==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-MAY-08 3D5N . COMPND 2 MOLECULE: Q97W15_SULSO; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.LEE,R.E.FOOTE, . 1377 14 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1049 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 179 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 9.2 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 . 16 1.2 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 . 134 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 301 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 19.2 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+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 15 2 4 5 7 8 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 6 7 7 10 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 . 7 17 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 0 0 0 0 0 0 1 0 2 1 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 X 0 0 156 0, 0.0 2,-1.3 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0-123.6 71.1 107.8 46.9 2 2 A N + 0 0 73 84,-0.1 87,-1.7 2,-0.0 86,-1.2 -0.554 360.0 154.3 -76.9 94.0 72.9 104.7 48.0 3 3 A I E -a 89 0A 13 -2,-1.3 39,-0.6 85,-0.2 2,-0.4 -0.972 24.1-165.1-125.7 131.1 75.5 105.8 50.5 4 4 A G E -ab 90 42A 0 85,-2.2 87,-2.9 -2,-0.4 2,-0.5 -0.920 12.6-143.0-113.7 137.9 77.1 103.9 53.3 5 5 A V E -a 91 0A 0 37,-3.2 2,-0.7 -2,-0.4 39,-0.3 -0.870 9.7-163.9-100.6 127.1 79.0 105.4 56.1 6 6 A I E -a 92 0A 0 85,-3.0 87,-1.8 -2,-0.5 2,-0.9 -0.938 5.6-159.8-110.3 108.4 82.0 103.4 57.4 7 7 A I E -ac 93 45A 0 37,-3.2 39,-2.4 -2,-0.7 2,-0.4 -0.810 8.6-152.7 -92.1 105.3 83.1 104.7 60.8 8 8 A L E +ac 94 46A 7 85,-3.0 87,-3.4 -2,-0.9 88,-0.2 -0.669 35.8 146.7 -78.1 125.5 86.7 103.6 61.3 9 9 A A + 0 0 5 37,-1.9 9,-0.4 -2,-0.4 39,-0.4 0.091 28.5 118.1-148.3 21.3 87.4 103.3 65.0 10 10 A A S S- 0 0 3 37,-0.2 85,-0.1 7,-0.1 37,-0.1 -0.337 71.6-115.7 -81.7 174.2 89.9 100.4 65.1 11 11 A G + 0 0 0 6,-0.1 4,-0.2 -2,-0.1 6,-0.1 0.132 52.0 158.3-105.0 27.0 93.4 101.2 66.6 12 12 A E > - 0 0 3 2,-0.1 3,-1.7 60,-0.1 58,-0.2 0.006 58.7 -4.9 -48.0 149.2 95.5 100.6 63.5 13 13 A G T 3 S- 0 0 36 56,-0.3 59,-0.1 57,-0.3 58,-0.0 -0.290 125.6 -44.5 60.6-150.6 99.0 102.2 63.3 14 14 A K T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.023 108.7 126.9 -98.0 24.9 99.7 104.6 66.2 15 15 A R < - 0 0 88 -3,-1.7 -4,-0.0 -4,-0.2 -2,-0.0 -0.074 67.9 -82.5 -72.4 177.8 96.1 105.9 65.6 16 16 A F + 0 0 17 3,-0.1 -1,-0.2 4,-0.1 33,-0.2 -0.145 53.5 156.7 -74.9 176.2 93.4 106.1 68.3 17 17 A G - 0 0 0 -6,-0.1 2,-2.5 32,-0.1 3,-0.4 -0.240 55.3 -31.2 156.8 114.9 91.2 103.3 69.4 18 18 A G S S+ 0 0 0 -9,-0.4 4,-0.2 1,-0.3 13,-0.1 -0.356 125.9 49.3 70.5 -69.6 89.1 102.0 72.3 19 19 A D S > S+ 0 0 52 -2,-2.5 3,-2.0 2,-0.2 4,-0.4 1.000 119.2 35.3 -64.6 -67.5 91.0 103.5 75.1 20 20 A K G > S+ 0 0 96 -3,-0.4 3,-2.0 1,-0.3 10,-0.3 0.902 113.6 59.3 -52.0 -48.8 91.3 107.1 73.8 21 21 A L G 3 S+ 0 0 1 1,-0.3 10,-1.8 9,-0.1 11,-0.3 0.461 95.1 65.4 -63.8 -1.2 87.8 107.0 72.1 22 22 A L G < S+ 0 0 11 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.602 78.9 103.9 -95.3 -13.9 86.2 106.3 75.5 23 23 A A S < S- 0 0 52 -3,-2.0 7,-2.9 -4,-0.4 8,-0.2 -0.225 71.1-115.2 -63.2 157.4 87.1 109.7 76.9 24 24 A K B -Q 29 0B 55 5,-0.3 2,-0.2 6,-0.1 -1,-0.1 -0.457 23.6-170.5-100.0 168.9 84.4 112.4 77.1 25 25 A I S S- 0 0 37 3,-1.2 3,-0.4 -2,-0.1 8,-0.0 -0.754 91.0 -8.1-155.7 97.7 83.5 115.7 75.6 26 26 A D S S- 0 0 129 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.913 133.6 -54.4 75.0 41.7 80.6 117.5 77.2 27 27 A N S S+ 0 0 69 1,-0.1 -1,-0.2 1239,-0.0 1237,-0.1 0.473 118.0 106.1 72.7 1.0 79.9 114.3 79.3 28 28 A T S S- 0 0 14 -3,-0.4 -3,-1.2 1235,-0.1 -1,-0.1 -0.961 76.6-107.4-123.4 134.7 79.7 112.1 76.3 29 29 A P B > -Q 24 0B 0 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.199 30.1-124.9 -50.2 134.0 82.2 109.5 75.0 30 30 A I H >> S+ 0 0 5 -7,-2.9 4,-2.6 -10,-0.3 3,-0.5 0.932 107.9 52.5 -49.0 -59.8 84.0 110.6 71.8 31 31 A I H 3> S+ 0 0 0 -10,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.857 110.4 50.8 -46.9 -41.4 83.1 107.6 69.6 32 32 A X H 3> S+ 0 0 22 -3,-0.3 4,-1.6 -11,-0.3 -1,-0.3 0.899 109.4 48.8 -65.5 -41.6 79.5 108.1 70.6 33 33 A R H < S+ 0 0 9 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.848 103.7 65.5 -66.2 -32.2 78.6 108.3 65.4 36 36 A R H >< S+ 0 0 103 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.846 91.2 61.8 -59.6 -36.2 75.9 110.9 66.3 37 37 A I H 3< S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.827 97.0 56.9 -64.4 -30.4 76.8 113.3 63.5 38 38 A Y T X< S+ 0 0 5 -3,-0.8 3,-2.3 -4,-0.6 -1,-0.3 0.325 85.4 177.4 -85.2 12.4 76.0 110.8 60.8 39 39 A G T < - 0 0 25 -3,-1.6 -1,-0.2 1,-0.3 4,-0.2 0.228 61.4 -2.4 26.0-125.4 72.4 110.4 62.1 40 40 A D T 3 S+ 0 0 111 2,-0.1 -1,-0.3 -4,-0.0 -2,-0.1 0.373 100.0 117.4 -77.1 6.3 70.1 108.1 60.2 41 41 A L S < S- 0 0 53 -3,-2.3 2,-1.1 1,-0.1 -37,-0.1 -0.303 84.8 -89.0 -66.3 159.5 72.6 107.3 57.5 42 42 A E B -b 4 0A 87 -39,-0.6 -37,-3.2 -36,-0.0 -1,-0.1 -0.609 57.9-173.5 -75.5 101.1 73.6 103.6 57.2 43 43 A K - 0 0 46 -2,-1.1 2,-0.3 -39,-0.2 -37,-0.2 -0.398 19.2-175.8 -92.3 167.7 76.6 103.4 59.6 44 44 A I - 0 0 0 -39,-0.3 -37,-3.2 -2,-0.1 2,-0.5 -0.876 15.5-149.4-160.2 125.0 79.0 100.5 60.3 45 45 A I E -cd 7 63A 0 17,-2.6 19,-2.6 -2,-0.3 2,-0.7 -0.934 4.7-152.1-107.9 126.7 81.6 100.8 63.0 46 46 A I E -cd 8 64A 0 -39,-2.4 -37,-1.9 -2,-0.5 2,-0.4 -0.860 19.1-171.9 -99.3 113.6 84.9 98.9 62.5 47 47 A V E + d 0 65A 0 17,-2.7 19,-2.6 -2,-0.7 -37,-0.2 -0.875 22.6 136.5-112.7 135.4 86.5 98.1 65.8 48 48 A G > + 0 0 0 -2,-0.4 3,-1.8 -39,-0.4 -1,-0.1 0.336 59.1 46.1-129.7 -85.2 89.8 96.6 66.5 49 49 A K T 3 S+ 0 0 79 1,-0.3 3,-0.2 -33,-0.2 -39,-0.1 0.715 128.0 16.3 -41.2 -48.4 92.2 97.6 69.2 50 50 A Y T >> + 0 0 37 1,-0.1 4,-2.4 2,-0.1 3,-0.8 -0.322 69.3 151.9-128.1 52.6 89.9 97.9 72.1 51 51 A V H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 -1,-0.1 0.865 76.1 56.5 -43.9 -46.7 86.7 96.0 71.1 52 52 A N H 34 S+ 0 0 57 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.847 110.2 41.2 -59.8 -41.2 86.0 95.2 74.7 53 53 A E H <4 S+ 0 0 17 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.937 119.1 47.7 -70.3 -49.1 86.0 98.9 75.9 54 54 A X H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.4 0.882 96.3 66.5 -58.8 -53.2 84.1 100.1 72.8 55 55 A L G >< S+ 0 0 3 -4,-2.8 3,-2.8 1,-0.3 4,-0.3 0.829 87.3 63.3 -47.2 -49.3 81.2 97.7 72.5 56 56 A P G 3 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.684 108.0 48.6 -55.5 -12.0 79.1 98.4 75.6 57 57 A L G < S+ 0 0 3 -3,-2.1 -2,-0.2 -4,-0.2 3,-0.1 0.492 112.2 47.3-100.7 -8.9 78.7 101.9 74.1 58 58 A L X + 0 0 1 -3,-2.8 3,-2.5 -4,-0.4 -1,-0.1 0.027 67.0 129.7-119.1 23.9 77.7 100.7 70.6 59 59 A X T 3 S+ 0 0 14 -4,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.692 77.6 47.8 -55.4 -20.0 75.1 98.1 71.6 60 60 A D T 3 S+ 0 0 41 -3,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.081 103.0 80.5-107.2 22.6 72.7 99.6 69.1 61 61 A Q S < S- 0 0 20 -3,-2.5 2,-0.8 -6,-0.2 -3,-0.1 -0.800 85.7-106.5-123.6 165.5 75.1 99.7 66.2 62 62 A I - 0 0 25 -2,-0.3 -17,-2.6 175,-0.1 2,-0.5 -0.847 45.0-172.4 -92.6 114.2 76.4 97.3 63.6 63 63 A V E -dE 45 236A 3 173,-1.0 173,-3.3 -2,-0.8 2,-0.6 -0.927 15.7-166.3-115.1 128.6 80.0 96.6 64.7 64 64 A I E -dE 46 235A 0 -19,-2.6 -17,-2.7 -2,-0.5 2,-0.6 -0.959 14.5-147.1-112.2 122.7 82.6 94.6 62.8 65 65 A Y E -dE 47 234A 7 169,-3.1 169,-1.1 -2,-0.6 -17,-0.2 -0.790 8.7-148.3 -89.1 123.0 85.6 93.6 64.8 66 66 A N > - 0 0 0 -19,-2.6 3,-1.8 -2,-0.6 4,-0.2 -0.791 11.9-171.0 -94.7 102.6 88.7 93.6 62.7 67 67 A P T 3 S+ 0 0 24 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.622 88.7 55.2 -67.8 -7.0 91.1 90.9 64.0 68 68 A F T > + 0 0 104 1,-0.1 3,-2.0 2,-0.1 4,-0.5 0.231 68.1 114.8-108.0 13.3 93.7 92.3 61.5 69 69 A W G X + 0 0 44 -3,-1.8 3,-1.7 1,-0.3 -56,-0.3 0.835 69.4 64.8 -51.3 -38.4 93.6 95.9 62.7 70 70 A N G 3 S+ 0 0 130 1,-0.3 -57,-0.3 -3,-0.2 -1,-0.3 0.777 93.8 63.8 -56.2 -28.6 97.2 95.7 63.8 71 71 A E G < S- 0 0 119 -3,-2.0 -1,-0.3 1,-0.2 2,-0.2 0.751 118.7 -79.5 -70.7 -26.9 98.1 95.2 60.2 72 72 A G X> - 0 0 1 -3,-1.7 3,-1.0 -4,-0.5 4,-0.6 -0.662 39.6 -77.4 142.4 163.7 96.9 98.6 59.1 73 73 A I H >> S+ 0 0 12 1,-0.2 4,-2.6 -2,-0.2 3,-0.6 0.757 115.8 66.7 -66.1 -27.1 94.0 100.9 58.3 74 74 A S H 3> S+ 0 0 2 72,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.835 96.5 60.5 -62.2 -28.6 93.5 99.5 54.7 75 75 A T H <> S+ 0 0 20 -3,-1.0 4,-1.1 71,-0.8 -1,-0.2 0.858 109.0 39.4 -66.4 -37.1 92.5 96.3 56.5 76 76 A S H X S+ 0 0 14 -4,-1.1 3,-0.9 -5,-0.2 4,-0.7 0.968 112.0 40.1 -61.5 -51.2 86.4 95.1 55.8 80 80 A G H >X S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.844 106.2 64.6 -66.9 -34.2 83.7 97.8 55.9 81 81 A L H 3< S+ 0 0 13 -4,-1.9 3,-0.5 -5,-0.2 4,-0.3 0.747 92.2 64.5 -63.0 -22.4 83.6 98.2 52.1 82 82 A R H X< S+ 0 0 50 -4,-1.0 3,-1.0 -3,-0.9 4,-0.3 0.912 97.3 55.5 -65.3 -40.5 82.4 94.7 51.7 83 83 A F H << S+ 0 0 7 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.722 123.1 26.6 -65.2 -20.5 79.2 95.6 53.5 84 84 A F T >< S+ 0 0 0 -4,-0.7 3,-2.4 -3,-0.5 -1,-0.3 0.143 80.4 126.4-128.0 18.8 78.6 98.4 51.0 85 85 A K T < S+ 0 0 100 -3,-1.0 -2,-0.1 -4,-0.3 -3,-0.1 0.823 79.7 42.9 -50.6 -38.0 80.4 97.1 47.9 86 86 A D T 3 S+ 0 0 115 -4,-0.3 -1,-0.3 -3,-0.1 -84,-0.1 0.350 93.1 107.5 -92.2 7.8 77.4 97.5 45.6 87 87 A Y S < S- 0 0 21 -3,-2.4 -84,-0.1 1,-0.1 48,-0.1 -0.346 81.1-115.3 -77.8 166.5 76.4 101.0 47.0 88 88 A D S S- 0 0 62 -86,-1.2 47,-2.9 1,-0.2 2,-0.3 0.891 87.5 -19.8 -70.8 -37.6 77.0 104.1 45.0 89 89 A A E -aF 3 134A 0 -87,-1.7 -85,-2.2 45,-0.3 2,-0.4 -0.985 57.1-132.3-163.0 163.7 79.5 105.5 47.5 90 90 A V E -aF 4 133A 2 43,-2.6 43,-2.3 -2,-0.3 2,-0.7 -0.984 15.2-136.3-127.8 138.8 80.7 105.3 51.0 91 91 A L E -aF 5 132A 0 -87,-2.9 -85,-3.0 -2,-0.4 2,-1.1 -0.843 21.0-149.6 -90.7 117.4 81.4 108.1 53.5 92 92 A V E -aF 6 131A 16 39,-2.6 39,-1.0 -2,-0.7 2,-0.2 -0.741 23.8-179.5 -94.1 95.1 84.8 107.2 55.1 93 93 A A E -a 7 0A 0 -87,-1.8 -85,-3.0 -2,-1.1 2,-0.5 -0.608 22.4-134.7 -97.0 153.7 84.6 108.6 58.6 94 94 A L E > -a 8 0A 34 -2,-0.2 3,-1.7 -87,-0.2 -85,-0.2 -0.914 9.2-141.4-108.6 130.2 87.1 108.6 61.4 95 95 A G T 3 S+ 0 0 1 -87,-3.4 -61,-0.2 -2,-0.5 -86,-0.1 0.883 100.6 56.1 -55.2 -44.9 86.1 107.7 65.0 96 96 A D T 3 S+ 0 0 26 -88,-0.2 79,-2.5 1,-0.2 -1,-0.3 0.236 88.8 85.0 -76.4 16.4 88.4 110.3 66.6 97 97 A X < + 0 0 17 -3,-1.7 3,-0.5 77,-0.2 -1,-0.2 -0.661 41.4 148.3-118.9 78.2 86.8 113.1 64.5 98 98 A P + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 76,-0.1 0.225 59.2 73.8 -92.6 13.9 83.7 114.3 66.5 99 99 A F + 0 0 63 74,-0.4 71,-0.3 71,-0.4 72,-0.2 0.598 64.2 103.1-103.5 -12.5 83.9 117.9 65.4 100 100 A V S S- 0 0 3 -3,-0.5 2,-0.2 70,-0.4 -63,-0.1 -0.471 72.2-132.3 -64.5 142.3 82.8 117.5 61.9 101 101 A T > - 0 0 51 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.631 15.2-115.1-101.8 161.0 79.1 118.8 61.9 102 102 A K H > S+ 0 0 43 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.917 119.7 58.2 -55.4 -42.9 75.9 117.3 60.5 103 103 A E H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.886 102.7 52.0 -52.9 -44.5 75.9 120.3 58.3 104 104 A D H > S+ 0 0 4 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.905 110.9 47.5 -60.4 -42.9 79.3 119.4 56.9 105 105 A V H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.855 109.5 53.6 -67.5 -34.1 78.1 115.9 56.1 106 106 A N H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 111.4 45.7 -64.8 -46.7 74.9 117.3 54.5 107 107 A K H X S+ 0 0 43 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.942 112.0 51.1 -60.7 -50.6 77.1 119.5 52.2 108 108 A I H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.910 112.9 44.6 -54.5 -47.8 79.5 116.7 51.3 109 109 A I H >< S+ 0 0 38 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.856 112.3 53.6 -67.8 -33.3 76.7 114.3 50.4 110 110 A N H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.646 101.4 59.6 -75.8 -13.8 74.9 117.1 48.4 111 111 A T T << S+ 0 0 30 -4,-1.2 2,-0.5 -3,-0.6 -1,-0.2 0.571 79.2 111.7 -89.2 -9.5 78.1 117.8 46.4 112 112 A F < + 0 0 27 -3,-0.8 7,-0.0 -4,-0.5 -3,-0.0 -0.527 40.9 166.1 -73.5 115.1 78.2 114.3 45.0 113 113 A K > - 0 0 114 -2,-0.5 3,-1.4 1,-0.0 -2,-0.0 -0.813 51.3-102.5-123.2 164.8 77.5 114.1 41.2 114 114 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.756 121.4 57.6 -57.4 -26.2 77.9 111.4 38.6 115 115 A N T 3 S+ 0 0 77 2,-0.0 2,-0.3 47,-0.0 3,-0.1 0.764 88.6 96.6 -75.7 -25.2 81.0 113.2 37.3 116 116 A a < - 0 0 6 -3,-1.4 46,-0.2 1,-0.2 3,-0.2 -0.516 49.5-174.0 -74.5 126.3 82.6 113.0 40.7 117 117 A K S S- 0 0 65 44,-3.0 17,-1.7 1,-0.4 20,-0.4 0.776 82.5 -9.3 -82.3 -32.2 85.1 110.2 41.4 118 118 A A E -Gh 133 162A 0 43,-0.8 45,-1.3 15,-0.2 2,-0.4 -0.946 64.8-134.6-165.2 143.4 85.2 111.3 45.0 119 119 A V E -Gh 132 163A 0 13,-2.4 13,-2.2 -2,-0.3 45,-0.2 -0.891 23.0-165.9-104.1 135.7 83.9 114.3 47.0 120 120 A I E - h 0 164A 4 43,-2.8 45,-0.9 -2,-0.4 11,-0.1 -0.959 16.6-131.3-128.3 119.4 86.4 115.9 49.5 121 121 A P E - h 0 165A 0 0, 0.0 7,-2.1 0, 0.0 2,-0.3 -0.337 29.6-168.9 -64.4 149.2 85.5 118.3 52.2 122 122 A T E -Ih 127 166A 16 43,-3.1 45,-2.6 5,-0.3 2,-0.3 -0.958 16.4-176.2-138.1 154.8 87.7 121.4 52.4 123 123 A H E > S-I 126 0A 25 3,-2.6 3,-0.9 -2,-0.3 45,-0.1 -0.771 71.5 -21.2-158.9 109.0 88.3 124.2 54.7 124 124 A K T 3 S- 0 0 162 -2,-0.3 2,-0.8 1,-0.3 3,-0.1 0.959 126.8 -42.7 56.8 59.3 90.6 127.2 54.2 125 125 A G T 3 S+ 0 0 73 1,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.264 120.5 88.5 90.4 -48.9 92.8 125.7 51.5 126 126 A E E < S-I 123 0A 118 -3,-0.9 -3,-2.6 -2,-0.8 2,-0.3 -0.590 70.5-127.3 -91.0 148.4 93.3 122.2 52.9 127 127 A R E +I 122 0A 116 -5,-0.2 -5,-0.3 -2,-0.2 2,-0.1 -0.713 33.5 169.4 -92.4 141.0 91.1 119.1 52.5 128 128 A G - 0 0 5 -7,-2.1 44,-0.2 -2,-0.3 43,-0.1 -0.237 20.9 -20.8-124.8-146.8 89.8 117.2 55.5 129 129 A N S S+ 0 0 48 42,-2.6 44,-0.1 41,-0.1 2,-0.1 -0.910 86.4 44.2-132.7 163.3 87.4 114.4 56.4 130 130 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 0.410 68.2-161.5 -76.8 149.7 85.1 112.6 56.0 131 131 A V E -F 92 0A 10 -39,-1.0 -39,-2.6 -11,-0.1 2,-0.8 -0.829 11.3-139.7-101.0 133.5 85.8 111.8 52.4 132 132 A L E -FG 91 119A 1 -13,-2.2 -13,-2.4 -2,-0.4 2,-0.4 -0.821 21.2-167.9 -95.9 109.2 83.1 110.4 50.1 133 133 A I E -FG 90 118A 7 -43,-2.3 -43,-2.6 -2,-0.8 2,-0.2 -0.830 10.9-137.6-101.8 135.6 84.4 107.7 47.8 134 134 A S E >> -F 89 0A 8 -17,-1.7 3,-2.7 -2,-0.4 4,-0.6 -0.570 25.9-107.1 -94.2 152.8 82.5 106.4 44.8 135 135 A K H >> S+ 0 0 46 -47,-2.9 3,-1.0 1,-0.3 4,-0.6 0.750 116.4 69.9 -44.0 -29.7 82.0 102.8 43.5 136 136 A S H 34 S+ 0 0 66 -48,-0.3 3,-0.5 1,-0.3 4,-0.3 0.916 104.5 41.5 -57.5 -40.4 84.3 103.8 40.6 137 137 A L H <> S+ 0 0 11 -3,-2.7 4,-2.1 -20,-0.4 -1,-0.3 0.475 87.4 92.3 -84.8 -5.5 87.1 103.8 43.2 138 138 A F H > S+ 0 0 104 -4,-0.3 4,-0.8 1,-0.2 3,-0.6 0.920 107.3 51.5 -61.4 -48.1 91.3 100.9 43.9 141 141 A I H >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.879 103.9 58.7 -60.7 -36.0 90.7 100.8 47.6 142 142 A E H 3< S+ 0 0 53 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.876 100.7 57.7 -59.8 -35.5 90.7 96.9 47.5 143 143 A K H << S+ 0 0 67 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.743 84.8 110.8 -66.3 -25.3 94.2 97.1 46.0 144 144 A L << - 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0 0 0 -19,-2.7 3,-1.1 -2,-0.5 168,-0.1 -0.807 9.9-165.0 -94.7 115.7 40.7 122.8 56.1 762 67 F P T 3 S+ 0 0 12 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.711 89.5 61.1 -71.5 -14.1 38.1 120.6 54.5 763 68 F F T > + 0 0 77 1,-0.2 3,-1.8 2,-0.1 4,-0.4 -0.014 62.7 126.3-101.6 32.1 41.0 118.4 53.2 764 69 F W G X + 0 0 34 -3,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.781 67.6 61.7 -59.6 -28.9 42.4 117.5 56.6 765 70 F N G 3 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.668 95.5 63.4 -72.6 -14.9 42.2 113.8 55.7 766 71 F E G < S- 0 0 29 -3,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.632 109.7-100.4 -86.1 -13.6 44.7 114.4 52.9 767 72 F G X> - 0 0 10 -3,-0.9 3,-1.9 -4,-0.4 4,-0.8 -0.265 41.5 -55.9 115.6 157.6 47.7 115.5 55.0 768 73 F I H 3> S+ 0 0 29 1,-0.3 4,-2.0 2,-0.2 74,-0.2 0.654 116.1 70.5 -45.2 -26.5 49.7 118.4 56.2 769 74 F S H 3> S+ 0 0 0 72,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.892 95.7 52.5 -66.6 -35.0 50.4 119.8 52.7 770 75 F T H <> S+ 0 0 10 -3,-1.9 4,-2.2 71,-0.5 -1,-0.2 0.893 109.3 49.6 -65.1 -40.6 46.8 120.9 52.2 771 76 F S H X S+ 0 0 4 -4,-0.8 4,-2.1 2,-0.2 5,-0.3 0.909 113.1 47.0 -64.3 -41.7 46.9 122.8 55.5 772 77 F L H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.884 112.3 48.3 -68.6 -40.3 50.2 124.5 54.5 773 78 F K H X S+ 0 0 61 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 112.7 51.5 -65.8 -39.4 49.0 125.4 51.0 774 79 F L H X S+ 0 0 10 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.881 113.2 40.5 -64.7 -45.3 45.8 126.8 52.6 775 80 F G H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.804 113.1 57.7 -74.4 -28.6 47.5 129.0 55.2 776 81 F L H >< S+ 0 0 14 -4,-1.8 3,-1.2 -5,-0.3 -2,-0.2 0.852 98.3 59.5 -67.9 -33.1 50.0 129.9 52.5 777 82 F R H >< S+ 0 0 64 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.759 98.8 59.7 -66.4 -22.0 47.2 131.1 50.3 778 83 F F T << S+ 0 0 3 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.663 114.7 33.3 -80.6 -16.3 46.3 133.6 53.1 779 84 F F T X S+ 0 0 1 -3,-1.2 3,-0.6 -4,-0.5 -1,-0.2 -0.066 75.4 135.9-126.7 30.0 49.8 135.3 52.9 780 85 F K T < S+ 0 0 69 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.695 76.2 42.6 -53.8 -25.2 50.5 134.9 49.2 781 86 F D T 3 S+ 0 0 94 -3,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.728 91.8 103.8 -95.3 -25.1 51.8 138.5 48.8 782 87 F Y S < S- 0 0 47 -3,-0.6 -78,-0.2 1,-0.1 3,-0.1 0.098 79.7-115.4 -52.2 167.9 53.9 138.7 52.0 783 88 F D S S- 0 0 59 -80,-2.7 47,-2.5 1,-0.3 2,-0.3 0.895 87.1 -20.2 -74.4 -43.1 57.7 138.5 52.0 784 89 F A E -jN 704 829G 0 -81,-1.7 -79,-1.6 45,-0.3 2,-0.4 -0.983 57.3-133.8-162.1 160.1 57.8 135.3 53.9 785 90 F V E -jN 705 828G 3 43,-2.7 43,-2.8 -2,-0.3 2,-0.7 -0.937 13.3-138.6-122.5 145.7 55.8 133.0 56.3 786 91 F L E -jN 706 827G 0 -81,-2.7 -79,-2.2 -2,-0.4 2,-0.7 -0.919 19.4-148.4-103.9 111.3 56.9 131.4 59.5 787 92 F V E -jN 707 826G 13 39,-2.4 39,-0.8 -2,-0.7 2,-0.3 -0.737 22.4-177.6 -85.1 117.6 55.4 127.9 59.6 788 93 F A E -j 708 0G 0 -81,-3.1 -79,-3.0 -2,-0.7 2,-0.5 -0.860 21.1-134.1-117.0 151.1 54.7 126.9 63.2 789 94 F L E > -j 709 0G 25 -2,-0.3 3,-1.6 -81,-0.2 -79,-0.2 -0.881 7.6-144.2-106.3 132.1 53.4 123.7 64.7 790 95 F G T 3 S+ 0 0 0 -81,-3.0 -61,-0.2 -2,-0.5 -80,-0.1 0.574 98.7 61.4 -69.4 -6.5 50.7 123.8 67.3 791 96 F D T 3 S+ 0 0 10 -79,-0.3 79,-2.3 -82,-0.3 -1,-0.3 0.305 87.2 78.5-100.9 8.1 52.3 120.9 69.2 792 97 F X X + 0 0 0 -3,-1.6 3,-0.7 77,-0.2 -1,-0.2 -0.705 48.5 157.3-117.0 78.6 55.5 122.7 69.9 793 98 F P T 3 + 0 0 13 0, 0.0 -1,-0.1 0, 0.0 76,-0.1 0.288 60.2 71.4 -85.0 9.9 54.7 125.0 72.9 794 99 F F T 3 + 0 0 29 74,-0.4 71,-0.3 71,-0.3 72,-0.2 0.477 62.3 113.2-107.4 -0.5 58.3 125.4 74.1 795 100 F V < - 0 0 8 -3,-0.7 2,-0.3 70,-0.4 -63,-0.1 -0.300 63.8-130.7 -61.8 157.3 59.8 127.6 71.4 796 101 F T > - 0 0 43 1,-0.1 4,-2.1 67,-0.1 5,-0.1 -0.858 13.4-122.1-117.2 153.3 60.6 131.0 72.8 797 102 F K H > S+ 0 0 138 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.889 119.0 54.9 -54.8 -38.3 59.8 134.6 71.7 798 103 F E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.925 104.4 54.1 -61.2 -42.6 63.6 135.1 71.7 799 104 F D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 108.2 48.9 -56.5 -47.4 63.9 132.1 69.4 800 105 F V H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.953 108.4 52.0 -58.4 -54.3 61.4 133.6 66.9 801 106 F N H X S+ 0 0 96 -4,-2.3 4,-2.6 1,-0.3 5,-0.3 0.888 108.4 52.1 -50.2 -45.1 63.1 137.0 66.7 802 107 F K H X S+ 0 0 70 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.3 0.932 112.5 47.2 -57.7 -45.4 66.4 135.3 66.0 803 108 F I H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.969 116.5 38.9 -61.2 -59.8 64.7 133.4 63.2 804 109 F I H >< S+ 0 0 33 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.840 116.0 53.9 -63.5 -32.4 62.9 136.2 61.5 805 110 F N H 3< S+ 0 0 137 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.904 98.9 61.1 -68.8 -39.0 65.8 138.6 62.0 806 111 F T T 3< S+ 0 0 38 -4,-2.2 2,-0.8 -5,-0.3 -1,-0.2 0.642 78.4 116.7 -61.7 -10.5 68.2 136.1 60.4 807 112 F F < + 0 0 48 -3,-0.9 7,-0.0 -4,-0.4 -3,-0.0 -0.475 41.6 164.8 -66.8 104.3 66.1 136.7 57.3 808 113 F K > - 0 0 40 -2,-0.8 3,-0.7 1,-0.0 50,-0.1 -0.744 54.0-100.0-116.5 164.6 68.4 138.3 54.7 809 114 F P T 3 S+ 0 0 144 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.697 123.3 56.1 -57.8 -19.6 68.0 138.7 50.9 810 115 F N T 3 S+ 0 0 64 2,-0.0 2,-0.5 1,-0.0 -3,-0.1 0.868 88.3 90.8 -79.6 -37.3 70.3 135.7 50.5 811 116 F e < + 0 0 7 -3,-0.7 46,-0.2 -5,-0.2 3,-0.1 -0.444 43.7 177.7 -67.8 113.1 68.1 133.4 52.5 812 117 F K S S+ 0 0 89 44,-3.5 17,-1.5 -2,-0.5 20,-0.3 0.571 84.2 7.0 -84.7 -10.5 65.5 131.5 50.6 813 118 F A E -Op 828 857G 0 43,-0.6 45,-0.8 15,-0.2 2,-0.5 -0.929 65.7-142.4-168.7 143.4 64.7 130.0 53.9 814 119 F V E -Op 827 858G 0 13,-2.6 13,-2.4 -2,-0.3 45,-0.2 -0.959 20.1-166.6-115.1 118.0 65.7 130.3 57.6 815 120 F I E - p 0 859G 4 43,-2.8 45,-1.2 -2,-0.5 2,-0.2 -0.905 19.5-126.9-109.6 127.7 66.0 127.1 59.6 816 121 F P E - p 0 860G 0 0, 0.0 7,-3.8 0, 0.0 2,-0.4 -0.485 31.0-165.3 -70.5 137.7 66.2 127.1 63.4 817 122 F T E +Qp 822 861G 13 43,-2.1 45,-3.6 5,-0.2 2,-0.3 -0.963 21.1 177.1-131.1 145.6 69.2 125.2 64.8 818 123 F H E > S-Q 821 0G 19 3,-2.1 3,-1.0 -2,-0.4 45,-0.1 -0.814 80.3 -20.1-147.0 101.5 70.2 123.8 68.2 819 124 F K T 3 S- 0 0 109 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.973 128.6 -47.1 63.0 56.8 73.4 121.8 68.4 820 125 F G T 3 S+ 0 0 24 1,-0.2 2,-0.3 -719,-0.1 -1,-0.2 0.178 113.1 125.4 74.0 -19.7 73.6 121.0 64.7 821 126 F E E < -Q 818 0G 24 -3,-1.0 -3,-2.1 -719,-0.0 2,-0.6 -0.553 56.0-141.5 -76.9 131.1 70.0 120.0 64.8 822 127 F R E +Q 817 0G 15 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.821 35.9 159.8 -93.6 123.4 67.6 121.7 62.3 823 128 F G - 0 0 1 -7,-3.8 44,-0.2 -2,-0.6 43,-0.1 -0.165 21.5 -42.8-119.5-147.9 64.2 122.4 63.9 824 129 F N S S+ 0 0 30 42,-1.9 -36,-0.1 1,-0.1 2,-0.1 -0.907 84.5 58.6-136.8 162.5 61.1 124.5 63.7 825 130 F P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 0.342 69.9-161.5 -75.7 133.2 59.5 127.0 63.2 826 131 F V E -N 787 0G 7 -39,-0.8 -39,-2.4 -11,-0.1 2,-0.8 -0.711 11.0-139.7 -88.1 129.1 61.0 127.3 59.7 827 132 F L E -NO 786 814G 0 -13,-2.4 -13,-2.6 -2,-0.4 2,-0.4 -0.786 21.9-163.8 -91.8 107.2 60.8 130.8 58.0 828 133 F I E -NO 785 813G 7 -43,-2.8 -43,-2.7 -2,-0.8 -15,-0.2 -0.782 7.3-138.6 -99.2 135.2 59.9 130.3 54.3 829 134 F S E >> -N 784 0G 7 -17,-1.5 3,-1.2 -2,-0.4 4,-0.8 -0.458 27.8-103.2 -89.3 160.8 60.4 133.0 51.7 830 135 F K H >> S+ 0 0 45 -47,-2.5 3,-0.8 1,-0.3 4,-0.5 0.782 114.8 66.2 -48.6 -37.5 58.2 134.1 48.8 831 136 F S H >> S+ 0 0 66 1,-0.3 3,-0.7 -48,-0.2 4,-0.5 0.884 101.5 46.1 -56.4 -43.6 60.4 132.3 46.3 832 137 F L H <> S+ 0 0 10 -3,-1.2 4,-2.6 -20,-0.3 5,-0.3 0.652 88.1 92.3 -75.3 -15.1 59.6 128.8 47.7 833 138 F F H < S+ 0 0 39 -4,-0.5 3,-1.0 1,-0.2 -2,-0.2 0.884 108.4 48.6 -56.1 -45.2 57.5 125.1 45.2 836 141 F I H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.808 101.7 62.9 -69.0 -28.5 55.3 124.4 48.3 837 142 F E H 3< S+ 0 0 59 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.712 96.0 63.5 -68.5 -14.9 52.1 124.8 46.3 838 143 F K T << S+ 0 0 73 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.580 80.7 111.5 -83.8 -9.8 53.5 121.8 44.3 839 144 F L < - 0 0 18 -3,-1.6 2,-0.3 -4,-0.2 6,-0.1 -0.279 47.8-168.1 -65.3 150.6 53.3 119.6 47.4 840 145 F R > - 0 0 202 4,-0.1 3,-0.5 -70,-0.0 2,-0.1 -0.981 46.1 -5.7-139.4 147.3 50.8 116.8 47.6 841 146 F G T 3 S- 0 0 29 -2,-0.3 -72,-1.6 1,-0.2 -71,-0.5 -0.348 114.5 -29.8 74.7-147.4 49.6 114.6 50.4 842 147 F D T 3 S+ 0 0 117 -74,-0.2 -1,-0.2 -75,-0.2 -74,-0.2 -0.207 99.0 114.3-104.4 42.6 51.0 114.6 53.9 843 148 F V < - 0 0 65 -3,-0.5 3,-0.2 -76,-0.1 -1,-0.1 0.989 52.3-159.9 -78.7 -67.5 54.5 115.6 52.9 844 149 F G > - 0 0 10 -3,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.134 35.7 -67.2 102.9 160.6 55.4 119.1 54.2 845 150 F A T >> S+ 0 0 17 1,-0.3 3,-1.7 2,-0.2 4,-1.7 0.765 112.7 77.0 -58.3 -33.7 57.9 121.9 53.5 846 151 F R H 3> S+ 0 0 145 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.672 83.9 67.7 -56.9 -16.1 61.0 120.0 54.5 847 152 F V H <> S+ 0 0 71 -3,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.916 107.2 39.6 -67.1 -40.5 60.9 118.2 51.2 848 153 F I H X> S+ 0 0 18 -3,-1.7 4,-1.8 -4,-0.3 3,-0.7 0.855 104.2 65.0 -75.7 -40.0 61.6 121.5 49.5 849 154 F L H 3< S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 102.3 52.4 -53.2 -35.4 64.2 122.8 52.0 850 155 F N H 3< S+ 0 0 78 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.828 103.8 58.2 -69.3 -32.6 66.4 119.8 50.9 851 156 F K H << S+ 0 0 82 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.964 91.5 79.7 -62.3 -53.9 66.0 120.9 47.3 852 157 F I S < S- 0 0 29 -4,-1.8 2,-0.2 1,-0.1 5,-0.1 -0.145 88.0-106.2 -57.9 151.0 67.4 124.4 47.8 853 158 F K > - 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