==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-12 4DDY . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.NICHOLS,Y.CHEN . 521 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 71.6 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 . 80 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 0 0 0 0 6 2 4 3 1 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 2 0 2 4 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 . 4 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 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 28 A A > 0 0 82 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.3 20.8 68.6 -0.6 2 29 A V H > + 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 360.0 54.9 -65.9 -39.9 18.7 66.2 1.5 3 30 A Q H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 106.5 51.8 -59.0 -36.2 16.0 68.9 1.5 4 31 A Q H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 109.7 48.6 -68.9 -38.1 16.1 68.9 -2.3 5 32 A K H X S+ 0 0 113 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.918 111.2 49.4 -65.5 -45.0 15.7 65.2 -2.4 6 33 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.894 108.9 54.6 -60.0 -39.2 12.8 65.3 0.0 7 34 A A H X S+ 0 0 34 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.883 107.9 49.0 -56.9 -41.9 11.3 68.0 -2.2 8 35 A A H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.924 111.9 48.0 -66.6 -43.8 11.5 65.7 -5.2 9 36 A L H < S+ 0 0 30 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.935 112.3 49.5 -58.1 -48.8 9.9 62.9 -3.3 10 37 A E H >X S+ 0 0 18 -4,-2.7 3,-1.4 1,-0.2 4,-0.8 0.929 108.8 52.7 -58.9 -48.2 7.1 65.2 -2.1 11 38 A K H 3< S+ 0 0 177 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.871 112.6 43.9 -57.9 -40.3 6.5 66.5 -5.7 12 39 A S T 3< S+ 0 0 105 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.431 106.0 65.2 -80.2 -1.3 6.1 62.9 -7.1 13 40 A S T <4 S- 0 0 9 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.661 94.8-135.2 -92.7 -23.4 3.9 61.9 -4.1 14 41 A G S < S+ 0 0 59 -4,-0.8 -3,-0.1 -3,-0.5 -4,-0.1 0.192 75.3 77.9 85.3 -11.1 1.0 64.2 -4.9 15 42 A G S S- 0 0 17 -5,-0.4 2,-0.4 222,-0.1 -1,-0.3 -0.183 87.4 -86.4-113.7-162.0 0.9 65.1 -1.1 16 43 A R E -A 236 0A 69 220,-3.1 220,-2.2 -3,-0.1 2,-0.4 -0.981 38.9-161.7-121.3 124.6 2.5 67.3 1.6 17 44 A L E -A 235 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.899 7.8-171.0-113.4 133.1 5.5 65.8 3.4 18 45 A G E +A 234 0A 0 216,-3.2 216,-3.1 -2,-0.4 2,-0.4 -0.994 9.9 179.4-124.7 133.1 7.0 66.9 6.7 19 46 A V E +AB 233 32A 0 13,-2.7 13,-2.9 -2,-0.4 2,-0.4 -0.990 11.5 177.2-135.5 136.0 10.2 65.6 8.1 20 47 A A E -AB 232 31A 0 212,-2.2 212,-2.6 -2,-0.4 2,-0.4 -0.936 6.0-179.7-138.3 121.8 12.3 66.2 11.2 21 48 A L E -AB 231 30A 3 9,-2.8 9,-1.9 -2,-0.4 2,-0.5 -0.960 7.3-169.9-111.9 132.4 15.5 64.4 12.0 22 49 A I E -AB 230 29A 2 208,-2.6 208,-2.5 -2,-0.4 2,-0.7 -0.996 9.4-157.1-115.9 125.5 17.6 65.0 15.1 23 50 A D E >>> -AB 229 28A 18 5,-2.6 4,-1.9 -2,-0.5 3,-1.4 -0.893 2.3-161.2 -94.5 109.8 21.0 63.3 15.1 24 51 A T T 345S+ 0 0 27 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.604 81.5 77.2 -72.6 -7.6 22.0 62.9 18.7 25 52 A A T 345S- 0 0 61 203,-0.3 -1,-0.3 202,-0.3 204,-0.1 0.852 125.1 -0.8 -63.3 -31.8 25.6 62.5 17.8 26 53 A D T <45S- 0 0 84 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.362 95.0-114.9-141.1 2.4 25.8 66.2 17.2 27 54 A N T <5 + 0 0 102 -4,-1.9 -3,-0.2 1,-0.2 2,-0.0 0.434 64.6 149.0 70.2 2.8 22.3 67.7 17.9 28 55 A T E < -B 23 0A 77 -5,-0.5 -5,-2.6 -6,-0.1 2,-0.4 -0.302 33.4-147.2 -72.9 150.2 22.0 68.7 14.3 29 56 A Q E -B 22 0A 73 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.885 13.9-159.8-114.7 144.5 18.6 68.7 12.6 30 57 A V E -B 21 0A 36 -9,-1.9 -9,-2.8 -2,-0.4 2,-0.4 -0.997 24.7-175.8-115.5 133.6 17.3 68.1 9.1 31 59 A L E +B 20 0A 26 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.952 20.3 179.8-130.3 139.5 14.0 69.7 8.6 32 60 A Y E S-B 19 0A 29 -13,-2.9 -13,-2.7 -2,-0.4 4,-0.1 -0.957 90.3 -17.0-135.3 116.1 11.6 69.6 5.7 33 61 A R S > S+ 0 0 90 -2,-0.4 3,-1.7 -15,-0.2 123,-0.1 0.888 91.7 161.5 54.3 37.0 8.3 71.7 6.3 34 62 A G T 3 + 0 0 6 1,-0.3 122,-2.5 121,-0.1 123,-0.5 0.722 65.9 42.2 -67.2 -19.7 9.6 71.3 9.9 35 63 A D T 3 S+ 0 0 104 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.163 91.9 103.4-112.1 14.6 7.4 74.2 11.2 36 64 A E S < S- 0 0 67 -3,-1.7 2,-0.3 -4,-0.1 120,-0.1 -0.719 74.9-112.2 -91.3 146.9 4.2 73.4 9.3 37 65 A R + 0 0 96 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.618 35.5 178.7 -79.8 140.6 1.3 71.8 11.1 38 66 A F E -E 153 0B 1 115,-2.4 115,-1.7 -2,-0.3 2,-0.3 -0.987 37.7-101.1-133.4 147.2 0.3 68.2 10.3 39 67 A P E -E 152 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.498 29.6-154.8 -67.1 129.1 -2.4 66.0 11.8 40 68 A M > + 0 0 0 111,-2.5 3,-1.9 -2,-0.3 4,-0.2 0.774 20.8 175.9 -72.6 -33.3 -0.8 63.7 14.2 41 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 -1,-0.1 -0.238 71.7 -11.6 49.7-141.4 -3.3 60.8 14.2 42 70 A S G > S+ 0 0 10 1,-0.3 3,-1.8 167,-0.2 4,-0.3 0.551 119.4 82.9 -71.9 -4.1 -2.1 57.9 16.3 43 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.5 0.807 81.5 69.0 -62.1 -23.0 1.4 59.3 16.6 44 72 A S H <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.2 3,-0.3 0.707 78.1 79.8 -64.7 -17.6 -0.3 61.3 19.5 45 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.816 84.5 61.1 -62.4 -29.4 -0.6 57.9 21.4 46 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.924 103.8 47.9 -62.3 -46.0 3.1 58.3 22.4 47 75 A M H X S+ 0 0 1 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.898 112.8 48.7 -61.0 -41.9 2.3 61.6 24.3 48 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.936 113.8 44.9 -67.5 -45.4 -0.7 60.0 26.0 49 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.902 112.9 51.8 -62.0 -42.1 1.3 56.9 27.1 50 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.883 106.9 53.6 -62.4 -36.4 4.2 59.1 28.2 51 79 A A H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 109.5 47.7 -65.5 -41.2 1.9 61.3 30.3 52 80 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.907 109.8 53.1 -68.1 -38.8 0.6 58.2 32.1 53 81 A L H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.915 107.9 51.5 -61.0 -42.7 4.2 57.0 32.7 54 82 A K H >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.938 107.9 51.4 -61.6 -41.1 4.9 60.4 34.2 55 83 A Q H >< S+ 0 0 52 -4,-2.3 3,-1.4 1,-0.3 4,-0.4 0.866 102.5 61.9 -56.0 -38.6 1.9 60.0 36.5 56 84 A S H 3< S+ 0 0 10 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.664 87.7 72.4 -68.5 -16.7 3.3 56.6 37.5 57 85 A E T << S+ 0 0 69 -3,-1.3 -1,-0.3 -4,-0.7 3,-0.2 0.786 107.5 34.3 -67.6 -29.1 6.4 58.3 38.9 58 86 A T S < S+ 0 0 129 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 0.388 123.8 46.9-105.7 1.9 4.4 59.5 41.8 59 87 A Q > - 0 0 89 -4,-0.4 3,-2.5 -3,-0.3 4,-0.3 -0.708 66.7-170.8-139.8 88.4 2.1 56.5 42.0 60 88 A K T 3 S+ 0 0 191 1,-0.3 3,-0.2 -2,-0.2 -4,-0.1 0.657 86.5 46.6 -57.3 -22.2 4.2 53.3 41.9 61 89 A Q T > S+ 0 0 125 1,-0.1 3,-1.7 2,-0.1 4,-0.3 0.361 81.4 103.8 -96.2 3.5 1.1 51.0 41.5 62 90 A L G X S+ 0 0 1 -3,-2.5 3,-2.1 1,-0.3 29,-0.6 0.886 73.6 57.4 -55.5 -41.8 -0.6 53.1 38.8 63 91 A L G 3 S+ 0 0 32 -4,-0.3 29,-2.3 1,-0.3 30,-0.4 0.690 106.9 49.7 -70.6 -13.5 0.3 50.9 35.9 64 92 A N G < S+ 0 0 100 -3,-1.7 -1,-0.3 27,-0.2 -2,-0.2 0.321 81.1 120.8-100.1 7.7 -1.4 48.0 37.6 65 93 A Q < - 0 0 78 -3,-2.1 26,-1.1 -4,-0.3 2,-0.2 -0.560 64.8-126.6 -70.8 123.5 -4.6 50.0 38.3 66 94 A P E -F 90 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.484 20.1-161.6 -73.5 144.2 -7.6 48.2 36.5 67 95 A V E -F 89 0C 28 22,-2.4 22,-2.2 -2,-0.2 2,-0.2 -0.997 22.2-120.6-125.5 125.7 -9.8 50.2 34.1 68 96 A E E -F 88 0C 137 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.484 19.4-156.0 -65.5 134.1 -13.2 48.9 33.3 69 97 A I E -F 87 0C 1 18,-2.4 17,-2.6 15,-0.4 18,-0.6 -0.967 16.1-172.7-110.5 111.8 -13.8 48.2 29.6 70 98 A K >> - 0 0 86 -2,-0.6 3,-1.9 15,-0.2 4,-0.7 -0.741 37.1-111.2-104.9 158.7 -17.5 48.3 28.8 71 99 A P G >4 S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.892 118.8 55.5 -50.0 -42.3 -19.3 47.4 25.5 72 100 A A G 34 S+ 0 0 95 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.647 97.4 65.4 -67.4 -16.9 -20.2 51.1 24.9 73 101 A D G <4 S+ 0 0 34 -3,-1.9 -1,-0.3 2,-0.0 35,-0.1 0.738 75.7 105.6 -77.0 -23.6 -16.5 52.0 25.2 74 102 A L << + 0 0 54 -3,-1.2 4,-0.1 -4,-0.7 2,-0.1 -0.338 47.2 178.6 -66.0 135.0 -15.4 50.2 22.1 75 103 A V - 0 0 47 2,-0.1 3,-0.2 -2,-0.0 -1,-0.1 0.133 48.5 -56.3-105.0-130.7 -14.7 52.4 19.1 76 104 A N S S+ 0 0 101 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.405 121.0 29.8-102.7 -2.0 -13.5 51.6 15.6 77 105 A Y + 0 0 125 1,-0.0 27,-2.8 0, 0.0 28,-0.7 -0.677 63.3 148.3-159.9 96.4 -10.3 49.7 16.1 78 106 A N > + 0 0 18 25,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.350 2.6 153.4-135.4 51.1 -10.0 47.7 19.2 79 107 A P T 4 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.776 87.0 24.9 -59.7 -27.7 -7.9 44.6 18.6 80 108 A I T >4 S+ 0 0 31 -3,-0.1 3,-1.7 2,-0.1 4,-0.4 0.847 119.9 54.3 -99.1 -45.0 -6.9 44.3 22.2 81 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.776 97.4 65.3 -60.6 -33.0 -9.7 46.1 24.1 82 110 A E G >< S+ 0 0 116 -4,-2.2 3,-0.7 1,-0.3 -1,-0.3 0.776 94.7 60.5 -62.4 -23.2 -12.5 43.9 22.5 83 111 A K G < S+ 0 0 144 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.693 107.7 45.6 -74.9 -15.9 -11.0 40.9 24.3 84 112 A H G X S+ 0 0 49 -3,-1.5 3,-2.3 -4,-0.4 -15,-0.4 0.150 74.1 141.5-116.8 11.6 -11.6 42.6 27.7 85 113 A V T < S+ 0 0 37 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.333 79.1 17.0 -59.2 137.4 -15.2 43.9 27.3 86 114 A N T 3 S+ 0 0 138 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.553 125.9 69.9 65.5 13.3 -17.1 43.5 30.6 87 115 A G E < S-F 69 0C 31 -3,-2.3 -18,-2.4 -18,-0.6 2,-0.3 -0.406 84.7 -93.8-131.2-155.9 -13.7 43.0 32.3 88 116 A T E -F 68 0C 71 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.935 17.6-162.6-128.2 153.5 -10.6 45.2 33.1 89 117 A M E -F 67 0C 0 -22,-2.2 -22,-2.4 -2,-0.3 2,-0.1 -0.986 25.5-124.7-124.1 150.5 -7.3 46.2 31.7 90 118 A T E > -F 66 0C 28 -2,-0.3 4,-2.4 -24,-0.2 5,-0.2 -0.433 29.2-108.4 -82.2 163.8 -4.5 47.8 33.7 91 119 A L H > S+ 0 0 0 -26,-1.1 4,-2.1 -29,-0.6 -28,-0.2 0.828 122.6 54.8 -62.1 -29.9 -3.0 51.1 32.6 92 120 A A H > S+ 0 0 25 -29,-2.3 4,-2.8 2,-0.2 5,-0.2 0.942 108.6 48.1 -64.1 -47.0 0.2 49.2 31.5 93 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.902 113.0 47.5 -59.2 -40.1 -2.0 46.9 29.3 94 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.858 111.4 51.1 -70.4 -35.0 -3.8 49.9 27.8 95 123 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.931 113.0 45.0 -66.8 -47.4 -0.5 51.7 27.2 96 124 A A H X>S+ 0 0 20 -4,-2.8 4,-2.8 1,-0.2 5,-0.6 0.892 114.2 49.8 -62.0 -43.4 1.0 48.6 25.4 97 125 A A H X>S+ 0 0 4 -4,-2.4 6,-1.9 -5,-0.2 4,-1.5 0.929 113.8 45.7 -62.8 -43.3 -2.2 48.1 23.4 98 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.926 121.9 35.1 -64.9 -47.4 -2.2 51.7 22.3 99 127 A L H <5S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.932 127.3 32.6 -75.5 -43.3 1.4 51.9 21.4 100 128 A Q H <5S+ 0 0 33 -4,-2.8 87,-2.0 -5,-0.3 88,-0.3 0.739 135.4 22.6 -92.4 -28.4 2.1 48.5 20.0 101 129 A Y H < - 0 0 0 -6,-1.9 4,-1.8 1,-0.1 -25,-0.2 -0.462 18.1-159.2 -65.8 122.1 -5.8 50.2 19.8 104 132 A N H > S+ 0 0 8 -27,-2.8 4,-1.9 -2,-0.3 34,-0.3 0.800 90.3 54.5 -80.3 -30.8 -8.1 53.3 19.8 105 133 A T H > S+ 0 0 0 -28,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.919 108.7 51.2 -61.3 -44.0 -10.2 52.1 22.8 106 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.933 107.6 52.3 -60.9 -46.4 -7.0 51.8 24.7 107 135 A M H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.921 105.6 55.2 -54.0 -44.8 -6.0 55.4 23.7 108 136 A N H X S+ 0 0 32 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.875 105.8 51.2 -59.1 -37.2 -9.3 56.7 24.9 109 137 A K H X S+ 0 0 30 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.906 110.2 50.4 -66.2 -38.1 -8.7 55.1 28.4 110 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.937 110.9 48.1 -60.9 -48.6 -5.3 56.9 28.4 111 139 A I H ><>S+ 0 0 2 -4,-2.9 5,-2.9 1,-0.2 3,-0.7 0.910 111.9 49.9 -59.8 -44.1 -6.9 60.2 27.5 112 140 A A H ><5S+ 0 0 68 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.869 105.0 56.7 -62.8 -37.9 -9.5 59.7 30.2 113 141 A Q H 3<5S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.729 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