==== 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 12-DEC-05 2FCO . COMPND 2 MOLECULE: RECOMBINATION PROTEIN U (PENICILLIN-BINDING PROTE . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR J.LI,M.J.JEDRZEJAS . 308 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 0 0 0 2 0 2 0 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 30 A G 0 0 81 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.1 8.2 37.6 94.7 2 31 A M + 0 0 174 4,-0.0 5,-0.0 5,-0.0 0, 0.0 0.630 360.0 96.7-115.5 -29.0 7.2 40.2 97.3 3 32 A T S > S- 0 0 58 1,-0.1 4,-2.2 3,-0.0 5,-0.2 -0.059 85.6-112.0 -62.2 162.8 9.3 39.0 100.2 4 33 A L H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 120.1 56.7 -62.0 -38.3 12.7 40.5 101.1 5 34 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 107.0 47.2 -60.1 -45.0 14.2 37.2 100.1 6 35 A D H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.0 50.1 -63.9 -43.1 12.7 37.4 96.7 7 36 A D H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 135,-0.4 0.878 110.7 49.7 -63.3 -38.2 13.9 41.0 96.2 8 37 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.851 107.7 54.1 -70.0 -33.7 17.4 40.0 97.3 9 38 A N H X S+ 0 0 98 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 111.8 44.1 -64.2 -46.1 17.4 37.1 94.9 10 39 A A H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.889 115.9 49.0 -64.8 -39.1 16.5 39.5 92.0 11 40 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 111.7 46.6 -67.3 -46.9 19.1 42.0 93.3 12 41 A N H X S+ 0 0 4 -4,-3.1 4,-2.0 2,-0.2 11,-0.3 0.862 110.5 53.1 -66.2 -34.9 22.0 39.6 93.7 13 42 A E H X S+ 0 0 85 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.939 110.5 48.6 -63.7 -45.4 21.3 38.1 90.2 14 43 A Y H X S+ 0 0 43 -4,-1.9 4,-2.2 1,-0.2 6,-0.2 0.921 109.2 52.3 -59.3 -46.2 21.4 41.6 88.8 15 44 A Y H <>S+ 0 0 1 -4,-2.5 5,-3.1 1,-0.2 6,-1.1 0.885 112.5 45.7 -59.5 -39.4 24.7 42.4 90.6 16 45 A R H ><5S+ 0 0 40 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.934 114.0 46.6 -69.7 -47.0 26.3 39.2 89.2 17 46 A E H 3<5S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.806 114.9 47.3 -66.1 -30.3 25.2 39.7 85.6 18 47 A R T 3<5S- 0 0 158 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.394 113.2-116.7 -91.6 1.0 26.2 43.3 85.6 19 48 A G T < 5S+ 0 0 49 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.833 80.3 120.1 68.3 34.2 29.6 42.6 87.1 20 49 A I S S- B 0 49A 25 3,-1.9 3,-2.1 -2,-0.4 -25,-0.1 -0.947 77.5 -14.1-148.9 124.4 32.7 43.0 96.5 47 92 A R T 3 S- 0 0 125 -2,-0.3 193,-0.2 -27,-0.3 3,-0.1 0.860 127.6 -54.0 48.9 42.7 35.7 45.1 95.6 48 93 A G T 3 S+ 0 0 7 191,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.547 114.0 114.2 74.3 7.5 38.0 42.5 97.1 49 94 A K E < S-B 46 0A 76 -3,-2.1 -3,-1.9 190,-0.2 2,-0.4 -0.866 71.2-112.2-114.8 148.0 36.3 42.3 100.5 50 95 A Y E -B 45 0A 1 154,-2.0 36,-3.0 -2,-0.3 2,-0.4 -0.614 33.2-162.5 -74.6 128.5 34.3 39.6 102.1 51 96 A I E +Bc 44 86A 0 -7,-2.9 -7,-1.9 -2,-0.4 2,-0.3 -0.944 14.3 169.0-115.9 136.1 30.6 40.5 102.4 52 97 A D E +Bc 43 87A 0 34,-2.1 36,-1.7 -2,-0.4 2,-0.3 -0.983 6.4 151.8-150.0 130.7 28.3 38.7 104.8 53 98 A F E -Bc 42 88A 0 -11,-2.3 -11,-2.0 -2,-0.3 2,-0.4 -0.986 32.9-138.4-156.5 166.0 24.8 39.5 105.9 54 99 A E E - c 0 89A 2 34,-1.2 36,-2.7 -2,-0.3 2,-0.5 -0.947 20.8-152.3-123.7 146.3 21.4 38.3 107.2 55 100 A A E + c 0 90A 12 -2,-0.4 2,-0.3 34,-0.2 36,-0.2 -0.985 20.9 163.5-127.3 125.5 18.1 39.7 105.9 56 101 A K E - c 0 91A 56 34,-2.4 36,-2.4 -2,-0.5 2,-0.3 -0.954 15.5-159.1-137.8 155.9 14.9 39.8 107.9 57 102 A E E - c 0 92A 65 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.932 4.3-169.2-135.1 159.1 11.6 41.7 107.7 58 103 A T E - c 0 93A 21 34,-2.3 36,-1.7 -2,-0.3 37,-0.5 -0.980 27.9-143.1-146.0 154.9 8.8 42.6 110.1 59 104 A K S S+ 0 0 163 -2,-0.3 34,-0.1 34,-0.2 -1,-0.1 0.494 72.0 111.5 -93.9 -7.3 5.3 44.0 109.9 60 105 A N - 0 0 66 1,-0.1 35,-0.2 3,-0.1 36,-0.2 -0.406 55.6-159.2 -64.4 142.0 5.9 45.9 113.1 61 106 A K S S+ 0 0 120 34,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.466 80.6 37.3-106.6 0.0 6.0 49.6 112.4 62 107 A T S S+ 0 0 102 1,-0.3 62,-2.7 62,-0.1 63,-0.4 0.566 118.6 15.9-124.9 -14.6 8.0 51.0 115.4 63 108 A A E -F 123 0B 2 60,-0.3 -1,-0.3 61,-0.1 -3,-0.1 -0.992 66.0-118.9-158.3 154.4 10.6 48.4 116.3 64 109 A F E -F 122 0B 0 58,-3.1 58,-2.7 -2,-0.3 2,-0.2 -0.873 31.9-128.0-102.6 116.5 12.4 45.4 114.9 65 110 A P E > -F 121 0B 23 0, 0.0 3,-1.1 0, 0.0 56,-0.3 -0.387 7.2-151.8 -62.3 127.5 12.0 42.1 116.8 66 111 A L G > S+ 0 0 0 54,-2.7 3,-2.1 1,-0.2 55,-0.1 0.634 86.3 83.0 -75.5 -13.0 15.3 40.5 117.7 67 112 A K G 3 S+ 0 0 178 53,-0.5 -1,-0.2 1,-0.3 54,-0.1 0.653 72.6 78.7 -64.7 -13.2 13.6 37.1 117.7 68 113 A N G < S+ 0 0 48 -3,-1.1 2,-0.3 2,-0.0 -1,-0.3 0.607 95.8 52.1 -70.4 -11.0 14.1 37.2 114.0 69 114 A F S < S- 0 0 9 -3,-2.1 2,-0.3 -13,-0.0 -13,-0.0 -0.869 74.3-148.4-123.2 156.9 17.7 36.2 114.6 70 115 A H >> - 0 0 44 -2,-0.3 4,-1.7 1,-0.1 3,-1.0 -0.876 31.6-101.2-125.5 161.6 19.3 33.3 116.6 71 116 A A H 3> S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.796 116.4 57.6 -45.2 -43.6 22.4 32.9 118.7 72 117 A H H 3> S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.891 107.4 47.5 -60.0 -40.9 24.3 30.9 116.0 73 118 A Q H <> S+ 0 0 4 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.900 112.1 49.7 -67.7 -41.1 23.9 33.8 113.4 74 119 A I H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 110.9 49.2 -63.8 -44.4 25.1 36.4 116.0 75 120 A R H X S+ 0 0 137 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.907 110.4 51.5 -61.7 -41.1 28.1 34.3 116.9 76 121 A H H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.918 108.8 50.6 -62.3 -43.4 28.9 33.9 113.2 77 122 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.901 107.5 53.8 -61.4 -40.6 28.7 37.7 112.6 78 123 A E H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.908 110.2 47.8 -59.8 -41.2 31.0 38.2 115.6 79 124 A Q H X S+ 0 0 78 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.923 110.7 50.5 -66.0 -44.6 33.5 35.9 113.9 80 125 A V H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.2 0.922 110.7 49.5 -59.9 -44.0 33.2 37.6 110.6 81 126 A V H ><5S+ 0 0 63 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.922 109.1 52.4 -60.9 -43.8 33.8 41.0 112.1 82 127 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.7 52.9 -63.5 -28.4 36.9 39.7 114.0 83 128 A H T 3<5S- 0 0 38 -4,-1.6 121,-2.4 -3,-0.2 -1,-0.3 0.193 122.6-101.9 -95.5 18.4 38.3 38.4 110.7 84 129 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.2 -34,-0.2 0.576 72.2 142.1 78.7 12.3 37.9 41.7 108.9 85 130 A G < - 0 0 12 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.2 -0.401 58.3-111.0 -84.7 162.8 34.8 41.1 106.9 86 131 A I E +c 51 0A 9 -36,-3.0 -34,-2.1 118,-0.2 2,-0.4 -0.846 47.4 176.0 -90.3 118.9 32.0 43.5 106.1 87 132 A C E +c 52 0A 2 -2,-0.7 17,-2.7 -36,-0.2 18,-0.3 -0.992 8.4 139.6-134.0 134.0 29.1 42.2 108.0 88 133 A F E -cD 53 103A 0 -36,-1.7 -34,-1.2 -2,-0.4 2,-0.4 -0.932 41.1-114.0-157.5 176.3 25.6 43.7 108.5 89 134 A A E -cD 54 102A 0 13,-2.5 13,-2.6 -2,-0.3 2,-0.7 -0.941 17.6-142.2-120.6 143.7 21.9 42.9 108.6 90 135 A I E -cD 55 101A 0 -36,-2.7 -34,-2.4 -2,-0.4 2,-0.5 -0.958 25.1-167.8-105.1 116.8 19.4 44.1 106.1 91 136 A L E -cD 56 100A 0 9,-2.8 9,-2.9 -2,-0.7 2,-0.5 -0.937 3.3-167.5-113.5 121.1 16.3 45.0 108.1 92 137 A R E -cD 57 99A 15 -36,-2.4 -34,-2.3 -2,-0.5 2,-1.0 -0.913 19.1-159.8-114.7 131.6 13.0 45.7 106.4 93 138 A F E >>> -cD 58 98A 0 5,-3.1 5,-1.8 -2,-0.5 3,-1.3 -0.873 18.8-166.1-102.7 94.4 9.8 47.2 107.8 94 139 A S T 345S+ 0 0 39 -36,-1.7 3,-0.4 -2,-1.0 -1,-0.2 0.839 81.5 49.6 -51.3 -44.8 7.4 45.8 105.2 95 140 A L T 345S+ 0 0 102 -37,-0.5 -1,-0.3 1,-0.2 -36,-0.1 0.617 114.3 44.9 -75.9 -12.3 4.5 48.0 106.0 96 141 A L T <45S- 0 0 51 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.514 103.0-130.7-102.9 -10.9 6.6 51.2 106.0 97 142 A N T <5 + 0 0 113 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.2 0.894 63.0 138.6 59.5 39.2 8.3 50.1 102.7 98 143 A E E < -D 93 0A 56 -5,-1.8 -5,-3.1 35,-0.0 2,-0.4 -0.971 32.5-175.5-120.0 129.6 11.5 51.0 104.5 99 144 A T E -D 92 0A 5 -2,-0.4 35,-2.7 35,-0.3 2,-0.3 -0.986 7.2-172.3-126.1 132.6 14.7 48.9 104.3 100 145 A Y E -DE 91 133A 18 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.5 -0.905 22.4-139.0-127.0 154.7 17.9 49.6 106.3 101 146 A L E -DE 90 132A 0 31,-2.8 31,-2.2 -2,-0.3 2,-0.4 -0.943 24.9-174.5-107.4 127.4 21.4 48.3 106.4 102 147 A L E -D 89 0A 3 -13,-2.6 -13,-2.5 -2,-0.5 29,-0.1 -0.984 27.1-116.9-127.4 121.9 22.7 48.0 110.0 103 148 A D E >> -D 88 0A 38 -2,-0.4 4,-1.6 27,-0.4 3,-1.1 -0.196 23.6-120.4 -56.1 144.2 26.3 47.1 110.8 104 149 A A H 3> S+ 0 0 0 -17,-2.7 4,-3.4 1,-0.3 5,-0.3 0.835 109.3 68.4 -54.8 -35.4 26.7 43.8 112.6 105 150 A S H 3> S+ 0 0 55 -18,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.889 104.4 42.7 -52.9 -41.6 28.4 45.6 115.5 106 151 A H H <> S+ 0 0 57 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.921 114.5 48.5 -72.6 -44.7 25.1 47.2 116.4 107 152 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.925 112.2 50.3 -61.0 -44.0 23.0 44.1 115.9 108 153 A I H X S+ 0 0 18 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.924 110.7 49.2 -58.9 -47.2 25.4 42.1 118.0 109 154 A A H X S+ 0 0 45 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.920 114.1 44.7 -59.9 -46.9 25.3 44.7 120.8 110 155 A W H X S+ 0 0 47 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.896 113.9 49.7 -65.6 -40.8 21.5 44.9 120.9 111 156 A W H >X S+ 0 0 33 -4,-2.7 3,-1.0 1,-0.2 4,-0.6 0.907 109.7 50.4 -65.5 -43.2 21.2 41.1 120.8 112 157 A N H 3< S+ 0 0 72 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.734 101.5 63.6 -67.8 -23.0 23.6 40.5 123.6 113 158 A K H 3<>S+ 0 0 132 -4,-1.1 5,-3.0 -3,-0.2 3,-0.5 0.707 86.7 74.0 -74.8 -19.6 21.8 43.1 125.8 114 159 A Q H X<5S+ 0 0 34 -3,-1.0 3,-2.9 -4,-0.6 -1,-0.2 0.964 93.6 49.8 -56.1 -56.6 18.7 40.9 125.8 115 160 A E T 3<5S+ 0 0 122 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.717 106.6 58.6 -56.3 -21.6 20.1 38.3 128.2 116 161 A A T 3 5S- 0 0 91 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.508 134.7 -89.0 -86.1 -5.6 21.1 41.2 130.4 117 162 A G T < 5S+ 0 0 69 -3,-2.9 -3,-0.2 -4,-0.3 -2,-0.2 0.377 81.5 143.6 113.1 -1.0 17.5 42.3 130.6 118 163 A G < - 0 0 33 -5,-3.0 -1,-0.2 1,-0.1 -8,-0.0 -0.076 59.1 -77.1 -64.6 170.0 17.4 44.6 127.6 119 164 A R - 0 0 124 2,-0.1 -1,-0.1 1,-0.1 -6,-0.1 -0.277 32.0-127.4 -68.7 156.1 14.4 44.9 125.3 120 165 A K S S+ 0 0 165 -3,-0.1 -54,-2.7 -6,-0.1 -53,-0.5 0.180 87.6 49.6 -89.9 16.9 13.6 42.1 122.8 121 166 A S E S-F 65 0B 24 -56,-0.3 -2,-0.1 -55,-0.1 0, 0.0 -0.993 77.5-121.6-152.9 153.8 13.4 44.6 119.9 122 167 A I E -F 64 0B 1 -58,-2.7 -58,-3.1 -2,-0.3 5,-0.1 -0.869 34.7-119.1-100.2 121.7 15.3 47.4 118.3 123 168 A P E >> -F 63 0B 13 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.340 18.1-128.3 -58.3 135.5 13.5 50.8 118.1 124 169 A K H 3> S+ 0 0 27 -62,-2.7 4,-2.3 1,-0.3 5,-0.2 0.836 109.5 61.8 -54.3 -32.2 13.1 51.9 114.5 125 170 A Q H 3> S+ 0 0 119 -63,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.855 101.7 50.7 -62.3 -36.6 14.6 55.2 115.6 126 171 A E H <> S+ 0 0 42 -3,-1.2 4,-2.8 2,-0.2 5,-0.3 0.870 109.3 50.8 -69.4 -37.2 17.8 53.5 116.7 127 172 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.894 110.8 48.3 -67.6 -39.5 18.1 51.8 113.3 128 173 A E H < S+ 0 0 96 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.869 115.1 47.2 -67.2 -35.4 17.6 55.0 111.5 129 174 A R H < S+ 0 0 155 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.930 128.4 21.2 -71.5 -49.5 20.2 56.6 113.7 130 175 A H H < S+ 0 0 74 -4,-2.8 -27,-0.4 -5,-0.1 -2,-0.2 0.548 121.0 62.8 -98.8 -10.6 22.9 54.0 113.5 131 176 A G S < S- 0 0 6 -4,-2.2 2,-0.4 -5,-0.3 -29,-0.2 -0.267 77.0-118.5-102.3-168.0 21.8 52.3 110.3 132 177 A H E -E 101 0A 80 -31,-2.2 -31,-2.8 -2,-0.1 2,-0.1 -0.993 20.0-120.7-140.6 129.6 21.5 53.4 106.7 133 178 A S E -E 100 0A 89 -2,-0.4 -33,-0.2 -33,-0.2 -35,-0.0 -0.419 27.7-138.6 -66.9 141.0 18.4 53.6 104.4 134 179 A I - 0 0 9 -35,-2.7 -35,-0.3 -2,-0.1 10,-0.1 -0.903 17.2-118.8-106.7 125.6 18.7 51.4 101.3 135 180 A P - 0 0 61 0, 0.0 8,-2.3 0, 0.0 2,-0.3 -0.349 27.1-150.6 -63.1 136.5 17.5 52.8 97.9 136 181 A L B +G 142 0C 72 6,-0.2 2,-0.3 7,-0.1 6,-0.2 -0.795 29.0 137.4-108.6 150.6 14.7 50.9 96.3 137 182 A G - 0 0 44 4,-1.7 0, 0.0 -2,-0.3 0, 0.0 -0.943 62.2 -80.9-168.4-171.1 14.0 50.6 92.6 138 183 A Y S S+ 0 0 213 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.942 111.3 33.2 -74.0 -49.1 13.1 48.4 89.6 139 184 A Q S S+ 0 0 97 1,-0.5 -1,-0.3 2,-0.1 2,-0.1 -0.826 127.4 24.8-159.8 114.1 16.6 47.0 89.1 140 185 A P S S- 0 0 15 0, 0.0 -1,-0.5 0, 0.0 3,-0.4 0.511 83.3-162.9 -71.1 150.0 18.4 46.6 91.4 141 186 A R S S+ 0 0 94 -134,-0.3 -4,-1.7 1,-0.3 2,-0.5 0.934 84.7 23.2 -67.4 -46.6 15.3 46.2 93.7 142 187 A I B S-G 136 0C 0 -135,-0.4 2,-2.2 -6,-0.2 3,-0.3 -0.889 75.9-161.6-123.7 96.6 17.3 46.7 96.9 143 188 A D >> + 0 0 47 -8,-2.3 4,-0.8 -2,-0.5 3,-0.7 -0.357 34.4 146.5 -80.5 63.4 20.5 48.6 96.1 144 189 A Y H 3> + 0 0 0 -2,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.741 63.9 66.5 -71.5 -21.8 22.4 47.7 99.3 145 190 A I H 3> S+ 0 0 5 -3,-0.3 4,-2.8 1,-0.2 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