==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-SEP-04 1XIZ . COMPND 2 MOLECULE: PUTATIVE PHOSPHOTRANSFERASE SYSTEM . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.ZHANG,G.JOACHIMIAK,Z.OTWINOWSKI,F.COLLART,A.JOACHIMIAK, . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.3 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 . 1 0.3 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 30.9 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+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 0 0 3 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -1 A N > 0 0 122 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 92.6 31.7 53.6 25.3 2 0 A A G > + 0 0 52 1,-0.3 3,-0.8 2,-0.1 118,-0.1 0.779 360.0 62.0 -63.7 -29.1 31.3 52.3 21.8 3 1 A M G > + 0 0 6 1,-0.2 3,-1.9 150,-0.2 -1,-0.3 0.290 69.0 105.4 -83.1 13.3 29.7 49.0 22.9 4 2 A Q G < S+ 0 0 144 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.709 78.8 54.6 -64.9 -17.9 26.8 50.9 24.4 5 3 A D G < S+ 0 0 83 -3,-0.8 2,-0.5 -4,-0.1 -1,-0.3 0.362 83.8 105.1 -97.2 4.8 24.8 49.7 21.4 6 4 A I < - 0 0 16 -3,-1.9 2,-0.4 71,-0.1 73,-0.2 -0.743 65.4-138.3 -90.2 128.3 25.5 46.0 22.0 7 5 A H B +a 79 0A 58 71,-2.2 73,-1.7 -2,-0.5 2,-0.4 -0.720 26.7 170.3 -87.7 129.8 22.6 43.9 23.4 8 6 A F + 0 0 10 -2,-0.4 2,-0.2 71,-0.2 73,-0.1 -0.907 9.9 177.9-140.8 109.9 23.6 41.4 26.1 9 7 A R > - 0 0 83 -2,-0.4 3,-2.6 71,-0.3 -2,-0.0 -0.719 43.6-104.7-114.9 163.2 20.8 39.7 27.9 10 8 A R G > S+ 0 0 87 1,-0.3 3,-0.9 -2,-0.2 136,-0.1 0.844 121.2 51.3 -51.4 -40.0 20.5 37.0 30.6 11 9 A H G 3 S+ 0 0 80 1,-0.2 -1,-0.3 21,-0.1 131,-0.0 0.296 91.4 77.6 -84.1 11.9 19.3 34.4 28.1 12 10 A Y G < S+ 0 0 0 -3,-2.6 70,-3.2 20,-0.1 2,-0.4 0.145 89.3 70.0-100.5 15.4 22.3 35.2 25.9 13 11 A V E < +b 82 0A 3 -3,-0.9 2,-0.3 68,-0.2 70,-0.2 -0.986 60.1 145.3-132.0 141.5 24.4 33.2 28.3 14 12 A R E -b 83 0A 59 68,-0.9 70,-2.1 -2,-0.4 2,-0.4 -0.931 42.9-119.1-173.5 149.9 24.4 29.4 28.7 15 13 A H E -b 84 0A 84 -2,-0.3 70,-0.2 68,-0.2 -2,-0.0 -0.792 31.5-146.1 -93.4 136.7 26.4 26.3 29.5 16 14 A L E -b 85 0A 16 68,-2.7 70,-1.1 -2,-0.4 71,-0.1 -0.811 16.2-115.3-104.8 147.3 26.4 23.7 26.8 17 15 A P > - 0 0 83 0, 0.0 3,-0.6 0, 0.0 70,-0.2 -0.230 34.8 -91.7 -75.2 165.3 26.6 19.9 27.4 18 16 A K T 3 S+ 0 0 133 1,-0.2 3,-0.1 68,-0.1 67,-0.0 -0.240 105.1 43.4 -69.5 166.7 29.4 17.5 26.4 19 17 A E T 3 S+ 0 0 162 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.639 79.2 135.0 70.2 17.5 29.2 15.7 23.1 20 18 A V < - 0 0 28 -3,-0.6 -1,-0.2 -4,-0.1 2,-0.1 -0.784 46.0-137.1 -96.9 143.0 28.1 18.8 21.1 21 19 A S > - 0 0 56 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.326 30.1 -97.4 -89.6 175.5 29.7 19.6 17.8 22 20 A Q H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 126.4 49.2 -58.2 -45.6 30.9 22.9 16.4 23 21 A N H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.867 108.7 51.6 -62.7 -39.1 27.6 23.2 14.5 24 22 A D H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.937 109.9 50.9 -62.2 -46.1 25.5 22.4 17.5 25 23 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.929 111.1 47.1 -55.9 -50.1 27.3 25.1 19.5 26 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 114.1 46.9 -61.8 -43.3 26.7 27.7 16.8 27 25 A K H X S+ 0 0 90 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.873 112.9 50.4 -66.7 -35.5 23.0 26.8 16.5 28 26 A A H < S+ 0 0 31 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.925 113.6 43.3 -69.2 -43.2 22.6 26.8 20.3 29 27 A L H X S+ 0 0 1 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.806 114.5 51.2 -72.5 -28.4 24.2 30.2 20.7 30 28 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 3,-0.5 0.824 90.0 81.5 -77.4 -31.5 22.3 31.7 17.7 31 29 A S H X S+ 0 0 54 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.857 92.1 45.5 -41.3 -55.6 18.9 30.5 18.9 32 30 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 114.4 48.8 -61.0 -38.7 18.2 33.3 21.4 33 31 A L H X>S+ 0 0 0 -4,-0.5 5,-2.2 -3,-0.5 6,-0.8 0.924 111.6 50.1 -65.1 -44.3 19.4 36.0 18.9 34 32 A I H ><5S+ 0 0 45 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.927 111.9 47.7 -60.5 -45.5 17.2 34.5 16.2 35 33 A N H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.871 110.2 51.0 -65.9 -37.1 14.2 34.5 18.5 36 34 A D H 3<5S- 0 0 55 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.521 113.6-117.7 -77.7 -3.8 14.7 38.1 19.7 37 35 A G T <<5S+ 0 0 21 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.709 77.4 129.3 76.4 18.1 14.9 39.2 16.1 38 36 A M S - 0 0 35 34,-2.2 3,-2.2 -2,-0.3 4,-0.2 -0.279 49.3-103.6 -66.5 152.7 18.0 36.8 10.3 41 39 A S T 3 S+ 0 0 98 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.763 119.8 42.7 -49.4 -34.6 16.3 33.4 10.6 42 40 A D T >> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.1 3,-0.7 0.069 75.1 123.5-105.4 29.1 19.1 31.4 9.1 43 41 A F H <> + 0 0 0 -3,-2.2 4,-2.5 1,-0.2 3,-0.5 0.890 67.5 60.3 -52.3 -47.0 21.9 33.2 10.9 44 42 A A H 3> S+ 0 0 8 -3,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.874 104.9 48.6 -54.3 -40.0 23.4 30.0 12.4 45 43 A D H <> S+ 0 0 82 -3,-0.7 4,-2.4 2,-0.2 -1,-0.3 0.831 109.5 51.1 -72.3 -29.9 24.0 28.6 9.0 46 44 A H H X S+ 0 0 46 -4,-1.4 4,-2.4 -3,-0.5 -2,-0.2 0.896 111.7 48.9 -70.9 -37.4 25.7 31.7 7.7 47 45 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 22,-0.3 0.911 110.3 51.5 -65.3 -42.9 27.9 31.6 10.8 48 46 A I H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.960 111.1 46.0 -60.1 -50.6 28.7 27.9 10.2 49 47 A T H X S+ 0 0 72 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 114.1 49.6 -58.2 -45.1 29.7 28.5 6.6 50 48 A R H X S+ 0 0 62 -4,-2.4 4,-3.8 1,-0.2 -1,-0.2 0.927 110.1 50.6 -58.3 -47.8 31.8 31.5 7.6 51 49 A E H < S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.1 50.7 -60.3 -39.1 33.5 29.5 10.4 52 50 A Q H < S+ 0 0 106 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.874 119.3 37.6 -68.6 -35.7 34.4 26.7 8.1 53 51 A N H < S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.920 134.2 19.2 -81.3 -47.1 35.9 29.1 5.6 54 52 A F S < S- 0 0 139 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.843 86.6-147.6-127.7 90.1 37.6 31.6 8.0 55 53 A P - 0 0 26 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.143 6.5-155.2 -57.9 153.0 38.0 29.9 11.4 56 54 A T + 0 0 2 -5,-0.1 11,-1.5 2,-0.0 2,-0.3 0.008 39.2 139.9-122.1 29.1 37.8 32.0 14.6 57 55 A G E -Cd 66 93A 0 35,-1.9 37,-2.9 9,-0.2 38,-0.4 -0.553 34.4-159.8 -77.9 136.0 39.8 30.1 17.1 58 56 A L E -C 65 0A 13 7,-3.3 2,-1.9 -2,-0.3 7,-1.9 -0.957 10.3-148.3-117.1 111.9 42.0 32.0 19.5 59 57 A P + 0 0 75 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.171 42.4 150.5 -74.2 46.6 44.8 29.9 21.1 60 58 A V - 0 0 36 -2,-1.9 -2,-0.1 3,-0.2 69,-0.1 -0.476 43.6 -80.7 -81.5 153.0 44.9 31.9 24.3 61 59 A E S S- 0 0 161 1,-0.2 -1,-0.0 -2,-0.1 70,-0.0 -0.817 92.1 -10.0-107.6 145.1 45.9 30.2 27.6 62 60 A P S S+ 0 0 78 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.985 130.3 44.3 -95.2 -6.7 44.6 28.6 29.7 63 61 A V S S- 0 0 2 65,-0.2 -3,-0.2 41,-0.0 40,-0.1 -0.856 77.6-139.1-102.0 111.3 41.0 28.9 28.3 64 62 A G E - e 0 103A 4 38,-0.7 40,-2.5 -2,-0.7 41,-1.9 -0.400 22.6-160.8 -66.6 142.0 40.7 28.6 24.6 65 63 A V E -Ce 58 105A 0 -7,-1.9 -7,-3.3 38,-0.2 2,-0.3 -0.872 13.1-166.2-126.7 156.3 38.3 31.0 22.9 66 64 A A E -Ce 57 106A 0 39,-1.2 41,-2.8 -2,-0.3 -9,-0.2 -0.989 7.2-163.3-139.4 145.0 36.3 31.3 19.6 67 65 A I - 0 0 17 -11,-1.5 41,-0.1 -2,-0.3 -10,-0.1 -0.513 16.8-176.1-128.0 64.2 34.6 34.3 18.1 68 66 A P + 0 0 1 0, 0.0 41,-2.2 0, 0.0 2,-0.3 -0.318 18.4 143.6 -62.6 145.3 32.2 32.9 15.4 69 67 A H - 0 0 42 -22,-0.3 2,-0.2 39,-0.2 41,-0.1 -0.933 28.7-150.4-164.8 178.0 30.3 35.6 13.4 70 68 A T - 0 0 18 39,-0.5 41,-0.3 -2,-0.3 -23,-0.1 -0.747 46.9 -41.8-146.1-167.9 29.1 36.2 9.9 71 69 A D > - 0 0 59 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.334 49.3-125.2 -65.4 146.8 28.4 39.2 7.5 72 70 A H G > S+ 0 0 78 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.613 102.8 77.1 -70.0 -9.3 26.7 42.2 9.0 73 71 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 39,-0.1 0.696 93.2 53.9 -71.5 -15.9 23.9 42.1 6.4 74 72 A Y G < S+ 0 0 52 -3,-1.6 -34,-2.2 37,-0.2 2,-0.5 0.351 97.9 76.6 -98.1 3.8 22.5 39.2 8.5 75 73 A V B < +G 39 0B 13 -3,-1.3 -36,-0.2 -36,-0.2 3,-0.1 -0.962 46.3 173.0-116.6 127.0 22.5 41.2 11.7 76 74 A R S S+ 0 0 163 -38,-2.4 2,-0.3 -2,-0.5 -37,-0.2 0.535 75.5 28.0-109.5 -7.3 19.8 43.8 12.3 77 75 A Q S S- 0 0 87 -39,-1.7 -1,-0.3 -70,-0.0 -71,-0.1 -0.917 88.0-110.3-154.4 124.4 20.7 44.6 15.9 78 76 A N + 0 0 10 -2,-0.3 -71,-2.2 -73,-0.2 2,-0.3 -0.232 52.3 146.0 -55.9 135.7 24.1 44.3 17.6 79 77 A A E -aF 7 110A 0 31,-2.2 31,-2.6 -73,-0.2 2,-0.4 -0.986 37.9-138.9-165.1 162.6 24.4 41.6 20.2 80 78 A I E - F 0 109A 3 -73,-1.7 2,-0.5 -2,-0.3 -71,-0.3 -0.999 10.9-163.7-133.3 134.4 26.7 39.0 21.8 81 79 A S E - F 0 108A 0 27,-2.1 27,-2.9 -2,-0.4 2,-0.4 -0.988 13.5-155.3-120.9 122.8 25.7 35.4 22.7 82 80 A V E -bF 13 107A 0 -70,-3.2 -68,-0.9 -2,-0.5 2,-0.4 -0.824 9.0-170.5-105.3 137.5 28.1 33.6 25.1 83 81 A G E -bF 14 106A 0 23,-2.5 23,-2.8 -2,-0.4 2,-0.6 -0.984 10.7-159.4-128.8 133.3 28.6 29.8 25.5 84 82 A I E -bF 15 105A 2 -70,-2.1 -68,-2.7 -2,-0.4 2,-0.3 -0.950 22.6-142.9-109.6 114.2 30.5 27.9 28.1 85 83 A L E -b 16 0A 2 19,-3.4 -67,-0.1 -2,-0.6 -70,-0.0 -0.578 9.3-140.9 -83.7 139.2 31.5 24.4 26.9 86 84 A A E S+ 0 0 42 -70,-1.1 -68,-0.1 -2,-0.3 -1,-0.1 0.795 91.7 9.8 -64.8 -30.5 31.4 21.4 29.2 87 85 A E E S- 0 0 57 -70,-0.2 -1,-0.1 16,-0.1 -71,-0.1 -0.948 102.4 -80.1-143.6 157.5 34.6 20.1 27.6 88 86 A P E - 0 0 71 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.363 42.3-159.7 -64.7 140.8 36.9 21.7 25.1 89 87 A V E - F 0 103A 19 14,-2.7 14,-2.7 12,-0.1 2,-0.3 -0.975 22.5-110.6-122.2 136.6 35.8 21.7 21.5 90 88 A N E + F 0 102A 93 -2,-0.4 2,-0.4 12,-0.2 -68,-0.1 -0.481 35.3 174.3 -72.9 129.6 38.2 22.1 18.6 91 89 A F E - F 0 101A 2 10,-2.0 10,-4.0 -2,-0.3 2,-0.1 -0.969 37.4-106.9-128.1 143.1 38.1 25.2 16.5 92 90 A E - 0 0 115 -2,-0.4 -35,-1.9 8,-0.2 2,-0.3 -0.430 45.0 -94.3 -70.6 147.7 40.6 25.9 13.8 93 91 A D B > -d 57 0A 14 4,-0.6 3,-2.0 6,-0.3 -35,-0.2 -0.433 21.6-145.6 -66.1 124.3 43.2 28.6 14.6 94 92 A M T 3 S+ 0 0 101 -37,-2.9 -1,-0.2 1,-0.3 -36,-0.1 0.843 102.1 58.4 -58.1 -31.1 42.2 32.0 13.3 95 93 A G T 3 S- 0 0 59 -38,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.565 118.0-112.0 -76.7 -8.5 45.9 32.6 12.7 96 94 A G < + 0 0 63 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.409 62.4 154.6 93.9 -4.5 46.2 29.6 10.4 97 95 A E - 0 0 119 1,-0.1 -4,-0.6 2,-0.1 -1,-0.3 -0.189 49.6-123.6 -56.2 151.3 48.3 27.6 12.7 98 96 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.889 88.3 80.4 -65.5 -45.3 48.2 23.7 12.3 99 97 A D S S- 0 0 123 -7,-0.1 -6,-0.3 1,-0.1 -3,-0.1 -0.443 82.8-127.0 -67.3 133.1 47.1 22.8 15.9 100 98 A P - 0 0 62 0, 0.0 -8,-0.2 0, 0.0 -1,-0.1 -0.346 24.5-109.1 -75.1 165.2 43.4 23.3 16.5 101 99 A V E - F 0 91A 1 -10,-4.0 -10,-2.0 -2,-0.0 2,-1.6 -0.847 17.5-137.0 -98.9 125.0 42.3 25.4 19.4 102 100 A P E - 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0 0 55 -3,-1.0 4,-2.6 -4,-0.4 5,-0.3 -0.658 61.5-172.0 -86.9 83.0 42.4 38.6 31.8 131 129 A E H > S+ 0 0 122 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.875 79.8 46.3 -41.5 -56.4 43.4 35.2 33.2 132 130 A D H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 111.3 51.0 -58.5 -48.5 41.3 35.4 36.3 133 131 A F H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.942 112.9 46.8 -55.0 -49.8 38.2 36.7 34.6 134 132 A M H X S+ 0 0 0 -4,-2.6 4,-0.6 -7,-0.3 -1,-0.2 0.872 110.9 51.1 -61.5 -40.0 38.4 33.8 32.1 135 133 A Q H >< S+ 0 0 84 -4,-2.5 3,-1.3 -5,-0.3 4,-0.3 0.909 106.1 55.7 -65.1 -41.2 38.9 31.2 34.8 136 134 A Q H >X S+ 0 0 84 -4,-2.5 4,-2.8 1,-0.3 3,-1.4 0.806 96.6 64.4 -61.3 -29.5 35.9 32.5 36.7 137 135 A L H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.773 99.7 54.5 -65.5 -23.3 33.7 32.0 33.6 138 136 A L T << S+ 0 0 57 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.557 117.5 34.6 -86.4 -7.6 34.4 28.3 34.0 139 137 A V T <4 S+ 0 0 97 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.733 97.6 86.6-113.5 -35.5 33.2 28.3 37.7 140 138 A M S < S- 0 0 26 -4,-2.8 2,-0.1 1,-0.1 0, 0.0 -0.251 74.6-117.1 -70.2 155.2 30.3 30.8 37.9 141 139 A N > - 0 0 79 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.315 41.6 -89.2 -81.7 174.9 26.7 29.9 37.2 142 140 A D H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 126.9 50.5 -54.7 -44.0 24.8 31.6 34.3 143 141 A D H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 112.8 47.7 -62.7 -40.6 23.5 34.5 36.4 144 142 A E H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 112.6 47.0 -66.2 -46.0 27.1 35.2 37.7 145 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.930 113.8 51.2 -59.8 -43.8 28.6 35.0 34.2 146 144 A Y H X S+ 0 0 49 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.953 111.1 45.6 -57.5 -54.0 25.8 37.3 33.0 147 145 A Q H X S+ 0 0 114 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.927 116.0 46.5 -56.3 -49.6 26.4 39.9 35.7 148 146 A S H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.905 116.5 41.8 -63.3 -45.3 30.2 39.9 35.3 149 147 A I H X S+ 0 0 3 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.949 114.3 52.7 -68.4 -46.6 30.2 40.1 31.5 150 148 A Y H X S+ 0 0 112 -4,-2.9 4,-2.3 -5,-0.3 5,-0.4 0.958 112.6 44.6 -50.9 -57.3 27.4 42.7 31.5 151 149 A T H X S+ 0 0 53 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.941 110.0 55.5 -52.5 -51.5 29.3 44.9 33.9 152 150 A R H < S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 111.7 45.8 -50.1 -42.0 32.5 44.3 31.9 153 151 A I H < S+ 0 0 15 -4,-2.6 -2,-0.2 -3,-0.3 -1,-0.2 0.972 124.7 26.0 -66.5 -58.8 30.6 45.6 28.8 154 152 A S H < 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.795 360.0 360.0 -80.1 -32.1 28.9 48.7 30.2 155 153 A E < 0 0 192 -4,-3.2 -1,-0.2 -5,-0.4 -4,-0.0 -0.462 360.0 360.0 -83.6 360.0 31.1 49.7 33.1 156 !* 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 0.0 157 0 B A > 0 0 29 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -76.2 -3.6 -12.2 5.0 158 1 B M G > + 0 0 2 1,-0.3 3,-1.0 2,-0.2 154,-0.1 0.728 360.0 80.0 -56.4 -20.8 -0.8 -9.6 5.3 159 2 B Q G 3 S+ 0 0 114 1,-0.2 -1,-0.3 153,-0.2 153,-0.1 0.677 95.4 39.9 -63.3 -20.5 0.8 -11.8 2.6 160 3 B D G < S+ 0 0 114 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.419 85.7 116.5-110.2 0.1 -1.2 -10.2 -0.2 161 4 B I S < S- 0 0 19 -3,-1.0 2,-0.7 -4,-0.4 73,-0.2 -0.410 71.4-118.8 -66.9 143.7 -1.2 -6.6 1.0 162 5 B H B +h 234 0C 68 71,-2.6 73,-1.0 -2,-0.1 2,-0.4 -0.793 41.3 169.7 -88.2 116.0 0.6 -4.3 -1.5 163 6 B F - 0 0 17 -2,-0.7 2,-0.3 71,-0.2 73,-0.1 -0.962 7.9-178.4-131.8 113.0 3.5 -2.8 0.4 164 7 B R > - 0 0 95 -2,-0.4 3,-2.5 71,-0.3 4,-0.1 -0.735 40.9-105.9-114.0 161.6 6.1 -0.8 -1.7 165 8 B R G > S+ 0 0 96 1,-0.3 3,-1.1 -2,-0.3 136,-0.1 0.846 118.8 54.5 -51.0 -40.5 9.3 1.0 -0.9 166 9 B H G 3 S+ 0 0 75 1,-0.3 -1,-0.3 21,-0.1 131,-0.0 0.363 89.8 77.7 -81.0 11.1 7.6 4.4 -1.3 167 10 B Y G < S+ 0 0 0 -3,-2.5 70,-3.7 20,-0.1 2,-0.4 0.242 83.5 75.3 -97.6 10.3 5.0 3.5 1.3 168 11 B V E < +i 237 0C 1 -3,-1.1 2,-0.3 68,-0.2 70,-0.2 -0.991 64.7 165.2-120.9 129.3 7.5 4.1 4.1 169 12 B R E -i 238 0C 70 68,-1.9 70,-2.5 -2,-0.4 2,-0.5 -0.994 35.3-142.3-153.1 141.8 8.3 7.7 5.0 170 13 B H E -i 239 0C 75 -2,-0.3 70,-0.2 68,-0.2 -2,-0.0 -0.873 28.7-151.8 -98.4 131.0 10.0 9.9 7.6 171 14 B L E -i 240 0C 16 68,-2.6 70,-1.2 -2,-0.5 71,-0.1 -0.829 12.3-118.6-107.9 146.0 8.0 13.1 8.1 172 15 B P - 0 0 82 0, 0.0 3,-0.4 0, 0.0 70,-0.2 -0.257 34.4 -99.4 -73.7 163.8 9.5 16.5 9.2 173 16 B K S S+ 0 0 90 1,-0.2 3,-0.1 68,-0.1 71,-0.0 -0.364 101.4 56.1 -78.4 166.8 8.4 18.2 12.4 174 17 B E S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.693 75.8 129.3 82.7 19.7 5.9 21.1 12.1 175 18 B V - 0 0 34 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.1 -0.882 52.8-134.3-105.6 138.3 3.4 18.9 10.3 176 19 B S > - 0 0 57 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.298 30.5-100.3 -81.8 175.6 -0.2 18.9 11.6 177 20 B Q H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.936 125.1 50.1 -60.9 -46.3 -2.2 15.7 12.0 178 21 B N H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 106.8 54.5 -61.5 -36.6 -4.0 16.4 8.7 179 22 B D H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 107.0 51.7 -64.8 -40.3 -0.7 17.0 6.9 180 23 B I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.952 109.1 49.8 -60.8 -49.9 0.5 13.6 8.0 181 24 B I H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 113.4 45.5 -55.2 -47.1 -2.6 11.9 6.7 182 25 B K H X S+ 0 0 88 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 111.9 52.8 -65.2 -41.4 -2.3 13.5 3.3 183 26 B A H < S+ 0 0 31 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 113.6 41.6 -60.5 -45.7 1.4 12.8 3.2 184 27 B L H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.800 114.4 51.6 -74.1 -28.2 0.9 9.1 3.9 185 28 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 3,-0.3 0.783 91.5 82.6 -77.5 -26.5 -2.1 8.8 1.6 186 29 B S H X S+ 0 0 52 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.848 91.4 42.6 -44.5 -54.7 -0.2 10.4 -1.3 187 30 B P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.858 113.9 53.5 -65.0 -35.6 1.6 7.4 -2.7 188 31 B L H <>S+ 0 0 0 -4,-0.5 5,-2.8 -3,-0.3 6,-0.8 0.914 112.1 44.7 -64.1 -43.5 -1.5 5.2 -2.3 189 32 B I H ><5S+ 0 0 46 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.935 113.2 49.5 -66.7 -47.2 -3.4 7.8 -4.3 190 33 B N H 3<5S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.777 112.1 49.0 -64.1 -26.1 -0.7 8.1 -6.9 191 34 B D T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.498 113.5-121.0 -89.5 -6.2 -0.5 4.3 -7.2 192 35 B G T < 5S+ 0 0 18 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.783 74.8 127.5 72.3 30.6 -4.3 4.1 -7.6 193 36 B M S - 0 0 39 34,-2.1 3,-1.9 -2,-0.3 4,-0.2 -0.316 48.5-105.6 -70.2 158.1 -9.8 7.0 -4.3 196 39 B S T 3 S+ 0 0 103 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.748 120.5 43.0 -58.1 -26.2 -8.3 10.4 -5.0 197 40 B D T >> S+ 0 0 64 1,-0.2 4,-1.2 2,-0.1 3,-0.7 0.002 71.9 126.3-111.3 31.5 -9.8 11.9 -1.9 198 41 B F H <> + 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.818 68.5 63.5 -55.1 -33.4 -9.0 9.0 0.5 199 42 B A H 3> S+ 0 0 10 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.895 98.5 51.5 -61.6 -43.3 -7.3 11.5 2.8 200 43 B D H <> S+ 0 0 79 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.889 111.6 48.4 -61.7 -38.8 -10.5 13.5 3.5 201 44 B H H X S+ 0 0 37 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.883 111.2 48.3 -69.6 -39.9 -12.3 10.3 4.4 202 45 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 22,-0.2 0.938 113.5 49.5 -63.6 -44.3 -9.4 9.1 6.7 203 46 B I H X S+ 0 0 16 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.858 110.6 49.8 -61.1 -39.2 -9.5 12.6 8.3 204 47 B T H X S+ 0 0 75 -4,-2.2 4,-1.3 2,-0.2 3,-0.4 0.927 110.9 48.8 -67.4 -44.3 -13.3 12.4 8.7 205 48 B R H X S+ 0 0 65 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.880 106.5 57.8 -62.8 -37.1 -13.0 8.9 10.4 206 49 B E H < S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 102.6 54.9 -63.2 -32.7 -10.3 10.2 12.7 207 50 B Q H < S+ 0 0 129 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.905 120.3 27.7 -67.8 -43.0 -12.6 12.9 14.0 208 51 B N H < S+ 0 0 103 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.731 136.1 27.9 -90.8 -28.2 -15.4 10.7 15.1 209 52 B F S < S- 0 0 132 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.704 82.8-154.8-137.3 82.2 -13.4 7.5 15.7 210 53 B P - 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0 0 73 1,-0.1 3,-1.0 -42,-0.0 4,-0.5 -0.997 65.7-143.1-148.2 139.8 -12.6 -5.9 2.2 269 112 B S H >> S+ 0 0 88 -2,-0.3 3,-0.9 1,-0.2 4,-0.6 0.819 94.5 72.4 -68.4 -33.3 -14.0 -6.5 5.7 270 113 B N H 34 S+ 0 0 112 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.596 105.1 40.7 -61.1 -9.1 -12.9 -10.2 5.9 271 114 B K H <> S+ 0 0 44 -3,-1.0 4,-2.9 2,-0.1 5,-0.3 0.571 91.2 87.2-113.6 -14.1 -9.3 -9.0 6.3 272 115 B Q H S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 116.1 40.3 -61.6 -50.1 -6.8 -10.1 10.8 275 118 B V H X S+ 0 0 3 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.926 115.8 51.6 -63.3 -46.1 -4.7 -7.1 9.5 276 119 B L H X S+ 0 0 32 -4,-3.5 4,-2.5 -5,-0.3 -2,-0.2 0.914 110.6 49.1 -57.6 -43.2 -5.7 -5.0 12.6 277 120 B G H X S+ 0 0 30 -4,-3.2 4,-2.2 -5,-0.3 -1,-0.2 0.929 108.7 53.2 -62.0 -43.5 -4.6 -7.9 14.8 278 121 B W H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 110.6 47.0 -56.1 -46.1 -1.3 -8.2 12.9 279 122 B I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.904 108.8 55.2 -62.8 -43.6 -0.6 -4.5 13.4 280 123 B M H X S+ 0 0 76 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.877 108.5 47.7 -59.3 -39.7 -1.5 -4.8 17.1 281 124 B D H >< S+ 0 0 82 -4,-2.2 3,-0.9 2,-0.2 -1,-0.2 0.974 111.9 51.3 -63.1 -53.2 1.1 -7.5 17.6 282 125 B V H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 7,-0.3 0.903 106.5 51.8 -49.3 -52.7 3.6 -5.5 15.8 283 126 B I H 3< S+ 0 0 5 -4,-2.9 -1,-0.3 1,-0.3 -65,-0.2 0.773 106.2 56.9 -61.0 -24.6 3.1 -2.3 17.8 284 127 B Q T << S+ 0 0 127 -4,-1.1 2,-0.5 -3,-0.9 -1,-0.3 -0.095 80.0 98.5 -98.5 35.5 3.6 -4.4 21.0 285 128 B D <> - 0 0 53 -3,-1.5 4,-2.7 1,-0.2 3,-0.4 -0.839 61.1-162.8-120.8 85.5 7.0 -5.6 19.9 286 129 B E H > S+ 0 0 76 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.805 86.3 42.2 -36.1 -52.5 9.3 -3.3 21.9 287 130 B D H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 112.3 53.4 -69.9 -39.8 12.4 -3.9 19.8 288 131 B F H > S+ 0 0 11 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.966 114.4 42.9 -58.1 -51.9 10.6 -3.9 16.5 289 132 B M H X S+ 0 0 1 -4,-2.7 4,-1.3 -7,-0.3 3,-0.3 0.937 112.9 50.9 -60.5 -48.4 9.1 -0.5 17.3 290 133 B Q H < S+ 0 0 78 -4,-2.6 4,-0.4 -5,-0.3 3,-0.3 0.863 107.2 55.7 -59.9 -33.7 12.3 0.9 18.7 291 134 B Q H >X S+ 0 0 87 -4,-2.5 4,-3.0 1,-0.2 3,-1.6 0.898 101.9 56.7 -64.4 -38.6 14.1 -0.2 15.6 292 135 B L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.821 100.1 59.6 -60.6 -31.7 11.6 1.8 13.5 293 136 B L T 3< S+ 0 0 62 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.595 119.1 27.3 -74.1 -10.6 12.6 4.9 15.5 294 137 B V T <4 S+ 0 0 118 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.703 98.9 87.2-122.2 -31.5 16.2 4.5 14.3 295 138 B M S < S- 0 0 31 -4,-3.0 2,-0.1 -5,-0.1 0, 0.0 -0.306 72.8-118.4 -72.9 156.4 16.4 2.8 11.0 296 139 B N > - 0 0 77 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.349 39.3 -87.8 -85.6 175.3 16.2 4.6 7.7 297 140 B D H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 125.4 51.4 -53.7 -40.0 13.4 4.0 5.1 298 141 B D H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.960 114.0 44.1 -63.4 -49.6 15.2 1.2 3.3 299 142 B E H > S+ 0 0 91 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.909 114.2 49.2 -61.9 -45.1 15.8 -0.7 6.5 300 143 B I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.955 112.5 48.0 -61.3 -48.0 12.3 -0.1 7.8 301 144 B Y H X S+ 0 0 46 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.944 114.0 47.8 -57.1 -46.1 10.8 -1.3 4.5 302 145 B Q H X S+ 0 0 101 -4,-2.9 4,-2.2 -5,-0.2 5,-0.3 0.912 111.9 49.8 -61.0 -43.7 13.1 -4.3 4.6 303 146 B S H X S+ 0 0 22 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.945 115.3 41.2 -61.4 -51.0 12.2 -5.1 8.2 304 147 B I H X S+ 0 0 3 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.894 113.1 55.6 -64.7 -41.3 8.4 -4.9 7.7 305 148 B Y H X S+ 0 0 117 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.935 111.9 40.2 -58.0 -52.7 8.6 -6.7 4.4 306 149 B T H X S+ 0 0 63 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.859 109.4 60.8 -68.6 -33.0 10.4 -9.8 5.7 307 150 B R H >X S+ 0 0 64 -4,-1.9 4,-1.9 -5,-0.3 3,-0.5 0.884 105.9 47.8 -60.4 -35.7 8.3 -9.7 8.9 308 151 B I H 3< S+ 0 0 17 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.801 99.1 67.8 -72.9 -28.7 5.3 -10.2 6.6 309 152 B S H 3< S+ 0 0 79 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.807 113.4 32.4 -59.1 -28.5 7.1 -13.0 4.8 310 153 B E H << S+ 0 0 123 -4,-1.0 2,-0.6 -3,-0.5 -2,-0.2 0.904 122.4 40.4 -89.3 -76.4 6.7 -14.8 8.1 311 154 B R < 0 0 118 -4,-1.9 -1,-0.3 -5,-0.1 -33,-0.0 -0.675 360.0 360.0 -82.4 116.3 3.4 -13.6 9.7 312 155 B G 0 0 26 -2,-0.6 -153,-0.2 -3,-0.1 -1,-0.1 -0.397 360.0 360.0-144.5 360.0 0.6 -13.3 7.1