==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-09 2KL4 . COMPND 2 MOLECULE: BH2032 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR B.MOHANTY,M.GERALT,W.AUGUSTYNIAK,P.SERRANO,R.HORST, . 118 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 71.2 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 . 22 18.6 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 . 3 2.5 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 . 6 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 3 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 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 2 0 2 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 . 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 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 G 0 0 100 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.5 -15.4 -2.9 11.0 2 2 A S + 0 0 91 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.458 360.0 139.3 -62.4 140.4 -15.7 -5.3 8.0 3 3 A H >> + 0 0 38 -2,-0.1 3,-1.5 35,-0.1 4,-1.2 0.379 53.6 75.1-150.6 -31.9 -13.1 -4.5 5.3 4 4 A M H 3> S+ 0 0 63 1,-0.3 4,-3.2 2,-0.2 3,-0.3 0.907 90.7 63.9 -56.0 -41.4 -11.7 -7.8 4.0 5 5 A E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.669 100.0 52.2 -55.6 -28.5 -15.0 -8.4 2.1 6 6 A V H X4 S+ 0 0 41 -3,-1.5 3,-0.6 2,-0.1 4,-0.3 0.947 121.0 30.1 -70.6 -53.3 -14.3 -5.3 -0.1 7 7 A F H >X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 3,-1.5 0.772 102.9 76.4 -81.6 -28.7 -10.8 -6.4 -1.1 8 8 A A T 3< S+ 0 0 37 -4,-3.2 4,-0.3 1,-0.3 -1,-0.2 0.425 90.2 60.1 -74.9 0.9 -11.3 -10.2 -1.0 9 9 A E T <> S+ 0 0 126 -3,-0.6 4,-0.9 -5,-0.2 -1,-0.3 0.752 107.8 43.3 -87.0 -35.4 -13.2 -10.0 -4.3 10 10 A Y H X> S+ 0 0 23 -3,-1.5 4,-0.7 -4,-0.3 3,-0.5 0.921 106.8 60.4 -80.3 -41.1 -10.2 -8.5 -6.1 11 11 A L H >< S+ 0 0 14 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.813 103.0 53.7 -51.4 -37.8 -7.7 -11.0 -4.4 12 12 A K H 34 S+ 0 0 142 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.901 103.1 56.1 -61.9 -46.1 -9.7 -13.8 -6.1 13 13 A G H << S+ 0 0 62 -4,-0.9 2,-1.1 -3,-0.5 -1,-0.2 0.515 77.7 104.6 -72.5 -9.0 -9.3 -12.2 -9.5 14 14 A I << - 0 0 28 -4,-0.7 6,-0.1 -3,-0.6 -3,-0.0 -0.683 54.6-169.8 -67.8 103.9 -5.5 -12.2 -9.1 15 15 A D S S+ 0 0 158 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.346 70.7 81.4 -76.1 3.4 -4.8 -15.2 -11.5 16 16 A H > + 0 0 79 1,-0.1 3,-1.1 2,-0.0 4,-0.4 -0.741 52.1 164.3-116.6 73.8 -1.2 -15.0 -10.2 17 17 A P G >> + 0 0 72 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.791 63.1 75.2 -71.0 -28.0 -1.4 -17.0 -6.8 18 18 A D G 34 S+ 0 0 112 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.711 117.8 18.5 -65.0 -15.8 2.4 -17.5 -6.5 19 19 A H G <> S+ 0 0 40 -3,-1.1 4,-0.5 2,-0.1 3,-0.4 0.221 104.9 91.5-133.4 5.0 2.7 -13.8 -5.4 20 20 A R H X> S+ 0 0 75 -3,-0.8 3,-2.2 -4,-0.4 4,-0.5 0.980 75.5 62.3 -66.1 -55.6 -1.0 -13.1 -4.5 21 21 A D H 3X S+ 0 0 82 -4,-0.9 4,-0.7 1,-0.3 -1,-0.2 0.584 93.5 64.3 -59.7 -14.8 -0.8 -13.9 -0.8 22 22 A R H >> S+ 0 0 110 -3,-0.4 4,-1.1 1,-0.2 3,-0.8 0.896 95.3 60.9 -63.7 -43.2 1.7 -11.1 -0.1 23 23 A T H X>S+ 0 0 51 -4,-2.2 4,-3.1 -5,-0.2 3,-1.6 0.898 107.1 48.6 -60.2 -47.8 -1.9 -4.8 8.3 30 30 A V H 3X5S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.3 7,-0.2 0.963 111.8 50.4 -56.3 -50.1 -3.1 -1.4 7.1 31 31 A A H 3<5S+ 0 0 33 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.332 118.2 41.5 -68.8 3.5 -6.5 -2.1 8.8 32 32 A A H <45S+ 0 0 71 -3,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.690 121.7 32.2-117.6 -54.0 -4.5 -3.0 12.0 33 33 A T H <5S+ 0 0 47 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.851 132.4 34.5 -72.7 -32.9 -1.7 -0.4 12.4 34 34 A F ><< + 0 0 7 -4,-2.3 3,-2.3 -5,-0.5 -1,-0.2 -0.431 67.7 157.8-120.7 57.5 -3.8 2.4 10.8 35 35 A P T 3 + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.617 63.6 77.9 -65.3 -11.2 -7.4 1.6 11.9 36 36 A N T 3 S+ 0 0 105 -3,-0.1 15,-0.5 14,-0.1 2,-0.2 0.615 82.0 84.2 -71.9 -12.2 -8.5 5.3 11.3 37 37 A L < - 0 0 10 -3,-2.3 13,-0.3 -7,-0.2 -3,-0.0 -0.612 68.2-154.2 -80.0 156.7 -8.6 4.4 7.6 38 38 A E E -A 49 0A 104 11,-1.9 11,-2.8 -2,-0.2 14,-0.1 -0.930 24.3 -97.0-129.2 152.6 -11.7 2.8 6.0 39 39 A P E +A 48 0A 34 0, 0.0 9,-0.2 0, 0.0 2,-0.2 -0.206 36.3 175.4 -70.2 159.2 -11.9 0.6 2.9 40 40 A Q E -A 47 0A 64 7,-1.5 7,-1.6 -37,-0.1 2,-0.8 -0.808 23.6-148.5-161.9 120.2 -12.8 1.7 -0.7 41 41 A M E +A 46 0A 75 -2,-0.2 2,-0.3 5,-0.2 7,-0.0 -0.824 39.9 156.2 -81.3 109.3 -12.9 -0.4 -4.0 42 42 A K E > +A 45 0A 97 3,-1.5 3,-3.0 -2,-0.8 -2,-0.1 -0.967 60.0 4.1-135.6 149.3 -12.0 2.3 -6.7 43 43 A W T 3 S- 0 0 234 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.602 122.0 -73.4 55.5 16.7 -10.4 2.0 -10.2 44 44 A N T 3 S+ 0 0 128 1,-0.3 -1,-0.3 15,-0.0 -3,-0.0 0.524 115.1 106.9 64.6 15.3 -10.6 -1.8 -9.6 45 45 A T E < S-A 42 0A 43 -3,-3.0 -3,-1.5 14,-0.1 2,-0.7 -0.673 79.8 -95.9-116.4 161.4 -7.7 -1.3 -7.2 46 46 A P E +A 41 0A 2 0, 0.0 12,-2.7 0, 0.0 2,-0.3 -0.771 52.0 152.4 -76.6 116.9 -7.3 -1.3 -3.4 47 47 A M E -AB 40 57A 7 -7,-1.6 -7,-1.5 -2,-0.7 2,-0.3 -0.883 25.3-155.9-128.4 170.3 -7.5 2.1 -1.7 48 48 A F E -AB 39 56A 4 8,-1.6 8,-0.7 -2,-0.3 2,-0.4 -0.927 9.3-146.0-137.0 165.0 -8.5 3.2 1.8 49 49 A S E -A 38 0A 7 -11,-2.8 -11,-1.9 -2,-0.3 2,-1.1 -0.994 14.1-138.4-140.7 120.8 -9.8 6.6 2.9 50 50 A N S > S- 0 0 24 -2,-0.4 3,-1.8 -13,-0.3 -13,-0.2 -0.779 97.4 -33.5 -71.9 99.7 -9.3 8.4 6.2 51 51 A Q T 3 S- 0 0 170 -2,-1.1 -1,-0.2 -15,-0.5 -14,-0.1 0.884 130.7 -38.8 49.0 42.0 -12.9 9.7 6.5 52 52 A G T 3 S+ 0 0 61 -3,-0.3 -1,-0.3 1,-0.2 -15,-0.0 0.067 109.1 117.5 103.4 -21.1 -13.1 10.0 2.6 53 53 A T < - 0 0 67 -3,-1.8 -1,-0.2 1,-0.1 3,-0.1 0.164 68.6-116.1 -73.3-171.3 -9.6 11.3 1.6 54 54 A F + 0 0 113 -5,-0.1 -5,-0.1 1,-0.1 -1,-0.1 -0.001 59.7 137.1-117.2 26.5 -6.9 9.6 -0.6 55 55 A I S S+ 0 0 4 -5,-0.1 2,-0.3 1,-0.1 -6,-0.1 0.471 73.4 26.9 -67.0 -1.2 -4.0 9.1 1.9 56 56 A I E +B 48 0A 4 -8,-0.7 -8,-1.6 -3,-0.1 2,-0.3 -0.920 59.3 151.3-155.9 142.6 -3.3 5.5 0.6 57 57 A G E +BC 47 68A 19 11,-1.6 11,-0.9 -2,-0.3 2,-0.2 -0.948 9.2 165.4-155.6 149.9 -3.8 3.5 -2.6 58 58 A F E - C 0 67A 4 -12,-2.7 2,-0.3 -2,-0.3 9,-0.2 -0.873 9.7-170.3-145.2 178.5 -1.9 0.4 -4.1 59 59 A S E - C 0 66A 40 7,-0.9 7,-2.1 -2,-0.2 2,-0.2 -0.896 34.0 -96.0-166.2 153.8 -2.4 -2.2 -6.9 60 60 A T E - C 0 65A 52 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.501 36.3-155.0 -69.1 138.8 -0.6 -5.4 -8.0 61 61 A S - 0 0 22 3,-2.7 -1,-0.0 -2,-0.2 33,-0.0 -0.608 35.7 -96.4-102.4 174.4 1.9 -5.1 -10.8 62 62 A K S S+ 0 0 185 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.467 120.0 0.5 -71.4 -5.1 3.0 -7.9 -13.2 63 63 A H S S+ 0 0 111 1,-0.2 34,-2.4 32,-0.1 35,-0.3 0.258 133.0 35.5-159.3 7.5 6.1 -8.5 -11.0 64 64 A H E S- D 0 96A 52 32,-0.3 -3,-2.7 33,-0.1 2,-0.4 -0.826 73.8-110.6-151.1-178.6 5.9 -6.1 -8.1 65 65 A L E -CD 60 95A 2 30,-1.3 30,-1.0 -2,-0.2 2,-0.6 -0.976 27.9-142.8-135.1 120.1 3.4 -4.3 -5.7 66 66 A S E +CD 59 94A 17 -7,-2.1 -7,-0.9 -2,-0.4 2,-0.3 -0.756 27.5 175.3 -98.3 108.8 3.0 -0.6 -6.2 67 67 A V E +CD 58 93A 5 26,-2.0 26,-3.1 -2,-0.6 -9,-0.2 -0.903 12.0 138.9-129.5 140.3 2.6 1.4 -2.9 68 68 A S E -C 57 0A 11 -11,-0.9 -11,-1.6 -2,-0.3 4,-0.0 -0.863 40.5-141.4-171.3 144.9 2.3 5.1 -1.9 69 69 A P S S- 0 0 5 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 0.974 79.1 -60.9 -75.2 -56.7 0.3 7.2 0.5 70 70 A E S S- 0 0 61 -14,-0.1 -15,-0.0 -15,-0.1 40,-0.0 0.162 90.5 -49.6-148.0 -83.8 -0.1 10.3 -1.8 71 71 A E S >> S+ 0 0 136 -3,-0.0 3,-2.7 21,-0.0 4,-0.6 0.598 119.0 70.9-131.5 -46.4 3.2 12.0 -2.9 72 72 A I H >>>S+ 0 0 37 1,-0.3 4,-1.4 2,-0.2 3,-1.2 0.798 90.9 64.2 -58.3 -35.2 5.4 12.7 0.1 73 73 A G H 345S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 36,-0.1 0.696 111.0 38.6 -53.9 -24.7 6.2 9.0 0.6 74 74 A I H <45S+ 0 0 11 -3,-2.7 -1,-0.3 3,-0.1 -2,-0.2 0.370 115.0 55.5-112.9 -3.5 7.9 9.1 -2.8 75 75 A S H <<5S+ 0 0 76 -3,-1.2 -2,-0.2 -4,-0.6 4,-0.2 0.892 126.3 4.5 -91.1 -72.6 9.5 12.5 -2.4 76 76 A Q T ><5S+ 0 0 117 -4,-1.4 3,-1.6 1,-0.2 4,-0.5 0.947 132.1 49.9 -85.8 -49.2 11.6 12.5 0.8 77 77 A F T 3> S+ 0 0 24 -6,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.721 84.7 58.9 -62.9 -21.6 12.3 7.7 -1.5 79 79 A D H <> S+ 0 0 107 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.936 106.8 45.6 -72.8 -45.0 16.0 8.2 -0.6 80 80 A A H > S+ 0 0 48 -4,-0.5 4,-1.1 1,-0.2 -2,-0.2 0.903 112.1 53.2 -58.4 -43.2 15.7 5.7 2.4 81 81 A I H X>S+ 0 0 9 -4,-2.2 5,-2.0 2,-0.2 4,-1.1 0.891 106.5 53.4 -60.4 -41.5 13.8 3.3 -0.0 82 82 A A H ><5S+ 0 0 53 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.970 112.0 42.5 -56.3 -55.6 16.7 3.6 -2.5 83 83 A Q H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.572 104.6 65.6 -72.6 -13.1 19.3 2.6 0.1 84 84 A A H 3<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.774 125.7-101.7 -74.1 -26.4 17.0 -0.1 1.4 85 85 A G T <<5S+ 0 0 60 -3,-1.2 2,-0.2 -4,-1.1 -3,-0.2 0.429 83.2 108.2 126.4 5.0 17.5 -1.7 -2.0 86 86 A Y < - 0 0 30 -5,-2.0 -1,-0.4 9,-0.1 2,-0.2 -0.682 55.7-132.3-112.9 160.9 14.3 -0.9 -4.0 87 87 A S E -E 94 0A 74 7,-0.6 7,-1.8 -2,-0.2 2,-0.2 -0.513 21.0-171.3 -91.7 173.0 13.4 1.4 -6.9 88 88 A A E -E 93 0A 39 5,-0.2 5,-0.3 -2,-0.2 2,-0.2 -0.645 18.5-130.8-134.0-166.2 10.4 3.8 -7.0 89 89 A T - 0 0 83 3,-2.3 5,-0.1 -2,-0.2 0, 0.0 -0.658 44.4 -94.8-119.0-168.7 8.7 5.9 -9.6 90 90 A K S S+ 0 0 201 -2,-0.2 -16,-0.1 1,-0.1 3,-0.1 0.790 125.1 37.3 -68.7 -27.6 7.8 9.6 -8.9 91 91 A G S S+ 0 0 45 1,-0.2 2,-0.3 -18,-0.1 -1,-0.1 0.541 126.0 5.5-112.5 -14.1 4.3 8.5 -7.8 92 92 A L - 0 0 52 -18,-0.1 -3,-2.3 -19,-0.1 2,-0.2 -0.968 65.8-118.0-156.4 166.6 4.8 5.2 -6.0 93 93 A F E -DE 67 88A 7 -26,-3.1 -26,-2.0 -2,-0.3 2,-0.4 -0.683 25.0-147.3-103.6 165.0 7.4 2.8 -4.7 94 94 A R E -DE 66 87A 92 -7,-1.8 -7,-0.6 -2,-0.2 -28,-0.2 -0.990 13.3-170.7-138.9 126.6 7.9 -0.8 -5.9 95 95 A I E -D 65 0A 6 -30,-1.0 -30,-1.3 -2,-0.4 2,-0.2 -0.928 33.5-120.3-105.0 142.7 9.1 -4.0 -4.2 96 96 A P E > -D 64 0A 26 0, 0.0 3,-1.9 0, 0.0 -32,-0.3 -0.570 25.3-114.5 -81.5 145.8 9.7 -7.0 -6.5 97 97 A W T 3 S+ 0 0 13 -34,-2.4 -33,-0.1 1,-0.3 4,-0.1 0.767 112.2 57.7 -56.4 -30.5 7.6 -10.1 -5.7 98 98 A N T 3 S+ 0 0 131 -35,-0.3 -1,-0.3 2,-0.1 -34,-0.1 0.760 104.0 59.5 -65.8 -26.6 10.6 -12.2 -4.8 99 99 A D S < S- 0 0 76 -3,-1.9 2,-0.1 1,-0.1 -4,-0.1 -0.551 92.4 -86.9-115.9 162.2 11.8 -9.8 -2.0 100 100 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.422 31.1-119.6 -80.0 148.1 10.2 -8.5 1.2 101 101 A V - 0 0 23 -2,-0.1 2,-1.7 -6,-0.1 3,-0.2 -0.648 23.0-131.3 -73.7 124.2 8.0 -5.4 1.6 102 102 A H > + 0 0 73 -2,-0.4 4,-1.7 1,-0.2 5,-0.2 -0.621 34.2 173.4 -75.0 77.2 9.7 -2.9 4.0 103 103 A Y H > S+ 0 0 54 -2,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.869 73.0 57.9 -53.1 -40.9 6.5 -2.4 6.1 104 104 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.972 105.7 44.9 -57.9 -60.9 8.5 -0.3 8.6 105 105 A L H > S+ 0 0 23 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.858 116.5 48.4 -54.0 -38.7 9.7 2.4 6.1 106 106 A L H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.818 105.5 55.9 -79.9 -27.9 6.1 2.6 4.6 107 107 A K H X S+ 0 0 74 -4,-2.3 4,-2.8 -3,-0.5 5,-0.4 0.929 103.7 58.6 -62.0 -42.7 4.3 2.9 8.0 108 108 A Q H X S+ 0 0 120 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.913 109.7 40.3 -55.6 -52.6 6.5 5.9 8.7 109 109 A M H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.836 117.4 46.5 -69.5 -36.6 5.4 7.9 5.7 110 110 A I H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.961 116.1 44.6 -73.7 -46.7 1.6 6.9 5.9 111 111 A E H X S+ 0 0 78 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.898 115.7 50.2 -60.6 -40.1 1.4 7.6 9.6 112 112 A F H X S+ 0 0 58 -4,-2.3 4,-2.2 -5,-0.4 -2,-0.2 0.949 108.7 49.9 -61.0 -50.1 3.4 10.9 9.0 113 113 A N H X S+ 0 0 8 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.895 111.9 50.3 -59.5 -38.3 1.0 11.9 6.2 114 114 A I H >< S+ 0 0 44 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.922 113.6 42.9 -60.3 -52.3 -1.9 11.3 8.5 115 115 A Q H >< S+ 0 0 130 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.749 113.5 53.5 -70.3 -22.5 -0.5 13.3 11.4 116 116 A D H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.681 100.0 62.0 -83.0 -20.6 0.6 16.1 9.0 117 117 A K T << 0 0 115 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.036 360.0 360.0 -96.9 20.0 -3.0 16.4 7.5 118 118 A E < 0 0 220 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.801 360.0 360.0 -56.5 360.0 -4.4 17.5 10.8