==== 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 28-JUN-04 1WLO . COMPND 2 MOLECULE: SUFE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS IN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.1 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 0.7 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 . 1 0.7 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 . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 164 0, 0.0 96,-0.2 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 163.4 11.4 -5.8 7.3 2 2 A V - 0 0 28 94,-0.3 92,-0.1 1,-0.1 91,-0.0 -0.139 360.0-116.1 -48.4 140.8 9.8 -3.4 4.8 3 3 A P > - 0 0 8 0, 0.0 4,-2.7 0, 0.0 5,-0.1 -0.146 16.0-114.7 -75.0 174.6 9.7 -4.9 1.3 4 4 A P H > S+ 0 0 93 0, 0.0 4,-4.5 0, 0.0 5,-0.4 0.951 110.6 63.8 -75.0 -53.4 11.5 -3.5 -1.8 5 5 A K H > S+ 0 0 105 1,-0.2 4,-1.0 2,-0.2 81,-0.1 0.819 118.7 31.7 -38.3 -38.4 8.4 -2.6 -3.8 6 6 A L H >> S+ 0 0 0 79,-0.4 4,-2.8 2,-0.2 3,-0.6 0.946 114.7 54.8 -84.7 -61.7 7.9 -0.2 -0.9 7 7 A K H 3X S+ 0 0 82 -4,-2.7 4,-3.2 1,-0.3 5,-0.2 0.803 110.2 53.8 -41.1 -33.8 11.4 0.6 0.1 8 8 A Q H 3X S+ 0 0 125 -4,-4.5 4,-3.4 2,-0.2 -1,-0.3 0.940 108.3 45.8 -68.1 -49.6 11.8 1.6 -3.5 9 9 A A H > - 0 0 52 0, 0.0 4,-3.8 0, 0.0 3,-1.0 -0.539 30.4-121.9 -75.0 134.1 12.4 16.4 -5.5 18 18 A K H 3> S+ 0 0 144 1,-0.3 4,-2.2 -2,-0.3 5,-0.2 0.889 114.5 53.5 -34.8 -68.7 9.9 17.7 -3.0 19 19 A E H 3> S+ 0 0 144 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.841 117.2 39.4 -35.4 -48.4 8.0 19.5 -5.7 20 20 A L H <> S+ 0 0 69 -3,-1.0 4,-2.8 1,-0.2 3,-0.4 0.938 104.6 66.1 -69.6 -49.0 7.9 16.2 -7.5 21 21 A R H X S+ 0 0 41 -4,-3.8 4,-2.8 1,-0.3 -2,-0.2 0.824 101.5 52.7 -40.0 -39.5 7.3 14.2 -4.4 22 22 A S H X S+ 0 0 55 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.3 0.952 109.9 44.6 -63.4 -52.1 4.0 16.1 -4.3 23 23 A Q H X S+ 0 0 116 -4,-1.1 4,-2.6 -3,-0.4 -2,-0.2 0.782 113.0 55.3 -62.6 -27.8 3.0 15.1 -7.8 24 24 A V H X S+ 0 0 21 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.963 103.3 50.9 -69.0 -54.3 4.2 11.6 -7.0 25 25 A L H X S+ 0 0 4 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.828 112.9 50.9 -51.8 -33.7 1.9 11.2 -4.0 26 26 A L H >X S+ 0 0 85 -4,-1.6 4,-1.8 2,-0.2 3,-0.6 0.986 106.0 50.7 -67.7 -61.1 -0.8 12.3 -6.3 27 27 A E H >X S+ 0 0 108 -4,-2.6 4,-1.3 1,-0.3 3,-0.5 0.889 104.8 60.5 -41.7 -51.9 -0.1 9.9 -9.1 28 28 A Y H >< S+ 0 0 25 -4,-2.6 3,-1.9 1,-0.3 -1,-0.3 0.907 103.6 48.2 -42.2 -57.7 -0.1 7.1 -6.5 29 29 A A H X< S+ 0 0 10 -4,-1.4 3,-1.1 -3,-0.6 -1,-0.3 0.861 107.3 57.3 -52.9 -38.2 -3.7 7.8 -5.7 30 30 A A H << S+ 0 0 85 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.751 101.6 57.8 -64.5 -23.9 -4.4 7.8 -9.4 31 31 A K T << S+ 0 0 112 -3,-1.9 -1,-0.3 -4,-1.3 -2,-0.2 -0.239 82.2 107.0-100.0 42.0 -3.0 4.3 -9.3 32 32 A V < - 0 0 15 -3,-1.1 48,-0.1 -5,-0.1 -1,-0.1 -0.876 54.9-161.3-125.9 97.1 -5.5 3.2 -6.8 33 33 A P - 0 0 76 0, 0.0 33,-0.4 0, 0.0 -2,-0.1 -0.344 26.9 -98.6 -75.0 157.5 -8.2 0.9 -8.3 34 34 A P - 0 0 117 0, 0.0 33,-0.1 0, 0.0 0, 0.0 -0.357 40.8-103.1 -75.1 156.1 -11.6 0.3 -6.6 35 35 A P - 0 0 32 0, 0.0 30,-0.1 0, 0.0 3,-0.0 -0.261 41.9 -91.2 -74.9 165.1 -12.3 -2.8 -4.6 36 36 A P - 0 0 60 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.322 47.8 -90.3 -75.0 159.5 -14.3 -5.8 -5.8 37 37 A P S S+ 0 0 140 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.608 110.8 21.8 -75.0 116.4 -18.1 -6.1 -5.2 38 38 A G S S+ 0 0 74 -2,-0.6 0, 0.0 1,-0.5 0, 0.0 -0.433 84.5 120.7 128.0 -57.1 -18.7 -7.9 -1.9 39 39 A V - 0 0 42 -3,-0.2 -1,-0.5 1,-0.1 2,-0.5 -0.014 59.5-131.4 -39.9 142.2 -15.5 -7.4 -0.0 40 40 A E - 0 0 156 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.911 17.1-157.5-108.3 127.3 -16.1 -5.6 3.2 41 41 A L - 0 0 38 -2,-0.5 2,-0.5 13,-0.1 13,-0.2 -0.808 11.6-134.5-104.1 143.8 -13.9 -2.6 4.2 42 42 A E E -A 53 0A 108 11,-2.7 11,-2.0 -2,-0.4 2,-0.0 -0.848 22.1-120.5-101.0 130.1 -13.5 -1.5 7.8 43 43 A R E -A 52 0A 131 -2,-0.5 2,-0.9 9,-0.2 9,-0.2 -0.339 17.9-130.7 -66.4 146.5 -13.7 2.2 8.6 44 44 A V > + 0 0 0 7,-2.1 3,-1.1 5,-0.2 7,-0.5 -0.803 24.9 179.4-103.6 91.2 -10.7 3.9 10.1 45 45 A H T 3 S+ 0 0 134 -2,-0.9 -1,-0.2 1,-0.3 73,-0.1 0.923 78.9 67.9 -54.2 -48.4 -12.0 5.8 13.1 46 46 A E T 3 S+ 0 0 121 -3,-0.2 2,-0.3 72,-0.1 -1,-0.3 0.832 97.0 65.2 -39.1 -42.0 -8.5 7.0 13.9 47 47 A C S < S- 0 0 13 -3,-1.1 4,-0.2 71,-0.3 68,-0.1 -0.629 84.6-136.2 -87.1 144.9 -8.7 9.0 10.7 48 48 A Q S S+ 0 0 189 -2,-0.3 -1,-0.1 2,-0.1 67,-0.0 0.981 86.4 65.8 -61.7 -60.6 -11.2 11.8 10.5 49 49 A T S S- 0 0 42 1,-0.1 2,-2.4 -3,-0.1 -5,-0.2 -0.202 105.3 -95.6 -62.3 155.5 -12.5 10.9 7.0 50 50 A P + 0 0 47 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.472 56.5 175.5 -75.0 74.5 -14.4 7.7 6.5 51 51 A F - 0 0 0 -2,-2.4 -7,-2.1 -7,-0.5 2,-0.5 -0.750 10.6-165.3 -87.9 119.1 -11.4 5.7 5.3 52 52 A F E +AB 43 67A 46 15,-1.5 15,-1.6 -2,-0.6 2,-0.3 -0.896 11.0 173.1-108.7 132.9 -12.1 2.1 4.7 53 53 A V E -AB 42 66A 1 -11,-2.0 -11,-2.7 -2,-0.5 2,-0.3 -0.900 13.1-171.4-133.6 161.7 -9.4 -0.5 4.3 54 54 A H E - B 0 65A 23 11,-1.2 11,-0.6 -2,-0.3 2,-0.4 -0.818 5.6-164.2-159.4 113.0 -9.2 -4.3 4.0 55 55 A A E + B 0 64A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.815 25.7 140.4-102.1 140.0 -6.1 -6.4 4.1 56 56 A D E - B 0 63A 53 7,-0.6 7,-4.3 -2,-0.4 2,-0.4 -0.965 39.8-126.5-165.0 170.5 -6.1 -10.0 2.9 57 57 A V E - B 0 62A 38 5,-0.3 2,-0.6 -2,-0.3 5,-0.3 -0.990 14.6-165.5-135.3 124.4 -4.1 -12.6 1.0 58 58 A E E > S- B 0 61A 130 3,-1.8 2,-1.7 -2,-0.4 3,-0.6 -0.941 71.3 -31.0-114.3 114.5 -5.4 -14.7 -1.9 59 59 A G T 3 S- 0 0 92 -2,-0.6 3,-0.1 1,-0.2 -2,-0.0 -0.598 131.1 -28.2 84.6 -79.7 -3.4 -17.7 -3.0 60 60 A G T 3 S+ 0 0 55 -2,-1.7 2,-0.3 29,-0.1 -1,-0.2 0.083 121.2 76.8-159.0 26.2 0.0 -16.5 -2.0 61 61 A K E < S-B 58 0A 125 -3,-0.6 -3,-1.8 29,-0.1 29,-0.2 -0.966 75.6-108.8-141.9 155.7 -0.2 -12.7 -2.3 62 62 A V E -B 57 0A 1 27,-3.2 26,-1.0 24,-0.3 2,-0.5 -0.510 22.4-150.6 -84.0 153.5 -1.6 -9.8 -0.3 63 63 A R E -B 56 0A 98 -7,-4.3 -7,-0.6 -2,-0.2 2,-0.3 -0.898 9.4-164.1-130.8 102.1 -4.7 -7.9 -1.5 64 64 A L E -B 55 0A 18 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.634 7.3-175.1 -86.1 142.1 -5.0 -4.3 -0.4 65 65 A Y E +B 54 0A 40 -11,-0.6 -11,-1.2 -2,-0.3 2,-0.3 -0.955 4.1 176.2-143.6 120.0 -8.3 -2.6 -0.7 66 66 A F E -B 53 0A 7 -33,-0.4 2,-0.4 -2,-0.4 -13,-0.2 -0.893 11.5-164.8-123.6 153.4 -9.0 1.1 -0.1 67 67 A H E -B 52 0A 82 -15,-1.6 -15,-1.5 -2,-0.3 -2,-0.0 -0.925 4.1-174.3-142.1 112.4 -12.2 3.2 -0.4 68 68 A V - 0 0 24 -2,-0.4 -17,-0.1 1,-0.2 -2,-0.0 -0.939 6.3-177.6-111.9 117.4 -12.1 7.0 -0.4 69 69 A P S S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -18,-0.1 0.948 91.9 37.5 -75.0 -52.8 -15.5 8.8 -0.4 70 70 A D S S- 0 0 128 -20,-0.1 -2,-0.0 1,-0.1 5,-0.0 0.437 104.3-134.3 -77.9 0.7 -14.2 12.3 -0.5 71 71 A E - 0 0 143 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.839 31.7-163.5 46.8 38.1 -11.5 10.9 -2.8 72 72 A A > - 0 0 15 1,-0.1 4,-2.7 2,-0.1 5,-0.2 -0.215 18.8-144.2 -53.0 139.3 -9.1 12.9 -0.7 73 73 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -44,-0.2 0.845 102.5 43.7 -75.0 -36.2 -5.7 13.4 -2.4 74 74 A T H > S+ 0 0 46 2,-0.2 4,-1.1 3,-0.2 5,-0.1 0.760 118.5 45.5 -78.3 -27.2 -3.8 13.2 0.9 75 75 A V H > S+ 0 0 7 2,-0.2 4,-2.0 3,-0.1 -1,-0.1 0.910 119.5 38.9 -80.3 -47.2 -5.9 10.2 2.0 76 76 A K H X S+ 0 0 56 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.908 107.8 66.2 -68.5 -43.7 -5.7 8.4 -1.3 77 77 A A H >X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 3,-0.6 0.922 110.2 34.4 -40.1 -67.8 -2.1 9.3 -1.8 78 78 A F H 3X S+ 0 0 0 -4,-1.1 4,-3.2 1,-0.3 5,-0.3 0.956 113.0 58.6 -53.7 -58.3 -1.0 7.2 1.2 79 79 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.3 -1,-0.3 0.820 112.9 43.7 -40.7 -36.9 -3.6 4.5 0.7 80 80 A G H < S+ 0 0 0 -4,-3.2 3,-0.6 2,-0.2 -1,-0.2 0.960 115.4 33.7 -63.7 -53.4 0.6 1.6 0.9 83 83 A R H >X S+ 0 0 45 -4,-1.4 4,-2.1 -5,-0.3 3,-2.0 0.802 106.9 71.9 -71.7 -30.5 -0.5 -0.7 -2.0 84 84 A E H 3< S+ 0 0 34 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 116.3 23.0 -53.3 -33.6 2.3 0.8 -4.1 85 85 A G T << S+ 0 0 0 -4,-1.1 -79,-0.4 -3,-0.6 -1,-0.3 -0.207 135.9 35.2-127.5 40.5 4.7 -1.2 -2.0 86 86 A L T X4 S+ 0 0 1 -3,-2.0 3,-3.9 -81,-0.1 -24,-0.3 0.321 77.5 110.1-154.5 -44.4 2.4 -3.9 -0.6 87 87 A E T 3< S+ 0 0 79 -4,-2.1 -24,-0.1 1,-0.3 -1,-0.1 -0.268 100.5 9.5 -49.9 108.2 -0.1 -4.8 -3.3 88 88 A G T 3 S+ 0 0 32 -26,-1.0 -1,-0.3 1,-0.3 -25,-0.1 0.085 105.0 122.7 104.7 -20.2 1.0 -8.3 -4.3 89 89 A E < - 0 0 33 -3,-3.9 -27,-3.2 -28,-0.2 -1,-0.3 0.075 69.6 -83.7 -62.6-179.0 3.5 -8.5 -1.4 90 90 A S > - 0 0 54 -29,-0.2 4,-2.0 1,-0.1 -1,-0.1 -0.496 26.1-121.5 -89.3 160.7 3.3 -11.3 1.2 91 91 A P T 4 S+ 0 0 24 0, 0.0 43,-0.1 0, 0.0 4,-0.1 0.594 115.7 49.7 -75.0 -11.5 1.1 -11.3 4.3 92 92 A E T > S+ 0 0 122 2,-0.2 4,-1.9 3,-0.1 5,-0.1 0.788 110.5 46.4 -93.7 -35.7 4.3 -11.5 6.4 93 93 A A T 4 S+ 0 0 19 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.849 110.3 53.8 -74.1 -36.2 6.1 -8.7 4.7 94 94 A V T < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.731 113.3 44.8 -69.2 -22.4 3.1 -6.5 5.0 95 95 A L T 4 S+ 0 0 35 1,-0.2 -2,-0.2 -5,-0.1 -1,-0.2 0.799 102.3 63.1 -88.6 -34.7 3.1 -7.3 8.7 96 96 A E S < S+ 0 0 127 -4,-1.9 -94,-0.3 -95,-0.2 -2,-0.2 0.606 83.0 106.0 -65.0 -10.8 6.8 -6.8 9.1 97 97 A V S S- 0 0 1 -4,-0.5 30,-0.1 -96,-0.2 -3,-0.0 -0.588 72.1-131.2 -75.6 127.8 6.0 -3.2 8.1 98 98 A P > - 0 0 49 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.263 19.5-112.2 -75.0 164.8 6.2 -0.8 11.1 99 99 A P T 3 S+ 0 0 58 0, 0.0 24,-0.1 0, 0.0 25,-0.1 0.467 118.1 42.4 -75.0 -1.4 3.5 1.7 11.9 100 100 A G T > + 0 0 8 1,-0.1 3,-0.8 2,-0.0 4,-0.3 -0.369 64.7 133.1-142.0 57.1 6.1 4.4 11.0 101 101 A F T < S+ 0 0 9 -3,-0.8 -1,-0.1 1,-0.2 -91,-0.0 0.367 72.4 63.0 -87.7 3.5 7.8 3.2 7.9 102 102 A Y T 3 >S+ 0 0 7 1,-0.1 5,-1.4 3,-0.1 6,-1.2 0.235 83.6 77.3-109.2 9.2 7.4 6.6 6.4 103 103 A R T < 5S+ 0 0 162 -3,-0.8 2,-1.7 1,-0.2 -2,-0.1 0.830 81.0 66.2 -85.5 -37.3 9.6 8.3 9.0 104 104 A G T 5S+ 0 0 53 -4,-0.3 -1,-0.2 2,-0.1 2,-0.1 -0.265 114.7 24.0 -81.2 50.0 12.9 7.2 7.5 105 105 A Y T 5S- 0 0 35 -2,-1.7 -2,-0.1 -3,-0.3 -3,-0.1 -0.355 110.9 -70.2-165.1-109.8 12.2 9.3 4.4 106 106 A G T 5S+ 0 0 1 -4,-0.2 -3,-0.1 -2,-0.1 -2,-0.1 -0.032 90.7 100.4-168.2 45.2 10.1 12.4 3.9 107 107 A L S >> S+ 0 0 74 -6,-1.2 4,-0.7 1,-0.3 8,-0.1 0.882 103.9 53.6 -50.8 -43.4 5.6 12.4 7.6 109 109 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.511 112.7 47.7 -70.6 -3.8 6.5 16.0 6.6 110 110 A F H <4 S+ 0 0 49 -3,-2.9 -2,-0.2 2,-0.1 -1,-0.2 0.791 122.0 29.1-102.4 -42.5 4.1 15.5 3.8 111 111 A F H <>S- 0 0 5 -4,-2.5 5,-0.5 1,-0.1 4,-0.2 0.138 109.4-127.2-104.4 16.6 1.1 14.1 5.6 112 112 A T T X5 - 0 0 45 -4,-0.7 4,-1.0 -5,-0.3 -1,-0.1 0.324 28.6 -83.8 54.3 164.9 1.9 15.9 8.9 113 113 A P H >5S+ 0 0 86 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.637 129.8 48.0 -75.1 -15.1 2.3 14.1 12.2 114 114 A L H >>5S+ 0 0 102 2,-0.2 3,-1.6 -6,-0.1 4,-0.8 0.944 106.6 48.7 -86.2 -68.0 -1.5 14.3 12.6 115 115 A R H 3>5S+ 0 0 129 1,-0.3 4,-2.2 -4,-0.2 3,-0.4 0.783 108.1 62.1 -42.4 -31.3 -2.9 13.2 9.2 116 116 A L H 3XX S+ 0 0 46 -4,-4.8 4,-1.6 1,-0.2 3,-1.3 0.973 98.6 59.2 -57.6 -60.0 -1.2 4.9 10.3 121 121 A A H 3X S+ 0 0 1 -4,-1.9 4,-3.7 -5,-0.3 5,-0.3 0.795 98.6 65.7 -38.7 -33.9 -4.3 3.2 11.8 122 122 A A H 3X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.4 -1,-0.3 0.961 107.6 35.9 -54.6 -57.1 -4.7 2.0 8.2 123 123 A L H X S+ 0 0 60 -4,-3.7 3,-1.9 -5,-0.3 4,-1.4 0.979 114.4 45.0 -55.4 -64.5 -5.6 -2.1 11.1 126 126 A L H >X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.3 3,-1.5 0.910 110.0 56.2 -45.2 -52.0 -4.7 -4.0 8.0 127 127 A Q H 3X S+ 0 0 36 -4,-4.2 4,-1.6 1,-0.3 -1,-0.3 0.795 107.5 50.0 -51.5 -30.3 -1.9 -5.6 9.9 128 128 A A H << S+ 0 0 54 -3,-1.9 4,-0.4 -4,-1.3 -1,-0.3 0.727 109.3 50.8 -80.0 -24.2 -4.6 -6.8 12.3 129 129 A Q H 4 S+ 0 0 100 -4,-0.4 3,-1.7 2,-0.2 -1,-0.3 0.962 102.2 56.0 -65.5 -54.0 -6.2 -13.6 10.3 133 133 A A H >< S+ 0 0 18 -4,-1.0 3,-2.3 -3,-0.5 -2,-0.2 0.886 98.6 63.5 -43.8 -47.7 -5.1 -14.5 6.8 134 134 A L H 3< S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.877 125.2 16.2 -44.6 -45.0 -2.1 -16.2 8.3 135 135 A T T << 0 0 126 -3,-1.7 -1,-0.3 -4,-0.9 -2,-0.2 -0.257 360.0 360.0-125.0 43.2 -4.6 -18.6 9.9 136 136 A S < 0 0 129 -3,-2.3 -3,-0.2 -6,-0.1 -2,-0.1 0.434 360.0 360.0 -95.5 360.0 -7.7 -17.8 7.7