==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-10 3O0F . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT PHOSPHOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM ADOLESCENTIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 2 0 0 0 0 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 0 0 1 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 . 0 0 0 1 0 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 7 A A 0 0 117 0, 0.0 238,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 45.1 45.5 -0.2 2 8 A E - 0 0 72 224,-0.0 224,-0.1 0, 0.0 3,-0.1 -0.924 360.0 -85.3-129.1 156.0 45.8 42.0 -1.6 3 9 A P - 0 0 61 0, 0.0 266,-0.1 0, 0.0 2,-0.1 -0.396 56.1-105.9 -60.1 135.8 44.9 38.6 -0.3 4 10 A P - 0 0 29 0, 0.0 264,-0.2 0, 0.0 3,-0.1 -0.356 16.3-148.7 -65.7 143.0 47.5 37.5 2.2 5 11 A A S S+ 0 0 88 1,-0.1 2,-0.3 -3,-0.1 265,-0.0 0.741 85.3 26.9 -81.3 -22.6 50.0 34.8 1.0 6 12 A Q S S+ 0 0 129 262,-0.1 2,-0.3 29,-0.0 265,-0.2 -0.969 85.6 76.4-139.2 153.2 50.2 33.4 4.6 7 13 A G S S- 0 0 1 -2,-0.3 29,-2.6 27,-0.2 30,-0.7 -0.997 73.5 -28.7 149.0-144.6 47.9 33.4 7.6 8 14 A W E -aB 37 269A 23 261,-2.7 261,-3.1 -2,-0.3 2,-0.8 -0.859 34.5-140.1-116.8 143.5 44.8 31.6 8.9 9 15 A D E +a 38 0A 0 28,-1.6 30,-1.9 -2,-0.4 243,-0.2 -0.876 27.5 174.6 -97.5 106.4 41.9 29.9 7.1 10 16 A I E + 0 0 0 241,-1.1 2,-0.3 -2,-0.8 242,-0.1 0.248 58.6 70.0-101.8 15.3 39.0 31.0 9.3 11 17 A H E + 0 0 0 240,-0.1 243,-1.9 2,-0.0 244,-1.0 -0.707 61.9 138.9-133.1 81.0 36.1 29.7 7.3 12 18 A C E -ac 40 255A 0 27,-0.6 29,-2.5 -2,-0.3 2,-0.3 -0.989 32.4-154.7-134.8 132.7 36.0 25.8 7.5 13 19 A H - 0 0 0 242,-3.0 8,-0.3 -2,-0.4 7,-0.3 -0.809 12.4-176.6-108.4 152.4 33.1 23.3 7.8 14 20 A T > > - 0 0 0 -2,-0.3 5,-2.7 5,-0.2 3,-2.2 -0.649 50.5 -73.1-131.5-177.0 33.1 19.8 9.2 15 21 A V T 3 5S+ 0 0 9 6,-2.2 116,-0.6 1,-0.3 115,-0.2 0.668 117.2 78.7 -56.4 -20.1 30.7 16.9 9.7 16 22 A F T 3 5S- 0 0 0 5,-0.3 120,-2.5 119,-0.1 -1,-0.3 0.637 121.2 -4.0 -69.7 -9.5 29.1 18.8 12.6 17 23 A S T < 5S- 0 0 1 -3,-2.2 113,-0.2 118,-0.2 114,-0.1 -0.073 128.8 -34.1-135.2-104.5 27.4 20.6 9.7 18 24 A D T 5S+ 0 0 15 119,-0.1 -3,-0.2 -2,-0.1 2,-0.1 0.240 97.1 103.6-113.2 10.4 27.9 20.2 6.0 19 25 A G < - 0 0 6 -5,-2.7 -5,-0.2 2,-0.1 238,-0.2 -0.371 65.6-136.5 -81.8 169.3 31.6 19.4 5.7 20 26 A T S S+ 0 0 46 236,-0.7 2,-0.3 -7,-0.3 237,-0.1 0.498 75.7 68.8-104.8 -5.1 32.8 15.8 5.0 21 27 A E S S- 0 0 50 -8,-0.3 -6,-2.2 1,-0.1 -5,-0.3 -0.736 78.4-106.9-121.9 162.1 35.6 15.7 7.5 22 28 A T > - 0 0 49 -2,-0.3 4,-2.3 -8,-0.2 5,-0.1 -0.301 32.6-111.3 -79.7 160.3 36.3 15.7 11.2 23 29 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.905 120.8 55.3 -54.3 -40.4 37.7 18.6 13.2 24 30 A R H > S+ 0 0 128 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.928 106.8 49.0 -59.2 -45.6 40.8 16.5 13.8 25 31 A T H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.927 109.4 53.6 -61.4 -42.3 41.2 16.1 10.0 26 32 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 112.3 43.0 -56.3 -47.5 40.8 19.8 9.5 27 33 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 114.4 49.5 -68.1 -44.4 43.5 20.7 12.0 28 34 A E H X S+ 0 0 61 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.917 115.6 43.5 -58.8 -48.1 45.9 18.0 10.7 29 35 A Q H X S+ 0 0 69 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.914 109.8 55.4 -68.4 -41.9 45.5 19.1 7.1 30 36 A A H <>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.3 -1,-0.2 0.901 110.6 46.4 -58.2 -42.7 45.7 22.9 7.9 31 37 A R H ><5S+ 0 0 139 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.947 110.0 53.3 -62.1 -48.3 49.1 22.3 9.6 32 38 A K H 3<5S+ 0 0 153 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.800 104.7 56.0 -56.9 -29.2 50.3 20.2 6.7 33 39 A L T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.427 119.0-110.8 -87.2 1.4 49.4 23.0 4.3 34 40 A G T < 5 + 0 0 54 -3,-2.1 -27,-0.2 1,-0.2 -3,-0.2 0.695 61.7 158.0 80.2 18.4 51.6 25.4 6.2 35 41 A L < - 0 0 20 -5,-2.1 -1,-0.2 -6,-0.2 -27,-0.2 -0.430 44.4-137.2 -71.0 150.1 48.7 27.5 7.6 36 42 A H S S- 0 0 72 -29,-2.6 2,-0.3 1,-0.3 -28,-0.2 0.662 78.1 -29.1 -81.5 -18.4 49.4 29.6 10.7 37 43 A G E -a 8 0A 0 -30,-0.7 -28,-1.6 24,-0.1 2,-0.3 -0.968 58.8-140.0-178.3 178.5 46.1 28.6 12.1 38 44 A V E -ad 9 63A 0 24,-1.5 26,-2.6 -2,-0.3 2,-0.4 -0.934 7.7-140.5-145.6 163.2 42.5 27.6 11.3 39 45 A A E - d 0 64A 0 -30,-1.9 -27,-0.6 -2,-0.3 2,-0.4 -0.999 11.1-138.9-126.5 144.9 39.0 28.1 12.5 40 46 A I E +ad 12 65A 0 24,-1.6 26,-1.1 -2,-0.4 -27,-0.2 -0.784 27.4 170.1 -88.5 138.3 36.1 25.8 12.8 41 47 A A + 0 0 0 -29,-2.5 26,-0.3 -2,-0.4 27,-0.2 -0.198 7.4 172.7-147.3 45.4 32.9 27.7 11.6 42 48 A D > - 0 0 3 24,-0.5 26,-2.2 25,-0.2 3,-0.8 -0.205 43.9 -86.3 -60.2 155.3 30.1 25.1 11.3 43 49 A H B 3 S-e 68 0B 16 1,-0.2 26,-0.2 24,-0.2 93,-0.2 -0.430 95.3 -23.4 -66.6 123.4 26.5 26.3 10.6 44 50 A D T 3 S+ 0 0 0 24,-2.5 2,-0.3 -2,-0.2 -1,-0.2 0.749 117.6 82.5 52.6 39.0 24.4 27.3 13.7 45 51 A T < - 0 0 6 -3,-0.8 23,-0.2 23,-0.1 -1,-0.1 -0.992 56.6-158.4-163.0 156.7 26.4 25.2 16.2 46 52 A T > + 0 0 40 -2,-0.3 3,-2.0 21,-0.1 4,-0.4 0.045 61.8 119.7-118.0 19.4 29.4 24.9 18.5 47 53 A A T 3 S+ 0 0 27 1,-0.3 4,-0.3 -31,-0.1 3,-0.2 0.797 74.4 47.0 -64.0 -29.4 29.1 21.1 18.6 48 54 A G T 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.385 84.5 96.8 -88.8 3.2 32.6 20.5 17.1 49 55 A W H <> S+ 0 0 14 -3,-2.0 4,-2.8 2,-0.2 5,-0.2 0.933 82.6 47.5 -59.5 -52.2 34.4 23.0 19.4 50 56 A D H > S+ 0 0 118 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.950 115.1 47.1 -55.0 -48.9 35.7 20.4 22.0 51 57 A E H > S+ 0 0 61 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.921 113.1 48.5 -57.9 -45.4 36.9 18.1 19.2 52 58 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 111.7 49.6 -62.2 -43.8 38.6 21.1 17.4 53 59 A T H X S+ 0 0 38 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.943 111.1 48.8 -61.3 -46.7 40.3 22.3 20.6 54 60 A E H X S+ 0 0 118 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.919 112.8 47.8 -58.1 -46.8 41.6 18.8 21.4 55 61 A A H X S+ 0 0 2 -4,-2.3 4,-3.5 1,-0.2 5,-0.4 0.917 109.9 52.9 -58.7 -47.2 43.0 18.4 17.9 56 62 A S H X>S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 5,-1.7 0.874 112.6 44.7 -58.0 -41.2 44.6 21.8 18.0 57 63 A E H <5S+ 0 0 144 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.878 116.9 43.9 -73.0 -42.2 46.3 20.9 21.3 58 64 A E H <5S+ 0 0 81 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.916 122.7 36.5 -69.0 -41.3 47.5 17.5 20.2 59 65 A I H <5S- 0 0 39 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.749 106.2-123.4 -87.6 -24.2 48.6 18.6 16.7 60 66 A G T <5 + 0 0 44 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.945 61.8 132.6 82.3 51.2 50.0 22.0 17.7 61 67 A L < - 0 0 7 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.969 58.8-114.8-134.4 123.7 48.1 24.4 15.5 62 68 A P - 0 0 64 0, 0.0 -24,-1.5 0, 0.0 2,-0.4 -0.226 36.3-157.5 -51.3 142.2 46.5 27.5 16.8 63 69 A L E -d 38 0A 26 -26,-0.2 2,-0.4 -55,-0.0 -24,-0.2 -0.969 16.4-152.5-132.3 136.1 42.7 27.5 16.5 64 70 A L E -d 39 0A 0 -26,-2.6 -24,-1.6 -2,-0.4 2,-0.6 -0.897 22.1-136.2-102.3 135.3 39.9 30.1 16.4 65 71 A L E +d 40 0A 17 -2,-0.4 19,-2.8 -26,-0.2 2,-0.3 -0.839 41.3 153.1 -93.9 121.5 36.5 28.9 17.6 66 72 A G E - F 0 83B 0 -26,-1.1 -24,-0.5 -2,-0.6 2,-0.3 -0.858 33.2-154.2-145.7 174.3 33.7 30.0 15.4 67 73 A T E - F 0 82B 0 15,-1.7 15,-2.5 -26,-0.3 2,-0.7 -0.986 19.5-134.4-150.6 141.1 30.2 29.5 14.0 68 74 A E E -eF 43 81B 2 -26,-2.2 -24,-2.5 -2,-0.3 2,-0.5 -0.905 29.4-153.5-101.2 116.3 28.5 30.5 10.7 69 75 A I E - F 0 80B 0 11,-3.8 11,-2.5 -2,-0.7 2,-0.4 -0.805 9.1-132.8 -99.7 127.6 25.1 31.8 11.6 70 76 A T E + F 0 79B 11 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.588 42.4 155.8 -75.7 128.2 22.2 31.7 9.2 71 77 A A E - F 0 78B 2 7,-2.0 7,-2.4 -2,-0.4 2,-0.3 -0.894 31.0-140.2-148.3 171.1 20.5 35.1 9.0 72 78 A V E -gF 177 77B 48 104,-1.7 106,-1.5 -2,-0.3 2,-0.4 -0.997 3.9-166.1-140.1 145.4 18.3 37.3 6.9 73 79 A D E > S- F 0 76B 6 3,-2.6 3,-2.3 -2,-0.3 2,-0.2 -0.919 70.2 -51.9-133.4 108.8 18.2 41.1 6.1 74 80 A E T 3 S- 0 0 142 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.520 125.3 -22.9 52.8-122.4 15.0 42.3 4.4 75 81 A D T 3 S+ 0 0 112 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.288 118.1 103.8 -96.5 15.1 14.9 39.9 1.5 76 82 A V E < -F 73 0B 2 -3,-2.3 -3,-2.6 127,-0.1 2,-0.3 -0.838 67.0-134.8-105.9 122.8 18.6 39.0 1.5 77 83 A S E -F 72 0B 54 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.608 31.1-173.4 -64.9 129.0 20.1 35.7 2.9 78 84 A V E -F 71 0B 8 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.5 -0.996 16.6-155.5-132.8 130.7 23.1 36.7 5.0 79 85 A H E -F 70 0B 37 116,-0.4 116,-2.8 -2,-0.4 2,-0.5 -0.926 13.1-160.5-105.2 131.3 25.7 34.4 6.6 80 86 A X E -FH 69 194B 0 -11,-2.5 -11,-3.8 -2,-0.5 2,-0.5 -0.961 9.3-145.1-115.1 128.1 27.5 35.8 9.7 81 87 A L E -FH 68 193B 0 112,-2.9 112,-3.1 -2,-0.5 2,-0.5 -0.795 17.9-167.9 -92.0 129.9 30.7 34.4 11.0 82 88 A A E -FH 67 192B 0 -15,-2.5 -15,-1.7 -2,-0.5 2,-0.4 -0.985 7.2-174.3-123.6 121.0 30.9 34.6 14.8 83 89 A F E +FH 66 191B 0 108,-2.9 108,-2.5 -2,-0.5 -17,-0.2 -0.934 52.7 1.6-122.0 148.9 34.2 34.0 16.6 84 90 A Q S S+ 0 0 14 -19,-2.8 198,-3.1 -2,-0.4 2,-0.3 0.877 81.0 143.6 53.4 51.4 35.5 33.7 20.1 85 91 A Y - 0 0 0 -20,-0.2 104,-0.2 196,-0.2 -1,-0.2 -0.763 62.9 -84.9-113.0 163.5 32.2 34.1 22.0 86 92 A D > - 0 0 56 102,-3.1 3,-1.8 -2,-0.3 6,-0.1 -0.551 35.4-157.6 -69.2 110.5 30.9 32.4 25.2 87 93 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -41,-0.1 0.757 89.8 56.4 -67.0 -19.6 29.4 29.1 24.0 88 94 A S T 3 S+ 0 0 88 100,-0.1 -2,-0.1 4,-0.1 2,-0.0 0.460 73.3 130.9 -87.8 -2.8 27.2 28.8 27.1 89 95 A N <> - 0 0 37 -3,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.330 55.5-143.0 -53.2 126.4 25.6 32.2 26.5 90 96 A E H > S+ 0 0 174 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.823 93.6 50.7 -69.6 -34.9 21.8 31.5 26.9 91 97 A H H > S+ 0 0 82 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.947 115.4 40.9 -67.9 -48.1 20.7 33.9 24.1 92 98 A I H > S+ 0 0 1 92,-0.2 4,-2.4 1,-0.2 5,-0.2 0.951 114.9 53.6 -71.2 -38.3 23.0 32.6 21.5 93 99 A S H X S+ 0 0 49 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.897 111.6 43.2 -58.3 -45.8 22.4 29.0 22.6 94 100 A S H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.852 110.3 56.0 -74.3 -33.7 18.7 29.2 22.3 95 101 A X H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.922 110.7 45.7 -61.5 -43.5 18.9 31.1 18.9 96 102 A F H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.897 110.9 52.2 -61.6 -42.2 21.0 28.2 17.5 97 103 A A H X S+ 0 0 45 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 111.1 48.4 -62.7 -41.7 18.7 25.5 19.0 98 104 A N H X S+ 0 0 108 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.890 112.3 47.8 -64.6 -41.8 15.7 27.3 17.3 99 105 A T H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.909 111.9 49.8 -68.3 -38.6 17.6 27.6 14.0 100 106 A R H X S+ 0 0 79 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.908 113.0 46.3 -66.1 -39.7 18.6 23.9 14.1 101 107 A A H X S+ 0 0 64 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.904 113.4 48.8 -68.6 -42.1 14.9 22.8 14.9 102 108 A A H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.938 112.5 49.7 -61.0 -46.6 13.6 25.1 12.1 103 109 A R H X S+ 0 0 26 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.906 110.8 49.3 -52.4 -47.9 16.2 23.6 9.7 104 110 A L H X S+ 0 0 68 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 113.2 46.2 -59.6 -47.9 15.3 20.0 10.7 105 111 A R H X S+ 0 0 150 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.909 116.3 44.8 -61.8 -47.0 11.6 20.7 10.2 106 112 A R H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.838 112.1 50.7 -62.9 -42.3 12.2 22.4 6.8 107 113 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.892 109.1 51.8 -74.7 -36.0 14.6 19.8 5.5 108 114 A K H X S+ 0 0 97 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.921 109.2 50.0 -60.2 -45.4 12.1 17.0 6.4 109 115 A R H X S+ 0 0 90 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.902 110.0 51.5 -67.4 -36.2 9.3 18.8 4.5 110 116 A X H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.883 110.5 47.3 -61.2 -43.1 11.6 19.2 1.5 111 117 A V H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.883 106.4 58.6 -68.4 -35.6 12.5 15.5 1.5 112 118 A E H < S+ 0 0 78 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.940 113.4 39.5 -57.8 -43.8 8.8 14.6 1.8 113 119 A R H >X S+ 0 0 119 -4,-1.7 3,-1.5 1,-0.2 4,-0.6 0.935 114.8 51.3 -71.4 -49.1 8.2 16.5 -1.5 114 120 A L H >X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.3 3,-1.3 0.848 100.6 64.4 -55.8 -36.2 11.4 15.3 -3.2 115 121 A S H 3< S+ 0 0 46 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.688 91.0 64.6 -68.4 -18.2 10.5 11.7 -2.4 116 122 A Q H <4 S+ 0 0 138 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.797 119.7 23.1 -66.0 -32.7 7.4 11.8 -4.6 117 123 A D H << S+ 0 0 83 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.1 0.573 123.7 46.2-112.5 -13.7 9.7 12.3 -7.6 118 124 A F S < S- 0 0 42 -4,-2.1 2,-2.1 2,-0.2 -1,-0.1 -0.934 84.4-106.3-132.5 154.8 13.1 10.8 -6.6 119 125 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.477 77.1 117.1 -83.2 75.0 14.3 7.6 -4.9 120 126 A I - 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