==== 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 20-AUG-04 1X9A . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0979; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR J.A.GASPAR,C.LIU,K.A.VASSALL,P.B.STATHOPULOS,G.MEGLEI, . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 178 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -47.7 -9.1 -14.2 1.2 2 2 A A - 0 0 47 21,-0.0 25,-2.0 1,-0.0 2,-0.7 -0.615 360.0-138.6 -87.2 138.0 -10.1 -11.7 -1.4 3 3 A L E -a 27 0A 40 -2,-0.3 2,-0.6 23,-0.2 25,-0.2 -0.859 22.1-168.8 -94.7 110.3 -8.4 -8.4 -1.8 4 4 A V E -a 28 0A 13 23,-2.7 25,-2.6 -2,-0.7 2,-0.4 -0.896 4.9-176.5-109.0 115.5 -11.0 -5.8 -2.5 5 5 A L E -a 29 0A 0 -2,-0.6 2,-0.5 23,-0.2 25,-0.2 -0.894 7.9-169.3-110.2 136.3 -9.8 -2.3 -3.6 6 6 A V E +a 30 0A 0 23,-2.2 25,-2.3 -2,-0.4 28,-0.2 -0.969 27.2 139.6-124.7 117.0 -12.0 0.7 -4.3 7 7 A K + 0 0 45 -2,-0.5 3,-0.1 23,-0.2 25,-0.1 -0.336 44.9 88.1-151.6 63.0 -10.4 3.8 -6.0 8 8 A Y S >> S- 0 0 133 1,-0.5 3,-1.1 4,-0.1 4,-0.7 -0.062 82.4-124.9-148.7 39.8 -12.9 5.2 -8.5 9 9 A G T 34 - 0 0 7 22,-0.3 -1,-0.5 1,-0.2 3,-0.2 -0.184 60.5 -51.9 48.9-138.9 -14.9 7.6 -6.4 10 10 A T T 34 S+ 0 0 89 1,-0.1 -1,-0.2 -3,-0.1 6,-0.1 0.229 121.1 90.6-110.9 9.7 -18.6 7.0 -6.5 11 11 A D T <4 S+ 0 0 142 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.1 0.573 73.5 77.6 -80.3 -9.9 -18.6 7.1 -10.3 12 12 A H >< - 0 0 50 -4,-0.7 3,-1.2 -3,-0.2 4,-0.4 -0.874 61.6-170.2-107.4 104.7 -18.0 3.3 -10.3 13 13 A P T >> S+ 0 0 105 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.792 82.1 66.2 -63.7 -28.9 -21.2 1.4 -9.6 14 14 A V H 3> S+ 0 0 36 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.703 84.9 73.6 -70.3 -17.6 -19.4 -1.9 -9.2 15 15 A E H <> S+ 0 0 2 -3,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.895 91.0 58.3 -62.2 -38.3 -17.6 -0.6 -6.0 16 16 A K H <> S+ 0 0 85 -3,-0.9 4,-2.9 -4,-0.4 3,-0.4 0.950 109.2 39.4 -57.8 -56.8 -20.9 -0.9 -4.0 17 17 A L H X S+ 0 0 69 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.711 107.2 64.8 -74.9 -18.4 -21.5 -4.6 -4.5 18 18 A K H < S+ 0 0 20 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.912 115.0 32.5 -63.6 -41.8 -17.8 -5.5 -4.2 19 19 A I H >< S+ 0 0 4 -4,-1.6 3,-1.1 -3,-0.4 27,-0.3 0.895 120.2 53.7 -74.5 -43.7 -18.1 -4.2 -0.6 20 20 A R H 3< S+ 0 0 185 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.873 114.8 36.5 -63.7 -44.1 -21.7 -5.4 -0.3 21 21 A S T 3< S+ 0 0 88 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 0.174 89.8 127.1-101.1 18.6 -21.2 -9.0 -1.3 22 22 A A < - 0 0 13 -3,-1.1 2,-0.2 1,-0.1 -3,-0.1 -0.290 60.6-112.3 -71.3 158.9 -17.8 -9.4 0.4 23 23 A K > - 0 0 140 1,-0.1 3,-1.8 22,-0.1 -1,-0.1 -0.589 19.9-116.2 -91.7 157.8 -17.1 -12.2 2.8 24 24 A A T 3 S+ 0 0 57 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.407 116.3 57.9 -71.4 5.0 -16.5 -11.8 6.5 25 25 A E T 3 S+ 0 0 133 21,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.282 93.8 87.7-114.5 5.8 -13.0 -13.2 5.8 26 26 A D < - 0 0 13 -3,-1.8 21,-2.5 -25,-0.1 2,-0.4 -0.444 68.4-123.1-107.8 176.4 -11.9 -10.6 3.3 27 27 A K E -ab 3 47A 77 -25,-2.0 -23,-2.7 19,-0.2 2,-0.4 -0.972 17.9-168.9-124.6 134.7 -10.3 -7.2 3.2 28 28 A I E -ab 4 48A 0 19,-3.2 21,-2.8 -2,-0.4 2,-0.5 -0.985 4.6-168.0-127.4 125.1 -11.6 -4.0 1.7 29 29 A V E -ab 5 49A 3 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.6 -0.944 10.4-153.7-118.6 130.0 -9.6 -0.8 1.2 30 30 A L E +ab 6 50A 0 19,-2.8 21,-2.1 -2,-0.5 2,-0.3 -0.896 25.6 171.5 -99.8 121.4 -10.8 2.7 0.4 31 31 A I > - 0 0 0 -25,-2.3 3,-2.0 -2,-0.6 -22,-0.3 -0.976 46.7 -20.1-136.1 142.3 -8.2 4.8 -1.4 32 32 A Q G > S- 0 0 52 -2,-0.3 3,-1.5 1,-0.3 26,-0.1 -0.415 136.2 -3.0 67.3-125.8 -8.2 8.2 -3.2 33 33 A N G > S+ 0 0 84 1,-0.3 3,-1.5 -2,-0.2 -1,-0.3 0.573 121.3 83.3 -74.3 -5.8 -11.7 9.2 -4.2 34 34 A G G X + 0 0 0 -3,-2.0 3,-1.9 1,-0.3 4,-0.4 0.683 67.9 82.5 -68.2 -16.2 -12.8 5.9 -2.8 35 35 A V G X S+ 0 0 1 -3,-1.5 3,-1.1 1,-0.3 4,-0.3 0.672 71.6 77.8 -62.7 -16.9 -12.8 7.5 0.6 36 36 A F G X S+ 0 0 66 -3,-1.5 3,-0.8 1,-0.3 4,-0.4 0.763 87.5 58.7 -64.2 -23.4 -16.3 8.8 -0.3 37 37 A W G X S+ 0 0 9 -3,-1.9 3,-0.5 1,-0.2 5,-0.5 0.728 93.7 66.2 -76.2 -20.5 -17.5 5.3 0.6 38 38 A A G < S+ 0 0 0 -3,-1.1 28,-2.6 -4,-0.4 29,-0.9 0.588 100.0 51.6 -75.5 -10.6 -16.1 5.7 4.1 39 39 A L G < S+ 0 0 63 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.620 100.3 73.4-100.4 -17.1 -18.7 8.4 4.7 40 40 A E S < S- 0 0 50 -3,-0.5 26,-0.1 -4,-0.4 -3,-0.1 0.065 97.6 -87.0 -91.7-160.4 -21.8 6.6 3.7 41 41 A E + 0 0 139 2,-0.1 -3,-0.1 25,-0.0 -1,-0.1 -0.054 61.2 160.5-105.2 29.5 -23.9 3.8 5.2 42 42 A L - 0 0 18 -5,-0.5 2,-0.5 1,-0.1 -26,-0.0 -0.260 22.1-162.2 -55.4 131.7 -21.9 0.9 3.7 43 43 A E + 0 0 166 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.949 21.5 154.0-124.3 110.4 -22.5 -2.4 5.5 44 44 A T - 0 0 31 -2,-0.5 4,-0.2 2,-0.2 -24,-0.1 -0.983 42.3-146.5-136.6 145.2 -20.0 -5.1 5.0 45 45 A P S S+ 0 0 76 0, 0.0 -22,-0.1 0, 0.0 2,-0.1 0.485 78.8 90.5 -84.0 -5.2 -18.8 -8.2 7.1 46 46 A A S S- 0 0 8 -27,-0.3 2,-1.1 -21,-0.1 -19,-0.2 -0.311 97.9 -85.6 -84.2 171.6 -15.3 -7.8 5.7 47 47 A K E -b 27 0A 128 -21,-2.5 -19,-3.2 -2,-0.1 2,-0.5 -0.703 51.1-167.6 -80.9 102.6 -12.5 -5.7 7.2 48 48 A V E +b 28 0A 21 -2,-1.1 2,-0.4 -21,-0.2 -19,-0.2 -0.822 11.4 171.0 -98.8 123.6 -13.1 -2.3 5.7 49 49 A Y E -b 29 0A 72 -21,-2.8 -19,-2.8 -2,-0.5 2,-0.4 -0.995 19.5-156.5-133.8 138.7 -10.4 0.3 6.1 50 50 A A E -bc 30 69A 0 18,-2.4 20,-2.2 -2,-0.4 2,-0.5 -0.920 35.3-104.5-111.5 141.6 -10.0 3.8 4.6 51 51 A I E > - c 0 70A 3 -21,-2.1 4,-2.6 -2,-0.4 20,-0.2 -0.514 27.4-160.5 -71.0 117.9 -6.5 5.3 4.3 52 52 A K H > S+ 0 0 54 18,-3.5 4,-3.1 -2,-0.5 5,-0.3 0.943 88.2 49.0 -64.9 -52.2 -6.1 8.0 7.0 53 53 A D H > S+ 0 0 54 17,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.911 118.6 41.1 -55.2 -44.6 -3.2 9.9 5.4 54 54 A D H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.855 113.9 52.8 -72.8 -35.6 -5.1 10.1 2.1 55 55 A F H ><>S+ 0 0 0 -4,-2.6 5,-1.0 1,-0.2 3,-0.8 0.917 111.0 45.7 -68.2 -43.8 -8.5 10.7 3.7 56 56 A L H ><5S+ 0 0 61 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.805 105.1 63.8 -67.8 -28.8 -7.1 13.7 5.7 57 57 A A H 3<5S+ 0 0 60 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.735 90.3 66.4 -67.4 -23.5 -5.4 14.8 2.5 58 58 A R T <<5S- 0 0 85 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.650 124.2-102.8 -70.8 -14.9 -8.9 15.3 1.0 59 59 A G T < 5S+ 0 0 67 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.577 84.0 122.1 100.6 13.7 -9.4 18.1 3.5 60 60 A Y < - 0 0 82 -5,-1.0 -1,-0.3 1,-0.0 2,-0.3 -0.537 57.4-119.4-102.6 170.8 -11.6 16.0 5.8 61 61 A S >> - 0 0 66 -2,-0.2 3,-1.3 1,-0.1 4,-0.7 -0.744 23.5-114.2-108.9 159.2 -11.2 15.2 9.5 62 62 A E G >4 S+ 0 0 107 1,-0.3 3,-0.8 -2,-0.3 -1,-0.1 0.853 118.2 60.2 -56.4 -36.1 -10.9 11.8 11.2 63 63 A E G 34 S+ 0 0 186 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.762 93.6 65.6 -63.3 -28.0 -14.3 12.5 12.8 64 64 A D G <4 S+ 0 0 83 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.843 87.1 85.5 -64.3 -34.2 -15.9 12.7 9.3 65 65 A S << - 0 0 15 -3,-0.8 -26,-0.2 -4,-0.7 4,-0.1 -0.385 57.5-164.4 -75.7 145.3 -15.3 9.1 8.6 66 66 A K S S+ 0 0 103 -28,-2.6 -27,-0.2 -2,-0.1 -1,-0.1 0.743 75.2 58.0 -92.9 -31.2 -17.7 6.4 9.7 67 67 A V S S- 0 0 14 -29,-0.9 -18,-0.1 1,-0.1 2,-0.1 -0.490 100.4 -79.6 -98.5 166.3 -15.2 3.5 9.1 68 68 A P - 0 0 72 0, 0.0 -18,-2.4 0, 0.0 2,-0.4 -0.358 41.3-142.0 -64.6 142.6 -11.7 2.9 10.6 69 69 A L E -c 50 0A 33 -20,-0.2 2,-0.3 -4,-0.1 -18,-0.2 -0.879 11.9-159.4-107.0 138.7 -8.7 4.8 9.2 70 70 A I E -c 51 0A 9 -20,-2.2 -18,-3.5 -2,-0.4 -17,-0.6 -0.891 9.7-135.8-116.2 153.2 -5.3 3.3 8.7 71 71 A T > - 0 0 30 -2,-0.3 4,-2.5 -19,-0.2 3,-0.3 -0.507 37.1 -93.5 -99.6 166.8 -2.0 5.0 8.4 72 72 A Y H > S+ 0 0 78 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.870 129.7 50.3 -45.9 -40.8 0.9 4.3 5.9 73 73 A S H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.919 111.8 46.2 -64.6 -42.9 2.4 2.1 8.6 74 74 A E H > S+ 0 0 89 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.778 106.5 59.3 -74.0 -28.0 -0.9 0.3 9.2 75 75 A F H X S+ 0 0 7 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.923 105.7 48.2 -66.1 -44.8 -1.4 -0.2 5.5 76 76 A I H X S+ 0 0 6 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.930 112.6 49.3 -58.2 -43.7 1.8 -2.1 5.3 77 77 A D H X S+ 0 0 38 -4,-1.7 4,-3.6 1,-0.2 -2,-0.2 0.826 104.4 59.7 -66.8 -32.9 0.8 -4.2 8.3 78 78 A L H < S+ 0 0 22 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.927 106.1 47.1 -55.1 -47.2 -2.6 -4.8 6.6 79 79 A L H < S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.746 112.8 50.2 -73.3 -24.4 -0.9 -6.5 3.7 80 80 A E H < S- 0 0 36 -4,-1.2 2,-0.3 -5,-0.2 -2,-0.2 0.963 99.7-149.2 -70.2 -57.6 1.2 -8.4 6.2 81 81 A G < - 0 0 38 -4,-3.6 -1,-0.1 1,-0.1 -4,-0.1 -0.602 41.8 -68.2 127.1 -71.3 -1.9 -9.5 8.1 82 82 A E S S+ 0 0 172 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.104 120.8 68.5 171.7 -33.9 -1.1 -10.0 11.8 83 83 A E S S- 0 0 174 -3,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.724 76.6-160.4 -87.4 -23.6 1.2 -13.0 12.0 84 84 A K - 0 0 91 1,-0.2 2,-0.7 -7,-0.2 3,-0.2 0.912 15.7-175.7 34.1 91.5 4.2 -11.3 10.4 85 85 A F + 0 0 195 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.0 -0.688 48.7 114.5-102.1 70.5 6.5 -14.0 9.2 86 86 A I 0 0 39 -2,-0.7 -1,-0.2 6,-0.1 -2,-0.1 0.189 360.0 360.0-123.4 10.3 9.2 -11.6 8.0 87 87 A G 0 0 100 -3,-0.2 -2,-0.0 16,-0.0 -3,-0.0 -0.326 360.0 360.0 -67.4 360.0 11.9 -12.5 10.5 88 !* 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 89 201 B M 0 0 165 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 42.5 5.4 -14.5 -5.5 90 202 B A - 0 0 52 21,-0.1 25,-2.4 2,-0.0 2,-0.7 -0.667 360.0-125.3 -98.4 150.0 6.1 -13.6 -1.8 91 203 B L E -d 115 0B 63 -2,-0.3 2,-0.6 23,-0.2 25,-0.2 -0.851 23.9-165.9 -94.0 117.2 5.3 -10.3 -0.2 92 204 B V E -d 116 0B 22 23,-3.2 25,-2.5 -2,-0.7 2,-0.6 -0.915 3.2-171.3-107.9 115.8 8.4 -8.8 1.4 93 205 B L E -d 117 0B 2 -2,-0.6 2,-0.7 23,-0.2 25,-0.1 -0.917 1.7-168.3-108.7 113.4 7.7 -5.9 3.8 94 206 B V E +d 118 0B 2 23,-2.7 25,-2.8 -2,-0.6 28,-0.2 -0.901 24.6 153.8-106.4 116.6 10.7 -4.1 5.1 95 207 B K + 0 0 41 -2,-0.7 2,-0.3 23,-0.2 25,-0.1 -0.456 55.6 83.6-131.7 59.9 10.2 -1.7 8.0 96 208 B Y - 0 0 97 23,-0.2 2,-0.3 24,-0.1 29,-0.2 -0.970 51.4-174.9-158.9 146.5 13.8 -1.9 9.2 97 209 B G - 0 0 1 -2,-0.3 2,-3.4 27,-0.1 25,-0.1 -0.851 62.3 -34.3-161.6 123.0 16.9 -0.1 8.3 98 210 B T S S+ 0 0 93 2,-0.5 24,-0.0 -2,-0.3 4,-0.0 -0.196 127.3 68.5 64.2 -49.1 20.6 -0.3 9.3 99 211 B D S S+ 0 0 138 -2,-3.4 -1,-0.3 1,-0.3 -3,-0.0 0.767 113.9 33.7 -63.1 -25.4 19.6 -1.2 12.9 100 212 B H S S+ 0 0 70 1,-0.1 -2,-0.5 2,-0.0 -1,-0.3 -0.955 70.7 170.6-132.3 109.2 18.4 -4.4 11.2 101 213 B P > + 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.429 57.8 87.6 -99.9 -0.9 20.6 -5.4 8.2 102 214 B V T >> S+ 0 0 44 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.727 74.8 71.8 -76.3 -19.0 19.2 -8.9 7.5 103 215 B E H 3> S+ 0 0 4 1,-0.2 4,-2.7 -3,-0.2 -1,-0.3 0.760 84.9 69.5 -66.9 -22.2 16.6 -7.5 5.1 104 216 B K H <> S+ 0 0 52 -3,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.907 104.3 39.2 -65.4 -40.7 19.3 -6.7 2.6 105 217 B L H <> S+ 0 0 85 -3,-0.6 4,-2.1 -4,-0.4 -1,-0.2 0.675 110.5 60.4 -84.3 -15.3 19.9 -10.4 1.9 106 218 B K H X S+ 0 0 45 -4,-1.1 4,-0.5 2,-0.2 -2,-0.2 0.925 107.3 46.1 -65.3 -45.8 16.1 -10.9 2.1 107 219 B I H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 27,-0.4 0.869 112.4 51.8 -61.1 -38.2 16.0 -8.4 -0.8 108 220 B R H 3< S+ 0 0 122 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 111.3 45.3 -64.4 -42.1 18.8 -10.4 -2.4 109 221 B S H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 23,-0.1 -2,-0.2 0.455 88.7 116.8 -86.2 -0.8 17.0 -13.7 -2.1 110 222 B A << - 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