 11,-1.9 13,-1.9 -2,-0.3 2,-0.3 -0.754 34.2-118.2 -87.9 128.9 -3.6 -28.5 -9.3 7 85 A M E - b 0 19A 3 123,-2.5 123,-0.4 -2,-0.5 13,-0.2 -0.535 26.4-125.9 -66.0 126.1 -2.2 -32.1 -9.6 8 86 A K - 0 0 91 11,-3.3 2,-0.4 -2,-0.3 13,-0.2 -0.359 24.1-147.5 -64.3 149.0 -1.1 -32.9 -13.1 9 87 A S > - 0 0 4 1,-0.1 4,-2.2 11,-0.1 117,-0.1 -0.982 18.9-134.1-120.8 142.7 -2.5 -36.1 -14.6 10 88 A D T 4 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 117,-0.1 0.777 110.8 40.5 -56.9 -26.8 -1.0 -38.6 -17.0 11 89 A F T 4 S+ 0 0 64 115,-0.4 3,-0.3 1,-0.1 -1,-0.2 0.861 118.1 41.0 -93.0 -42.8 -4.3 -38.5 -18.9 12 90 A Y T 4 S+ 0 0 11 114,-0.3 2,-0.5 1,-0.2 -2,-0.2 0.799 118.8 43.0 -80.8 -29.1 -5.3 -34.8 -18.8 13 91 A E < + 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.0 -0.729 67.6 164.4-116.4 77.3 -1.8 -33.3 -19.4 14 92 A R 0 0 177 -2,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.943 360.0 360.0 -58.4 -56.0 -0.3 -35.4 -22.2 15 93 A E 0 0 139 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.834 360.0 360.0-105.7 360.0 2.6 -33.2 -23.4 16 ! 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 17 101 A D 0 0 133 0, 0.0 -11,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -67.7 0.3 -23.6 -11.3 18 102 A M E -b 6 0A 28 -13,-0.2 2,-0.3 113,-0.0 -11,-0.2 -0.835 360.0-168.9-125.4 154.3 0.5 -27.4 -11.5 19 103 A I E -b 7 0A 9 -13,-1.9 -11,-3.3 -2,-0.3 2,-0.3 -0.952 6.8-160.9-144.0 153.8 2.4 -30.1 -9.5 20 104 A T >> - 0 0 34 -2,-0.3 4,-1.3 -13,-0.2 3,-0.5 -0.908 37.5-113.6-127.4 161.1 3.2 -33.8 -9.7 21 105 A L H 3> S+ 0 0 5 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.771 120.2 64.2 -60.2 -26.2 4.3 -36.2 -7.0 22 106 A K H 3> S+ 0 0 138 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 99.9 49.1 -67.2 -37.3 7.5 -36.2 -8.9 23 107 A D H <4 S+ 0 0 93 -3,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.819 116.2 44.6 -66.3 -33.4 8.0 -32.5 -8.1 24 108 A I H < S+ 0 0 1 -4,-1.3 3,-0.2 1,-0.1 -2,-0.2 0.944 130.3 20.2 -78.7 -46.0 7.3 -33.3 -4.5 25 109 A F H < S+ 0 0 0 -4,-3.4 25,-1.1 1,-0.2 -3,-0.2 0.626 109.9 72.4 -99.4 -14.2 9.5 -36.4 -4.1 26 110 A G < + 0 0 20 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.512 63.4 124.1 -86.3 -4.7 12.0 -36.2 -7.0 27 111 A T > - 0 0 51 -4,-0.3 3,-1.6 -3,-0.2 23,-0.3 -0.339 58.7-142.3 -62.5 130.2 14.1 -33.3 -5.7 28 112 A E T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.822 101.8 57.1 -61.7 -28.9 17.9 -34.2 -5.4 29 113 A T T 3 S+ 0 0 55 77,-0.1 78,-2.3 24,-0.0 2,-0.4 0.452 78.0 116.9 -82.2 -1.1 18.0 -32.2 -2.1 30 114 A L E < +C 106 0A 2 -3,-1.6 76,-0.2 76,-0.2 3,-0.1 -0.576 33.1 170.8 -71.9 122.3 15.3 -34.3 -0.4 31 115 A K E + 0 0 75 74,-2.9 23,-2.7 -2,-0.4 24,-1.4 0.842 62.3 3.9 -98.2 -47.7 16.7 -36.1 2.6 32 116 A R E -Cd 105 55A 34 73,-1.9 73,-2.7 22,-0.2 2,-0.4 -1.000 54.8-160.8-143.0 138.1 13.6 -37.5 4.3 33 117 A S E -Cd 104 56A 0 22,-1.9 24,-2.3 -2,-0.3 2,-0.5 -0.983 3.8-162.3-114.3 138.8 9.8 -37.8 3.7 34 118 A I E -Cd 103 57A 0 69,-2.8 69,-2.6 -2,-0.4 2,-0.3 -0.977 21.7-165.8-112.6 124.2 7.3 -38.5 6.3 35 119 A L E -Cd 102 58A 0 22,-3.0 24,-2.6 -2,-0.5 2,-0.4 -0.840 20.4-176.1-121.7 148.8 4.0 -39.7 4.8 36 120 A F E +Cd 101 59A 0 65,-2.0 65,-2.0 -2,-0.3 2,-0.3 -0.986 26.0 140.8-139.4 131.8 0.3 -40.1 5.9 37 121 A S - 0 0 0 22,-1.0 24,-0.4 -2,-0.4 62,-0.2 -0.965 53.9-124.6-165.2 167.8 -2.3 -41.5 3.5 38 122 A F S S+ 0 0 33 60,-0.3 2,-0.3 1,-0.3 23,-0.2 0.719 97.7 23.8 -90.7 -30.1 -5.3 -43.8 3.3 39 123 A Q - 0 0 68 59,-0.1 81,-1.2 21,-0.1 2,-0.4 -0.999 63.5-166.3-143.7 139.3 -3.9 -46.0 0.5 40 124 A Y E -jk 65 120B 1 24,-2.4 26,-2.5 -2,-0.3 2,-0.7 -0.992 11.4-173.3-130.7 123.5 -0.4 -46.8 -0.7 41 125 A E E > -j 66 0B 43 79,-2.6 4,-2.8 -2,-0.4 3,-0.4 -0.913 19.4-163.4-112.0 93.7 0.6 -48.5 -3.9 42 126 A L H > S+ 0 0 13 24,-1.4 4,-3.1 -2,-0.7 5,-0.3 0.811 81.9 52.3 -57.7 -37.0 4.3 -48.8 -3.1 43 127 A D H > S+ 0 0 42 23,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.911 114.8 43.9 -73.0 -33.5 5.6 -49.4 -6.6 44 128 A F H 4 S+ 0 0 27 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.934 120.1 42.9 -60.5 -50.2 3.7 -46.3 -7.9 45 129 A L H >< S+ 0 0 0 -4,-2.8 3,-2.0 75,-0.3 4,-0.3 0.938 110.8 50.7 -67.3 -50.5 4.8 -44.2 -4.9 46 130 A L H >< S+ 0 0 1 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.786 99.4 65.7 -69.2 -22.2 8.5 -45.2 -4.6 47 131 A R T 3< S+ 0 0 116 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.554 90.8 68.8 -70.0 -8.7 9.2 -44.6 -8.3 48 132 A Q T < S+ 0 0 33 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.669 86.4 88.5 -79.7 -18.9 8.5 -40.9 -7.5 49 133 A F S < S- 0 0 19 -3,-1.4 -23,-0.2 -4,-0.3 2,-0.2 -0.460 74.8-120.8 -89.3 156.0 11.7 -40.5 -5.4 50 134 A H > - 0 0 60 -25,-1.1 3,-1.8 -23,-0.3 -23,-0.1 -0.611 29.3-115.0 -81.0 148.6 15.3 -39.5 -6.2 51 135 A Q T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 -23,-0.0 0.741 110.1 70.7 -56.3 -28.4 18.1 -42.0 -5.4 52 136 A N T 3 + 0 0 88 -25,-0.0 -1,-0.3 2,-0.0 -24,-0.1 0.643 68.7 119.1 -66.0 -15.6 19.5 -39.5 -2.9 53 137 A V < - 0 0 1 -3,-1.8 -22,-0.2 1,-0.1 -21,-0.2 -0.274 42.7-170.5 -61.1 134.2 16.6 -40.0 -0.4 54 138 A E + 0 0 114 -23,-2.7 2,-0.3 1,-0.3 -22,-0.2 0.826 64.2 11.4 -92.8 -37.9 17.8 -41.3 3.0 55 139 A N E -d 32 0A 45 -24,-1.4 -22,-1.9 2,-0.0 2,-0.4 -0.999 48.1-170.8-145.3 140.9 14.6 -42.2 4.8 56 140 A I E -de 33 84A 0 27,-2.3 29,-2.7 -2,-0.3 2,-0.6 -0.900 12.6-165.4-129.8 105.8 10.8 -42.6 4.0 57 141 A T E -de 34 85A 0 -24,-2.3 -22,-3.0 -2,-0.4 2,-0.5 -0.820 9.0-161.3 -93.7 123.1 8.7 -43.0 7.0 58 142 A I E -de 35 86A 1 27,-3.2 29,-2.8 -2,-0.6 2,-0.6 -0.905 9.4-167.6-112.4 117.8 5.2 -44.3 6.1 59 143 A V E +de 36 87A 0 -24,-2.6 -22,-1.0 -2,-0.5 2,-0.3 -0.944 30.9 146.1-102.0 122.3 2.2 -43.9 8.4 60 144 A G E - e 0 88A 0 27,-2.2 29,-2.9 -2,-0.6 2,-0.4 -0.984 51.3 -91.0-154.2 164.8 -0.7 -46.0 7.1 61 145 A Q E > - e 0 89A 33 -24,-0.4 3,-2.0 -2,-0.3 4,-0.3 -0.614 53.9-102.3 -77.3 130.3 -3.7 -48.2 8.0 62 146 A K T 3 S+ 0 0 123 27,-3.2 29,-0.2 -2,-0.4 -1,-0.1 -0.285 109.3 25.6 -54.0 129.0 -3.0 -51.9 8.3 63 147 A G T 3 S+ 0 0 75 2,-0.1 -1,-0.3 27,-0.1 -2,-0.0 0.484 103.4 83.6 95.5 3.7 -4.1 -53.6 5.1 64 148 A T < + 0 0 13 -3,-2.0 -24,-2.4 1,-0.1 2,-0.9 0.390 64.2 92.3-115.8 -0.7 -3.8 -50.6 2.8 65 149 A I E -j 40 0B 27 -4,-0.3 -24,-0.2 -26,-0.2 -2,-0.1 -0.830 64.2-155.5-100.6 97.8 -0.0 -50.8 2.0 66 150 A M E -j 41 0B 99 -26,-2.5 -24,-1.4 -2,-0.9 -23,-0.2 -0.627 12.7-141.9 -70.9 117.0 0.4 -52.8 -1.1 67 151 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.298 24.8 -99.2 -73.6 165.8 3.9 -54.4 -1.2 68 152 A I - 0 0 22 -26,-0.1 2,-0.1 -25,-0.1 5,-0.1 -0.749 35.6-125.6 -87.5 128.5 5.9 -54.6 -4.5 69 153 A E >> - 0 0 100 -2,-0.4 4,-1.5 1,-0.1 3,-1.4 -0.471 20.1-117.2 -71.4 147.3 5.8 -58.0 -6.2 70 154 A A T 34 S+ 0 0 88 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.836 116.8 53.8 -53.9 -37.9 9.1 -59.6 -7.0 71 155 A R T 34 S+ 0 0 217 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.733 110.0 48.2 -71.4 -21.9 8.3 -59.5 -10.8 72 156 A A T <4 S+ 0 0 33 -3,-1.4 -2,-0.2 2,-0.0 -1,-0.2 0.673 92.8 102.3 -86.9 -23.9 7.7 -55.7 -10.4 73 157 A M < + 0 0 53 -4,-1.5 2,-0.3 -3,-0.1 3,-0.0 -0.219 46.5 176.3 -57.0 147.8 10.9 -55.1 -8.5 74 158 A D > - 0 0 66 1,-0.0 4,-2.4 0, 0.0 5,-0.2 -0.913 46.3 -96.1-145.8 169.2 13.9 -53.7 -10.2 75 159 A A H > S+ 0 0 82 -2,-0.3 4,-1.6 1,-0.2 -2,-0.0 0.867 122.0 51.0 -60.1 -39.0 17.4 -52.7 -8.8 76 160 A T H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.946 112.2 45.1 -60.3 -51.7 16.4 -49.0 -8.4 77 161 A L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.860 107.4 58.6 -63.1 -40.0 13.2 -49.8 -6.4 78 162 A A H X S+ 0 0 31 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.873 105.8 51.3 -56.4 -38.8 15.0 -52.4 -4.3 79 163 A V H >< S+ 0 0 59 -4,-1.6 3,-0.5 -3,-0.3 4,-0.4 0.959 112.3 43.5 -62.8 -52.0 17.4 -49.6 -3.2 80 164 A I H >< S+ 0 0 2 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.862 106.1 64.2 -62.2 -37.9 14.6 -47.1 -2.2 81 165 A L H >< S+ 0 0 66 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.862 94.9 57.8 -57.2 -38.6 12.7 -49.9 -0.4 82 166 A K T << S+ 0 0 177 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.657 101.4 58.4 -66.1 -16.8 15.4 -50.4 2.2 83 167 A K T < S+ 0 0 55 -3,-1.6 -27,-2.3 -4,-0.4 2,-0.4 0.488 86.1 104.2 -87.3 -6.3 15.0 -46.7 3.1 84 168 A V E < -e 56 0A 34 -3,-1.6 2,-0.5 -4,-0.3 -27,-0.2 -0.652 49.6-168.8 -86.0 129.4 11.3 -47.2 4.0 85 169 A K E -e 57 0A 85 -29,-2.7 -27,-3.2 -2,-0.4 2,-0.4 -0.979 14.1-148.0-113.4 125.0 10.2 -47.4 7.6 86 170 A L E -e 58 0A 65 -2,-0.5 2,-0.5 -29,-0.2 -27,-0.2 -0.756 16.5-175.3 -96.9 134.3 6.6 -48.5 8.2 87 171 A I E -e 59 0A 4 -29,-2.8 -27,-2.2 -2,-0.4 2,-0.4 -0.913 18.9-162.5-123.4 99.2 4.3 -47.4 11.0 88 172 A E E -e 60 0A 76 -2,-0.5 2,-0.5 -29,-0.2 -27,-0.2 -0.714 5.3-158.1 -91.3 133.9 1.0 -49.4 10.7 89 173 A I E -e 61 0A 11 -29,-2.9 -27,-3.2 -2,-0.4 2,-0.8 -0.934 9.3-145.7-108.4 126.4 -2.1 -48.3 12.4 90 174 A T - 0 0 112 -2,-0.5 -29,-0.1 -29,-0.2 -27,-0.1 -0.858 22.0-155.2 -91.2 112.7 -4.8 -50.9 13.2 91 175 A M - 0 0 26 -2,-0.8 3,-0.1 -29,-0.2 4,-0.1 -0.639 14.7-115.3 -87.0 142.9 -8.2 -49.1 12.8 92 176 A P > - 0 0 68 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.133 54.5 -71.2 -54.2 166.0 -11.4 -50.2 14.5 93 177 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.327 121.9 17.7 -61.0 152.4 -14.3 -51.3 12.2 94 178 A F T 3 S+ 0 0 185 1,-0.2 2,-0.3 -3,-0.1 279,-0.1 0.862 105.7 113.6 50.9 40.3 -15.9 -48.6 10.2 95 179 A A < - 0 0 8 -3,-0.8 2,-0.4 -4,-0.1 -1,-0.2 -0.997 47.1-163.9-142.2 138.0 -12.9 -46.3 10.8 96 180 A S - 0 0 31 -2,-0.3 279,-1.8 267,-0.1 2,-1.3 -0.968 28.0-137.8-128.6 137.2 -10.3 -45.0 8.4 97 181 A H B +l 375 0C 0 -2,-0.4 -36,-0.3 277,-0.2 279,-0.1 -0.788 45.7 160.8 -81.4 89.7 -6.9 -43.4 8.7 98 182 A X + 0 0 22 277,-2.1 -60,-0.3 -2,-1.3 278,-0.2 0.663 21.3 119.3-103.4 -15.1 -8.0 -40.9 6.0 99 183 A T - 0 0 0 276,-0.8 2,-0.4 -62,-0.2 277,-0.1 -0.122 45.1-159.8 -45.7 133.0 -5.4 -38.1 6.6 100 184 A K + 0 0 3 277,-0.3 2,-0.3 -63,-0.2 -63,-0.2 -0.999 28.3 149.3-116.7 131.3 -3.1 -37.2 3.7 101 185 A L E -C 36 0A 0 -65,-2.0 -65,-2.0 -2,-0.4 2,-0.4 -0.970 27.4-164.2-164.4 135.4 0.0 -35.4 4.8 102 186 A I E -CF 35 114A 0 12,-2.3 12,-2.3 -2,-0.3 2,-0.5 -0.999 1.7-172.0-129.5 128.7 3.6 -35.1 3.6 103 187 A I E -CF 34 113A 1 -69,-2.6 -69,-2.8 -2,-0.4 2,-0.3 -0.977 14.6-168.4-121.1 110.1 6.5 -33.7 5.7 104 188 A N E -CF 33 112A 0 8,-3.1 8,-1.8 -2,-0.5 2,-0.4 -0.795 9.0-161.9-100.4 141.6 9.7 -33.3 3.7 105 189 A F E -CF 32 111A 16 -73,-2.7 -74,-2.9 -2,-0.3 -73,-1.9 -0.993 13.4-156.0-123.8 134.5 13.2 -32.5 5.1 106 190 A Y E > -C 30 0A 22 4,-3.0 3,-1.3 -2,-0.4 -76,-0.2 -0.542 29.5-100.5-110.3 168.3 15.8 -31.2 2.8 107 191 A D T 3 S+ 0 0 81 -78,-2.3 -77,-0.1 1,-0.3 -1,-0.1 0.876 116.1 51.4 -49.9 -48.8 19.7 -31.2 2.8 108 192 A N T 3 S- 0 0 106 -79,-0.1 -1,-0.3 1,-0.1 -79,-0.0 0.070 126.4 -89.6 -86.2 21.7 20.1 -27.7 4.1 109 193 A G S < S+ 0 0 24 -3,-1.3 31,-2.7 1,-0.3 2,-0.1 0.494 83.2 139.6 83.6 2.6 17.8 -28.0 7.1 110 194 A E E - 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0 0 1 -123,-0.4 -123,-2.5 202,-0.2 2,-0.3 -0.954 9.0-161.0-139.3 146.8 -6.7 -33.7 -7.3 131 215 A V E -A 6 0A 0 -2,-0.3 -14,-2.7 -125,-0.2 -13,-0.4 -0.839 6.2-147.7-124.8 167.0 -5.1 -30.7 -5.7 132 216 A C E -AH 5 116A 0 -127,-3.0 -127,-2.5 -2,-0.3 2,-0.4 -0.967 4.8-150.6-137.4 125.7 -2.1 -30.1 -3.4 133 217 A W E -AH 4 115A 0 -18,-2.1 -18,-2.3 -2,-0.4 2,-0.4 -0.814 19.9-161.7 -85.1 133.6 -1.7 -27.5 -0.7 134 218 A C E -AH 3 114A 1 -131,-2.9 -131,-2.4 -2,-0.4 -20,-0.2 -0.977 8.8-137.2-125.1 126.0 2.0 -26.6 -0.3 135 219 A S - 0 0 2 -22,-3.2 2,-0.1 -2,-0.4 3,-0.1 -0.205 31.0 -96.4 -71.9 164.3 3.3 -24.9 2.8 136 220 A P - 0 0 15 0, 0.0 -23,-0.3 0, 0.0 2,-0.3 -0.424 60.0 -78.6 -66.8 163.6 5.8 -22.0 2.7 137 221 A L - 0 0 68 -25,-0.1 2,-0.3 -2,-0.1 -25,-0.2 -0.506 54.1-161.9 -69.1 126.7 9.4 -23.2 3.1 138 222 A L E -G 111 0A 0 -27,-3.2 -27,-3.0 -2,-0.3 2,-0.4 -0.719 4.3-142.5-107.1 159.2 10.2 -23.8 6.8 139 223 A K E -GI 110 177A 111 38,-0.7 38,-3.0 -29,-0.3 2,-0.3 -0.974 20.2-117.3-125.1 137.9 13.7 -24.1 8.5 140 224 A I E + I 0 176A 78 -31,-2.7 36,-0.3 -2,-0.4 2,-0.3 -0.599 67.9 119.4 -62.3 128.6 14.9 -26.3 11.3 141 225 A G S S- 0 0 35 34,-2.3 -2,-0.1 -2,-0.3 -32,-0.0 -0.865 70.2 -68.9 175.3 159.0 15.8 -23.7 14.0 142 226 A K - 0 0 195 -2,-0.3 2,-0.3 1,-0.1 35,-0.1 -0.186 57.6-118.7 -56.4 151.9 14.8 -22.7 17.5 143 227 A E - 0 0 81 1,-0.2 -1,-0.1 34,-0.1 34,-0.1 -0.671 21.8-165.5-100.4 155.1 11.4 -21.3 17.8 144 228 A G + 0 0 63 1,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.499 67.4 4.9 -93.0-114.0 10.2 -17.9 18.9 145 229 A L S S- 0 0 145 1,-0.1 -1,-0.4 34,-0.0 34,-0.0 -0.317 91.3 -87.8 -70.6 153.2 6.6 -17.5 19.7 146 230 A P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 37.4-147.9 -57.9 139.9 4.1 -20.4 19.7 147 231 A V >> - 0 0 10 1,-0.1 4,-2.4 -3,-0.1 3,-0.6 -0.967 6.2-146.4-117.1 113.8 2.6 -21.0 16.3 148 232 A P H 3> S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.873 99.5 55.1 -45.5 -46.7 -1.0 -22.4 16.5 149 233 A F H 3> S+ 0 0 1 35,-0.5 4,-2.3 32,-0.4 5,-0.1 0.905 111.7 44.2 -52.3 -48.0 -0.5 -24.5 13.3 150 234 A K H <> S+ 0 0 4 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.947 113.0 49.8 -61.3 -53.1 2.5 -26.2 14.9 151 235 A R H X S+ 0 0 149 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.891 112.9 47.4 -54.7 -43.6 0.9 -26.7 18.3 152 236 A S H X S+ 0 0 9 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.895 110.6 51.8 -66.5 -43.7 -2.2 -28.3 16.6 153 237 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.918 110.7 48.6 -55.7 -45.8 -0.0 -30.6 14.4 154 238 A I H X S+ 0 0 21 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.934 110.4 50.3 -63.9 -47.2 1.8 -31.7 17.5 155 239 A E H X S+ 0 0 61 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.926 111.6 50.3 -49.2 -47.7 -1.6 -32.3 19.3 156 240 A Y H < S+ 0 0 0 -4,-2.6 4,-0.4 2,-0.2 3,-0.3 0.952 111.7 45.8 -62.6 -47.5 -2.6 -34.3 16.2 157 241 A L H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 4,-0.4 0.924 111.4 52.9 -60.2 -45.7 0.6 -36.4 16.2 158 242 A N H >< S+ 0 0 68 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.818 95.7 69.9 -57.0 -34.6 0.3 -37.0 20.0 159 243 A S T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.607 85.6 67.2 -67.1 -12.8 -3.3 -38.3 19.5 160 244 A Y T < S- 0 0 12 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.779 90.7-150.0 -69.6 -27.1 -2.0 -41.5 17.8 161 245 A H < + 0 0 112 -3,-1.7 2,-0.5 -4,-0.4 -2,-0.1 0.871 46.3 138.9 56.0 38.8 -0.5 -42.5 21.1 162 246 A L > - 0 0 61 -5,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.968 53.6-147.8-117.4 129.8 2.3 -44.4 19.3 163 247 A K H > S+ 0 0 141 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.863 100.2 58.5 -58.9 -39.3 5.9 -44.4 20.5 164 248 A D H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.872 110.2 42.7 -60.1 -40.2 7.1 -44.7 16.8 165 249 A I H >>S+ 0 0 0 -3,-0.4 5,-2.5 3,-0.2 4,-2.1 0.945 113.5 52.2 -69.8 -49.2 5.3 -41.4 16.0 166 250 A D H <>S+ 0 0 62 -4,-2.7 5,-1.6 3,-0.2 -2,-0.2 0.937 123.2 29.2 -46.7 -53.0 6.5 -39.7 19.2 167 251 A E H <5S+ 0 0 89 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.878 128.0 35.9 -84.0 -41.8 10.1 -40.6 18.5 168 252 A L H <5S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.776 132.5 15.5 -87.8 -26.5 10.4 -40.7 14.7 169 253 A I T X5S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.4 3,-0.3 0.824 121.6 47.6-112.9 -61.0 8.0 -38.0 13.6 170 254 A T H >> S+ 0 0 22 -3,-0.3 3,-0.9 2,-0.2 4,-0.5 0.931 111.7 49.2 -65.8 -49.1 11.6 -34.1 14.1 173 257 A V H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.889 104.1 61.6 -56.7 -41.4 8.6 -31.7 13.7 174 258 A E H 3< S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 96.9 58.7 -55.4 -31.5 9.5 -30.1 17.0 175 259 A E H << S+ 0 0 112 -3,-0.9 -34,-2.3 -4,-0.8 -1,-0.3 0.710 88.9 93.6 -74.0 -17.4 12.8 -29.0 15.6 176 260 A V E << S-I 140 0A 1 -3,-1.6 2,-0.6 -4,-0.5 -36,-0.3 -0.531 75.1-130.9 -81.3 137.8 11.2 -27.0 12.7 177 261 A N E -I 139 0A 40 -38,-3.0 -38,-0.7 -2,-0.2 -35,-0.1 -0.829 18.0-168.5 -85.6 118.6 10.4 -23.3 13.1 178 262 A F > + 0 0 1 -2,-0.6 3,-3.0 1,-0.2 -29,-0.1 0.313 47.7 119.9 -95.6 11.4 6.8 -22.7 12.0 179 263 A A G > + 0 0 51 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.822 68.4 61.2 -46.3 -44.5 6.9 -18.9 11.9 180 264 A P G 3 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.645 104.4 51.3 -61.5 -10.2 5.9 -18.8 8.1 181 265 A L G X S+ 0 0 1 -3,-3.0 3,-1.3 1,-0.1 -32,-0.4 0.127 71.7 118.5-107.7 18.2 2.6 -20.5 9.0 182 266 A S T < S+ 0 0 62 -3,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.688 74.1 51.5 -62.9 -18.4 1.7 -18.1 11.8 183 267 A E T 3 S+ 0 0 72 -3,-0.2 199,-0.4 -4,-0.1 -1,-0.3 0.707 100.5 72.6 -85.9 -20.7 -1.5 -17.0 9.9 184 268 A L < - 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