==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-MAY-03 1PBJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR M.E.CUFF,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWES . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 18.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 2 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 3 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 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 2 A R >> 0 0 132 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 167.8 -9.1 24.1 5.2 2 3 A V H >> + 0 0 0 79,-2.9 4,-2.1 1,-0.3 3,-1.4 0.894 360.0 58.8 -50.5 -44.2 -6.5 24.3 7.9 3 4 A E H 34 S+ 0 0 74 76,-2.3 -1,-0.3 1,-0.3 77,-0.1 0.786 102.0 56.1 -61.0 -22.0 -4.4 26.7 6.0 4 5 A D H <4 S+ 0 0 126 -3,-1.7 -1,-0.3 75,-0.3 -2,-0.2 0.718 119.1 29.1 -78.9 -22.1 -7.3 29.1 5.9 5 6 A V H << S+ 0 0 22 -3,-1.4 106,-0.3 -4,-0.8 -2,-0.2 0.511 95.2 108.3-115.3 -12.0 -7.7 29.2 9.7 6 7 A X < - 0 0 42 -4,-2.1 2,-0.5 -5,-0.2 104,-0.2 -0.208 64.3-126.0 -70.2 159.9 -4.2 28.6 11.0 7 8 A V B -A 109 0A 60 102,-3.0 102,-2.3 1,-0.1 -1,-0.1 -0.923 21.5-178.9-106.0 125.5 -1.9 31.1 12.7 8 9 A T + 0 0 86 -2,-0.5 2,-1.9 100,-0.2 -1,-0.1 0.660 68.8 83.1 -96.3 -18.8 1.6 31.4 11.1 9 10 A D S S- 0 0 135 100,-0.1 2,-0.2 99,-0.0 -1,-0.1 -0.567 74.2-178.6 -83.2 76.8 2.8 34.0 13.6 10 11 A V - 0 0 19 -2,-1.9 2,-0.3 97,-0.1 24,-0.1 -0.544 29.2-126.1 -90.1 147.6 3.7 31.4 16.2 11 12 A D - 0 0 64 -2,-0.2 24,-3.0 22,-0.1 2,-0.3 -0.678 33.2-162.4 -83.1 137.7 5.1 31.9 19.7 12 13 A T E -d 35 0B 79 -2,-0.3 2,-0.3 22,-0.3 24,-0.2 -0.851 14.3-169.2-123.2 159.8 8.3 29.9 20.3 13 14 A I E -d 36 0B 17 22,-2.1 24,-2.6 -2,-0.3 2,-0.1 -0.991 31.9-104.0-144.9 142.7 10.3 28.7 23.3 14 15 A D E > -d 37 0B 69 -2,-0.3 3,-2.2 22,-0.2 52,-0.2 -0.406 27.8-119.5 -70.0 149.7 13.8 27.2 23.5 15 16 A I T 3 S+ 0 0 29 22,-2.2 52,-0.8 1,-0.3 -1,-0.1 0.700 111.8 60.5 -60.3 -20.8 14.1 23.5 24.1 16 17 A T T 3 S+ 0 0 93 50,-0.1 -1,-0.3 49,-0.1 -2,-0.1 0.483 83.2 108.9 -87.5 -2.2 16.1 24.1 27.3 17 18 A A < - 0 0 12 -3,-2.2 49,-2.9 48,-0.1 50,-0.3 -0.191 60.6-133.4 -69.3 166.5 13.2 26.0 28.9 18 19 A S B > -G 65 0C 5 47,-0.3 4,-1.7 48,-0.1 3,-0.4 -0.677 25.5-103.8-116.0 172.2 11.1 24.6 31.8 19 20 A L H > S+ 0 0 1 45,-2.2 4,-2.5 42,-1.1 43,-0.2 0.732 120.2 64.2 -67.1 -22.2 7.5 24.3 32.7 20 21 A E H > S+ 0 0 87 41,-1.2 4,-2.4 44,-0.3 -1,-0.2 0.903 103.2 48.4 -66.4 -37.1 8.0 27.2 35.1 21 22 A D H > S+ 0 0 46 -3,-0.4 4,-2.6 40,-0.2 -2,-0.2 0.913 110.6 50.1 -66.8 -41.7 8.7 29.3 32.0 22 23 A V H X S+ 0 0 3 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.920 111.7 48.8 -63.0 -41.7 5.6 28.0 30.2 23 24 A L H X S+ 0 0 59 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.932 111.7 48.8 -61.4 -46.3 3.5 28.8 33.3 24 25 A R H X>S+ 0 0 89 -4,-2.4 4,-3.2 1,-0.2 5,-0.5 0.915 107.5 54.7 -61.2 -43.9 5.0 32.3 33.5 25 26 A N H X5S+ 0 0 40 -4,-2.6 6,-1.8 1,-0.2 4,-1.4 0.847 112.1 45.7 -60.0 -34.8 4.3 33.0 29.8 26 27 A Y H X5S+ 0 0 121 -4,-1.6 4,-1.7 4,-0.3 -2,-0.2 0.953 116.6 41.7 -71.8 -50.5 0.7 32.1 30.4 27 28 A V H <5S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.896 126.2 32.7 -67.1 -39.3 0.2 34.1 33.6 28 29 A E H <5S+ 0 0 135 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.842 136.5 18.3 -87.2 -33.7 2.1 37.2 32.4 29 30 A N H < S- E 0 41B 80 3,-2.7 3,-1.7 -2,-0.4 -24,-0.0 -0.976 79.6 -27.0-122.3 111.7 16.1 23.5 19.0 39 40 A E T 3 S- 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.914 129.2 -44.0 47.9 53.2 18.9 25.4 17.3 40 41 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.448 116.2 111.9 76.7 0.9 16.4 27.3 15.1 41 42 A V E < -E 38 0B 86 -3,-1.7 -3,-2.7 64,-0.0 2,-0.4 -0.926 67.0-128.9-112.0 130.2 14.3 24.2 14.2 42 43 A R E +E 37 0B 82 -2,-0.5 64,-0.3 -5,-0.2 -5,-0.2 -0.631 35.7 166.0 -75.2 125.2 10.7 23.9 15.3 43 44 A V E - 0 0 40 -7,-3.0 2,-0.3 -2,-0.4 -6,-0.2 0.465 50.6 -32.3-123.8 -3.4 10.4 20.5 16.9 44 45 A G E -E 36 0B 0 -8,-0.9 -8,-2.4 28,-0.1 2,-0.3 -0.986 58.0 -91.3 172.1-172.8 7.2 20.2 18.9 45 46 A I E -EF 35 71B 6 26,-2.2 26,-2.1 -2,-0.3 2,-0.4 -0.971 21.8-166.6-130.7 144.1 4.6 22.0 21.1 46 47 A V E -E 34 0B 0 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.3 -0.983 18.5-174.9-128.5 143.4 4.3 22.5 24.9 47 48 A T E > -E 33 0B 20 -2,-0.4 4,-1.3 -14,-0.2 3,-0.5 -0.820 44.1-101.7-136.4 171.0 1.2 23.8 26.5 48 49 A T H > S+ 0 0 36 -16,-2.4 4,-2.4 -2,-0.3 5,-0.1 0.746 118.8 64.7 -64.8 -21.8 -0.6 24.9 29.7 49 50 A W H > S+ 0 0 154 -17,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 99.3 52.4 -67.1 -37.3 -2.1 21.4 29.8 50 51 A D H > S+ 0 0 5 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.893 108.7 50.9 -62.7 -37.0 1.4 20.0 30.2 51 52 A V H X S+ 0 0 6 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.944 109.1 49.9 -63.8 -46.2 1.8 22.5 33.2 52 53 A L H X S+ 0 0 88 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.904 108.6 53.2 -59.5 -40.7 -1.5 21.2 34.7 53 54 A E H X S+ 0 0 92 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.889 109.3 48.7 -61.5 -40.4 -0.3 17.6 34.4 54 55 A A H X>S+ 0 0 3 -4,-1.9 5,-2.6 2,-0.2 4,-0.8 0.904 110.5 50.5 -66.7 -39.9 2.9 18.5 36.2 55 56 A I H ><5S+ 0 0 97 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.925 108.3 53.1 -62.0 -43.0 1.0 20.2 39.0 56 57 A A H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.1 45.3 -61.5 -34.3 -1.3 17.2 39.3 57 58 A E H 3<5S- 0 0 151 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.559 113.0-119.8 -85.1 -8.6 1.8 15.0 39.7 58 59 A G T <<5 + 0 0 65 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.741 54.3 164.6 76.8 22.3 3.4 17.4 42.2 59 60 A D < - 0 0 76 -5,-2.6 2,-0.9 -6,-0.2 -1,-0.2 -0.319 47.9-111.0 -71.5 153.9 6.5 18.0 39.9 60 61 A D >> - 0 0 101 1,-0.2 3,-1.5 2,-0.0 4,-0.8 -0.795 28.3-150.1 -83.2 112.3 8.8 20.9 40.5 61 62 A L T 34 S+ 0 0 25 -2,-0.9 -41,-1.2 1,-0.3 -42,-1.1 0.806 92.5 58.5 -57.8 -30.8 8.0 23.0 37.4 62 63 A A T 34 S+ 0 0 22 1,-0.2 -1,-0.3 -43,-0.2 -41,-0.1 0.784 106.1 50.1 -69.8 -24.6 11.5 24.5 37.2 63 64 A E T <4 S+ 0 0 125 -3,-1.5 2,-0.8 -45,-0.1 -1,-0.2 0.613 90.5 85.1 -90.2 -13.2 13.0 21.0 36.9 64 65 A V S < S- 0 0 13 -4,-0.8 -45,-2.2 -3,-0.5 -44,-0.3 -0.799 71.1-152.3 -92.3 112.4 10.7 19.7 34.1 65 66 A K B >> -G 18 0C 65 -2,-0.8 3,-1.8 -47,-0.2 4,-0.5 -0.551 22.6-116.5 -83.1 151.2 12.2 20.8 30.8 66 67 A V H >> S+ 0 0 0 -49,-2.9 4,-1.8 1,-0.3 3,-1.1 0.812 111.9 62.4 -60.6 -28.0 10.0 21.3 27.8 67 68 A W H 34 S+ 0 0 150 -52,-0.8 -1,-0.3 -50,-0.3 -51,-0.1 0.747 95.5 62.5 -68.4 -19.7 11.6 18.5 25.8 68 69 A E H <4 S+ 0 0 99 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.732 120.3 20.8 -74.2 -21.6 10.4 16.0 28.5 69 70 A V H << S+ 0 0 39 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.435 91.9 119.5-127.5 -4.2 6.8 16.8 27.8 70 71 A X < - 0 0 40 -4,-1.8 2,-0.3 -5,-0.2 -24,-0.2 -0.173 45.9-149.5 -66.5 162.0 6.5 18.3 24.3 71 72 A E B +F 45 0B 74 -26,-2.1 -26,-2.2 1,-0.1 -1,-0.1 -0.945 31.3 145.6-131.6 151.2 4.5 16.7 21.6 72 73 A R > + 0 0 75 -2,-0.3 3,-1.1 -28,-0.2 4,-0.3 0.361 63.0 55.8-144.5 -63.0 4.7 16.5 17.9 73 74 A D G > S+ 0 0 131 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.847 111.5 40.6 -53.8 -44.7 3.6 13.3 16.0 74 75 A L G 3 S+ 0 0 106 1,-0.2 -1,-0.3 19,-0.0 19,-0.1 0.630 117.2 49.2 -82.5 -8.9 0.1 13.0 17.3 75 76 A V G < S+ 0 0 2 -3,-1.1 24,-2.7 23,-0.0 2,-0.4 0.140 85.7 105.2-114.5 18.8 -0.7 16.7 17.1 76 77 A T E < +b 99 0A 24 -3,-0.8 2,-0.3 -4,-0.3 24,-0.2 -0.863 41.7 176.0-106.0 140.1 0.5 17.5 13.6 77 78 A I E -b 100 0A 15 22,-2.6 24,-2.3 -2,-0.4 -2,-0.0 -0.933 30.6-108.6-138.3 154.7 -1.8 18.1 10.7 78 79 A S > - 0 0 51 -2,-0.3 3,-1.3 22,-0.2 -76,-0.2 -0.535 22.6-126.9 -83.3 149.3 -1.5 19.1 7.0 79 80 A P T 3 S+ 0 0 2 0, 0.0 -76,-2.3 0, 0.0 -75,-0.3 0.706 110.3 65.6 -67.1 -14.9 -2.6 22.6 5.9 80 81 A R T 3 S+ 0 0 111 -78,-0.2 -2,-0.0 -79,-0.1 0, 0.0 0.639 78.0 106.1 -79.7 -17.2 -4.7 20.6 3.3 81 82 A A S < S- 0 0 12 -3,-1.3 -79,-2.9 -80,-0.1 -78,-0.2 -0.253 76.5-112.7 -62.8 149.9 -6.9 19.0 5.9 82 83 A T > - 0 0 49 -81,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.410 25.9-111.3 -77.9 162.7 -10.5 20.3 6.2 83 84 A I H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 121.2 53.8 -59.9 -38.7 -11.5 22.2 9.3 84 85 A K H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 107.2 50.9 -63.2 -41.6 -13.7 19.2 10.3 85 86 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 109.4 50.7 -63.6 -37.6 -10.7 16.9 9.9 86 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.924 110.8 48.8 -64.7 -44.2 -8.7 19.2 12.2 87 88 A A H X S+ 0 0 34 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 109.7 53.1 -61.6 -41.0 -11.6 19.1 14.8 88 89 A E H X S+ 0 0 100 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.915 109.8 47.0 -61.5 -41.2 -11.7 15.3 14.5 89 90 A K H X S+ 0 0 63 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.893 111.7 51.0 -68.2 -40.8 -7.9 15.1 15.2 90 91 A X H X>S+ 0 0 10 -4,-2.5 5,-2.0 2,-0.2 4,-0.6 0.929 113.7 45.1 -58.7 -44.2 -8.2 17.5 18.2 91 92 A V H ><5S+ 0 0 113 -4,-2.6 3,-0.6 3,-0.2 -2,-0.2 0.929 112.3 50.2 -67.7 -43.9 -11.1 15.4 19.6 92 93 A K H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 122.0 33.9 -61.3 -38.9 -9.3 12.0 19.0 93 94 A N H 3<5S- 0 0 41 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.359 104.8-128.2 -98.3 3.6 -6.2 13.3 20.7 94 95 A V T <<5 + 0 0 125 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.921 61.4 134.9 46.4 53.9 -7.9 15.5 23.2 95 96 A V < - 0 0 37 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.961 54.5-147.5-128.1 152.7 -5.8 18.5 22.4 96 97 A W S S+ 0 0 126 -2,-0.3 16,-2.7 1,-0.1 2,-0.3 0.645 82.9 41.8 -90.1 -16.5 -6.8 22.1 21.8 97 98 A R E - C 0 111A 50 14,-0.2 2,-0.4 15,-0.1 14,-0.2 -0.974 60.2-160.9-138.2 147.9 -4.1 22.8 19.3 98 99 A L E - C 0 110A 0 12,-2.7 12,-2.6 -2,-0.3 2,-0.4 -0.965 22.3-126.6-126.2 142.1 -2.4 21.2 16.4 99 100 A L E -bC 76 109A 0 -24,-2.7 -22,-2.6 -2,-0.4 2,-0.6 -0.703 25.6-138.4 -80.4 136.5 1.0 21.9 14.7 100 101 A V E -bC 77 108A 0 8,-3.1 7,-2.8 -2,-0.4 8,-1.1 -0.889 22.2-167.6-101.8 124.5 0.5 22.5 11.0 101 102 A E E + C 0 106A 60 -24,-2.3 2,-0.3 -2,-0.6 5,-0.2 -0.936 14.3 168.6-117.3 136.7 3.3 20.8 9.0 102 103 A E E > S+ C 0 105A 78 3,-2.5 3,-1.9 -2,-0.4 -2,-0.0 -0.992 73.6 4.1-144.1 136.2 4.2 21.3 5.3 103 104 A D T 3 S- 0 0 133 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.902 131.3 -60.5 54.2 42.4 7.3 20.1 3.5 104 105 A D T 3 S+ 0 0 132 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.420 117.5 102.7 68.3 1.9 8.4 18.3 6.7 105 106 A E E < S- C 0 102A 133 -3,-1.9 -3,-2.5 -64,-0.0 2,-0.6 -0.862 78.6-109.6-118.9 151.1 8.5 21.6 8.7 106 107 A I E + C 0 101A 8 -64,-0.3 -5,-0.3 -2,-0.3 -64,-0.1 -0.670 38.0 170.6 -78.1 117.8 6.1 23.2 11.2 107 108 A I E - 0 0 42 -7,-2.8 2,-0.3 -2,-0.6 -6,-0.2 0.472 57.3 -30.5-107.9 -5.0 4.6 26.3 9.5 108 109 A G E - C 0 100A 0 -8,-1.1 -8,-3.1 -99,-0.1 2,-0.4 -0.986 56.1-103.3 175.8-173.3 1.9 27.3 12.0 109 110 A V E -AC 7 99A 17 -102,-2.3 -102,-3.0 -2,-0.3 2,-0.4 -0.991 18.2-157.2-138.0 140.8 -0.6 26.2 14.6 110 111 A I E - C 0 98A 0 -12,-2.6 -12,-2.7 -2,-0.4 2,-0.3 -0.983 14.3-163.0-120.6 135.8 -4.3 25.8 14.5 111 112 A S E >> - C 0 97A 16 -2,-0.4 4,-1.8 -106,-0.3 3,-0.9 -0.867 33.6-118.1-118.6 152.5 -6.4 26.0 17.6 112 113 A A H 3> S+ 0 0 12 -16,-2.7 4,-3.0 -2,-0.3 5,-0.2 0.833 116.7 62.0 -54.3 -32.3 -10.0 25.0 18.5 113 114 A T H 3> S+ 0 0 63 -17,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.916 103.3 48.6 -58.3 -43.6 -10.6 28.7 19.2 114 115 A D H <> S+ 0 0 30 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.891 112.4 48.2 -62.4 -43.1 -9.8 29.4 15.5 115 116 A I H X S+ 0 0 16 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 111.2 49.4 -67.1 -44.0 -12.1 26.7 14.3 116 117 A L H X S+ 0 0 111 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.920 111.3 49.3 -63.7 -41.5 -15.0 27.8 16.6 117 118 A R H < S+ 0 0 188 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.0 50.2 -63.7 -40.1 -14.7 31.4 15.4 118 119 A A H < S+ 0 0 70 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.856 109.8 50.6 -66.6 -34.0 -14.7 30.3 11.7 119 120 A K H < 0 0 181 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 360.0 360.0 -69.1 -40.7 -17.8 28.1 12.3 120 121 A X < 0 0 203 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.897 360.0 360.0 -68.8 360.0 -19.6 31.1 13.9