==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACTING ON CYCLIC AMIDES) 23-SEP-93 1BLP . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR O.HERZBERG . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 70.0 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 . 40 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 0 0 0 1 0 1 4 2 0 0 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 . 1 1 1 1 0 0 1 2 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 . 1 1 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 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 31 A K 0 0 99 0, 0.0 5,-0.1 0, 0.0 248,-0.0 0.000 360.0 360.0 360.0 137.6 30.6 -12.8 -22.2 2 32 A E > - 0 0 134 1,-0.1 4,-1.1 3,-0.0 247,-0.1 -0.301 360.0-131.4 -55.5 147.6 30.8 -16.1 -20.2 3 33 A L H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.822 108.8 59.4 -71.8 -31.3 27.6 -16.7 -18.3 4 34 A N H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.886 101.2 52.5 -61.7 -46.5 29.8 -17.4 -15.3 5 35 A D H > S+ 0 0 69 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.821 108.4 52.1 -62.3 -32.1 31.3 -13.9 -15.5 6 36 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.780 108.4 48.7 -74.2 -32.7 27.8 -12.5 -15.4 7 37 A E H X>S+ 0 0 40 -4,-1.5 5,-1.5 -3,-0.2 4,-0.8 0.867 116.7 45.9 -69.2 -34.3 26.9 -14.5 -12.3 8 38 A K H <5S+ 0 0 167 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.917 112.4 47.8 -73.1 -45.5 30.2 -13.2 -10.9 9 39 A K H <5S+ 0 0 113 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.868 124.7 30.4 -66.2 -41.7 29.7 -9.5 -12.0 10 40 A Y H <5S- 0 0 31 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.432 99.4-130.6 -98.3 -3.3 26.1 -9.3 -10.7 11 41 A N T <5 + 0 0 101 -4,-0.8 221,-0.3 1,-0.2 2,-0.3 0.977 68.4 120.4 47.8 56.5 26.5 -11.8 -7.8 12 42 A A < - 0 0 6 -5,-1.5 2,-0.5 -6,-0.1 219,-0.2 -0.923 67.3-108.5-142.5 166.9 23.4 -13.6 -9.0 13 43 A H E -A 230 0A 47 217,-4.1 217,-2.0 -2,-0.3 2,-0.5 -0.910 31.1-159.0-106.0 131.0 22.1 -17.0 -10.3 14 44 A I E -A 229 0A 0 -2,-0.5 2,-0.5 215,-0.2 215,-0.2 -0.955 10.8-171.4-113.2 132.0 21.3 -17.3 -14.0 15 45 A G E +A 228 0A 0 213,-3.8 213,-2.9 -2,-0.5 2,-0.4 -0.981 17.8 179.7-118.9 116.2 19.0 -19.9 -15.7 16 46 A V E +AB 227 29A 0 13,-3.4 13,-2.7 -2,-0.5 2,-0.3 -0.986 17.3 168.9-119.5 142.2 19.0 -19.9 -19.5 17 47 A Y E +AB 226 28A 2 209,-1.9 209,-1.5 -2,-0.4 2,-0.4 -0.949 8.8 173.9-149.1 114.9 17.3 -21.8 -22.2 18 48 A A E -AB 225 27A 0 9,-3.1 9,-2.4 -2,-0.3 2,-0.4 -0.990 7.0-175.2-123.5 143.1 17.3 -20.8 -25.9 19 49 A L E -AB 224 26A 18 205,-1.8 205,-2.7 -2,-0.4 2,-0.8 -0.986 18.9-148.7-135.6 113.0 16.0 -22.7 -28.9 20 50 A D E > -A 223 0A 16 5,-2.6 4,-2.4 -2,-0.4 5,-0.3 -0.770 16.7-155.4 -79.3 109.6 16.4 -21.5 -32.4 21 51 A T T 4 S+ 0 0 35 201,-2.4 -1,-0.1 -2,-0.8 202,-0.1 0.573 84.8 55.9 -66.7 -13.1 13.2 -23.0 -33.8 22 52 A K T 4 S+ 0 0 132 199,-0.2 -1,-0.2 200,-0.2 201,-0.1 0.927 124.0 18.8 -80.1 -54.5 14.5 -23.1 -37.4 23 53 A S T 4 S- 0 0 81 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.606 96.8-125.7 -90.6 -25.5 17.7 -25.2 -36.9 24 54 A G < + 0 0 43 -4,-2.4 -3,-0.2 1,-0.3 2,-0.1 0.489 54.2 155.7 85.5 0.9 16.8 -26.7 -33.5 25 55 A K - 0 0 89 -5,-0.3 -5,-2.6 -6,-0.0 2,-0.4 -0.406 26.0-155.7 -61.2 138.5 20.1 -25.4 -31.9 26 56 A E E -B 19 0A 76 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.948 17.4-163.8-125.0 140.4 20.0 -25.0 -28.1 27 57 A V E +B 18 0A 23 -9,-2.4 -9,-3.1 -2,-0.4 2,-0.3 -0.991 21.9 178.9-123.7 128.6 21.8 -22.9 -25.6 28 59 A K E +B 17 0A 111 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.995 17.1 163.8-135.8 144.4 21.5 -24.0 -22.0 29 60 A F E S-B 16 0A 36 -13,-2.7 -13,-3.4 -2,-0.3 4,-0.1 -0.818 85.1 -12.0-162.8 111.7 22.9 -22.8 -18.6 30 61 A N S > S+ 0 0 62 -2,-0.3 3,-1.8 -15,-0.2 -13,-0.1 0.762 88.2 156.4 61.1 30.6 21.4 -23.9 -15.3 31 62 A S T 3 + 0 0 14 1,-0.3 117,-2.4 -15,-0.2 118,-0.4 0.700 66.4 42.4 -65.9 -22.2 18.6 -25.2 -17.5 32 63 A D T 3 S+ 0 0 134 115,-0.2 2,-0.3 114,-0.1 -1,-0.3 0.153 91.1 110.3-107.2 8.7 17.3 -27.8 -15.1 33 64 A K < - 0 0 72 -3,-1.8 2,-0.4 -4,-0.1 115,-0.1 -0.662 69.3-123.0 -82.6 140.3 17.6 -25.5 -12.1 34 65 A R + 0 0 76 -2,-0.3 2,-0.3 112,-0.2 112,-0.2 -0.765 34.5 167.0 -88.1 139.7 14.3 -24.3 -10.6 35 66 A F E -E 145 0B 1 110,-2.2 110,-1.8 -2,-0.4 195,-0.1 -0.929 47.8 -85.4-141.2 161.5 13.3 -20.6 -10.2 36 67 A A E -E 144 0B 0 -2,-0.3 108,-0.3 108,-0.2 107,-0.1 -0.470 38.0-173.1 -62.4 141.5 10.0 -18.7 -9.4 37 68 A Y > + 0 0 7 106,-1.6 3,-1.5 91,-0.1 2,-0.2 0.809 30.0 146.4-103.8 -39.8 8.2 -18.3 -12.8 38 69 A A G > + 0 0 0 105,-0.4 3,-1.3 1,-0.3 96,-0.1 -0.271 63.4 15.1 58.0-111.8 5.5 -16.2 -11.4 39 70 A S G > S+ 0 0 15 162,-0.5 3,-1.7 1,-0.3 4,-0.3 0.663 111.2 73.8 -76.5 -17.8 4.1 -13.5 -13.6 40 71 A T G X> S+ 0 0 0 -3,-1.5 3,-1.2 1,-0.3 4,-0.7 0.787 80.7 80.1 -65.6 -17.1 5.6 -14.9 -16.8 41 72 A S H <> S+ 0 0 7 -3,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.715 73.9 76.7 -57.4 -26.6 2.7 -17.4 -16.2 42 73 A K H <> S+ 0 0 4 -3,-1.7 4,-2.4 1,-0.2 5,-0.3 0.894 89.4 52.7 -51.7 -48.5 0.3 -14.8 -17.7 43 74 A A H <> S+ 0 0 0 -3,-1.2 4,-1.8 -4,-0.3 -1,-0.2 0.906 108.7 52.2 -59.1 -37.0 1.4 -15.6 -21.3 44 75 A I H X S+ 0 0 9 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.973 111.6 43.5 -62.8 -56.0 0.7 -19.3 -20.7 45 76 A N H X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.768 113.9 49.7 -57.2 -44.0 -2.8 -18.8 -19.4 46 77 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.841 110.4 53.3 -62.8 -36.8 -3.7 -16.3 -22.1 47 78 A A H X S+ 0 0 0 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.939 106.2 51.4 -59.9 -43.6 -2.3 -18.8 -24.6 48 79 A I H >X S+ 0 0 3 -4,-2.4 4,-0.8 1,-0.3 3,-0.6 0.882 108.4 52.1 -61.3 -42.4 -4.5 -21.6 -23.3 49 80 A L H >X S+ 0 0 2 -4,-1.7 3,-1.2 1,-0.3 4,-0.6 0.909 103.5 57.1 -64.9 -37.2 -7.6 -19.4 -23.6 50 81 A L H 3< S+ 0 0 4 -4,-2.1 114,-0.3 1,-0.3 -1,-0.3 0.731 97.2 64.4 -64.1 -23.8 -6.8 -18.6 -27.2 51 82 A E H << S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.780 111.3 35.3 -69.8 -23.9 -6.8 -22.4 -27.9 52 83 A Q H << S+ 0 0 111 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.372 110.9 64.5-110.3 -5.3 -10.5 -22.5 -27.1 53 84 A V S < S- 0 0 23 -4,-0.6 -1,-0.2 -3,-0.2 2,-0.1 -0.948 73.8-138.9-128.1 114.9 -11.8 -19.2 -28.4 54 87 A P > - 0 0 51 0, 0.0 3,-3.3 0, 0.0 4,-0.3 -0.357 29.3-114.3 -65.4 142.0 -11.7 -18.3 -32.0 55 88 A Y G > S+ 0 0 94 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.834 117.2 62.4 -44.2 -44.5 -10.6 -14.7 -32.6 56 89 A N G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.542 103.4 52.6 -64.0 -13.6 -14.1 -13.9 -34.0 57 90 A K G X S+ 0 0 96 -3,-3.3 3,-2.4 1,-0.1 -1,-0.3 0.445 75.7 97.5-108.5 6.1 -15.4 -14.8 -30.5 58 91 A L T < S+ 0 0 2 -3,-1.7 29,-2.2 1,-0.3 28,-0.6 0.681 71.4 72.4 -64.2 -17.6 -13.1 -12.6 -28.4 59 92 A N T 3 + 0 0 119 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.484 69.4 118.0 -78.1 -5.5 -15.9 -10.0 -28.2 60 93 A K < - 0 0 106 -3,-2.4 26,-2.6 25,-0.1 2,-0.3 -0.340 59.2-137.4 -61.7 144.9 -17.9 -12.3 -25.8 61 94 A K E -G 85 0C 132 24,-0.3 2,-0.3 25,-0.1 24,-0.3 -0.761 17.7-165.9-107.2 148.4 -18.4 -10.6 -22.4 62 95 A V E -G 84 0C 13 22,-2.9 22,-2.1 -2,-0.3 2,-0.3 -0.935 27.7-110.3-129.2 149.8 -18.2 -11.7 -18.8 63 96 A H E -G 83 0C 95 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.526 21.9-151.9 -85.9 142.1 -19.4 -9.9 -15.7 64 97 A I + 0 0 0 18,-2.8 17,-2.3 15,-0.3 18,-0.5 -0.954 18.8 173.3-112.1 122.1 -17.2 -8.4 -13.1 65 98 A N > - 0 0 70 -2,-0.5 3,-2.0 15,-0.2 4,-0.4 -0.812 49.3 -94.8-117.1 171.3 -18.3 -8.1 -9.5 66 99 A K G > S+ 0 0 136 1,-0.3 3,-0.8 -2,-0.3 14,-0.1 0.684 121.6 64.0 -51.3 -35.9 -16.6 -7.0 -6.3 67 100 A D G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.754 97.0 59.6 -69.4 -19.7 -15.8 -10.6 -5.5 68 101 A D G < S+ 0 0 18 -3,-2.0 2,-0.3 2,-0.0 -1,-0.2 0.675 79.5 107.2 -73.9 -27.9 -13.6 -10.7 -8.6 69 102 A I < + 0 0 44 -3,-0.8 2,-0.3 -4,-0.4 3,-0.1 -0.426 42.1 177.9 -67.1 128.5 -11.2 -7.9 -7.6 70 103 A V - 0 0 44 -2,-0.3 30,-0.5 1,-0.1 29,-0.2 -0.925 41.6 -79.9-124.2 155.8 -7.6 -8.8 -6.6 71 104 A A S S+ 0 0 90 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 0.003 111.7 31.2 -47.8 154.4 -4.7 -6.5 -5.6 72 105 A Y S S+ 0 0 156 1,-0.1 27,-2.3 27,-0.1 -1,-0.2 0.903 71.6 143.6 48.1 65.9 -2.9 -4.8 -8.5 73 106 A S > + 0 0 5 25,-0.2 4,-2.3 26,-0.2 5,-0.2 -0.651 14.8 168.3-127.6 65.1 -5.8 -4.6 -11.0 74 107 A P T 4 S+ 0 0 29 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.794 80.5 26.7 -49.7 -40.0 -5.0 -1.2 -12.7 75 108 A I T >4 S+ 0 0 52 -3,-0.1 3,-1.6 2,-0.1 4,-0.1 0.905 120.4 50.4 -89.8 -58.7 -7.6 -1.8 -15.4 76 109 A L G >4 S+ 0 0 0 1,-0.3 3,-2.7 2,-0.2 4,-0.2 0.645 90.0 76.8 -56.9 -32.6 -10.2 -4.1 -13.9 77 110 A E G >< S+ 0 0 96 -4,-2.3 3,-1.2 1,-0.3 -1,-0.3 0.881 94.9 54.9 -51.5 -29.3 -10.8 -2.1 -10.7 78 111 A K G < S+ 0 0 140 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.499 94.9 68.8 -79.9 -6.4 -12.8 0.2 -12.9 79 112 A Y G X + 0 0 68 -3,-2.7 3,-2.7 -4,-0.1 -15,-0.3 0.439 62.9 140.7 -93.8 1.4 -15.0 -2.7 -14.2 80 113 A V T < S+ 0 0 64 -3,-1.2 -15,-0.2 1,-0.3 3,-0.1 -0.307 80.0 6.3 -47.7 127.8 -16.9 -3.3 -11.0 81 114 A G T 3 S+ 0 0 51 -17,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.524 117.0 96.4 71.1 12.8 -20.5 -4.1 -11.8 82 115 A K S < S- 0 0 115 -3,-2.7 -18,-2.8 -18,-0.5 2,-0.4 -0.719 73.0-108.7-122.4 176.2 -19.9 -4.0 -15.6 83 116 A D E -G 63 0C 82 -2,-0.2 2,-0.3 -20,-0.2 -20,-0.2 -0.822 29.2-171.7-105.8 138.2 -19.2 -6.5 -18.4 84 117 A I E -G 62 0C 3 -22,-2.1 -22,-2.9 -2,-0.4 2,-0.3 -0.929 22.8-113.2-127.6 157.6 -15.8 -6.7 -20.2 85 118 A T E > -G 61 0C 37 -2,-0.3 4,-2.3 -24,-0.3 3,-0.3 -0.636 21.0-119.7 -89.6 159.2 -14.8 -8.6 -23.3 86 119 A L H > S+ 0 0 4 -26,-2.6 4,-2.0 -28,-0.6 -27,-0.2 0.886 115.6 56.1 -64.2 -38.3 -12.4 -11.6 -23.4 87 120 A K H > S+ 0 0 59 -29,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.874 107.1 46.2 -63.0 -43.2 -10.2 -9.5 -25.7 88 121 A A H > S+ 0 0 17 -3,-0.3 4,-2.7 -30,-0.3 5,-0.3 0.823 109.7 56.3 -68.5 -36.0 -9.9 -6.7 -23.2 89 122 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.864 107.2 48.7 -60.9 -39.8 -9.2 -9.3 -20.4 90 123 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.925 113.9 48.0 -64.1 -45.7 -6.3 -10.6 -22.5 91 124 A E H X>S+ 0 0 73 -4,-1.8 4,-3.1 2,-0.2 5,-0.5 0.889 109.0 49.4 -56.9 -49.2 -4.9 -7.1 -23.0 92 125 A A H X5S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 6,-1.9 0.930 116.0 45.7 -62.4 -41.3 -5.1 -5.9 -19.4 93 126 A S H X5S+ 0 0 0 -4,-1.5 4,-0.5 4,-0.3 -2,-0.2 0.934 120.2 36.4 -66.0 -51.0 -3.3 -9.0 -18.2 94 127 A M H <5S+ 0 0 4 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.862 128.6 31.6 -76.2 -41.0 -0.6 -9.0 -20.9 95 128 A T H <5S+ 0 0 44 -4,-3.1 85,-0.3 -5,-0.2 -3,-0.2 0.746 136.8 22.3 -86.6 -33.1 0.0 -5.2 -21.2 96 129 A Y H < - 0 0 0 -6,-1.9 4,-1.7 1,-0.1 -25,-0.2 -0.518 16.4-154.6 -70.0 125.3 -3.6 -7.0 -14.3 99 132 A N H > S+ 0 0 43 -27,-2.3 4,-2.2 -2,-0.3 -26,-0.2 0.872 93.3 45.8 -67.9 -46.4 -4.2 -9.5 -11.5 100 133 A T H > S+ 0 0 0 -30,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.760 111.9 55.0 -62.5 -41.5 -8.0 -9.7 -11.6 101 134 A A H > S+ 0 0 0 2,-0.2 4,-1.7 3,-0.1 -2,-0.2 0.910 108.2 47.3 -63.1 -43.0 -7.7 -10.0 -15.4 102 135 A N H X S+ 0 0 5 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.905 111.8 51.5 -63.0 -46.6 -5.4 -13.0 -15.1 103 136 A N H X S+ 0 0 61 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.799 108.4 50.6 -59.7 -41.1 -7.7 -14.6 -12.5 104 137 A K H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.870 108.5 53.5 -66.0 -38.3 -10.7 -14.2 -14.8 105 138 A I H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.946 108.4 48.9 -56.6 -52.6 -8.8 -15.8 -17.6 106 139 A I H >X>S+ 0 0 22 -4,-2.1 5,-2.9 1,-0.2 4,-1.1 0.874 110.9 49.4 -54.5 -47.1 -8.0 -18.9 -15.5 107 140 A K H 3<5S+ 0 0 115 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.875 109.0 54.2 -57.4 -42.8 -11.5 -19.3 -14.4 108 141 A E H 3<5S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 106.5 50.9 -63.6 -29.3 -12.7 -19.0 -17.9 109 142 A I H <<5S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.715 132.5 -92.7 -81.1 -30.3 -10.4 -21.8 -19.0 110 143 A G T <5 - 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0 0 43 -114,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.293 29.9-107.3 -74.6 166.8 -5.0 -19.7 -35.3 165 201 A K H > S+ 0 0 103 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 122.5 48.4 -66.8 -41.6 -3.0 -17.1 -37.3 166 202 A E H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.872 113.6 44.5 -62.3 -46.8 -5.3 -14.4 -35.8 167 203 A N H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 115.0 49.2 -67.0 -39.0 -5.0 -15.6 -32.2 168 204 A K H X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.917 113.7 47.1 -69.1 -43.5 -1.2 -16.1 -32.6 169 205 A K H X S+ 0 0 115 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.937 109.0 53.6 -60.5 -48.2 -1.0 -12.6 -34.1 170 206 A F H X S+ 0 0 16 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.969 114.7 40.2 -50.8 -57.1 -3.1 -11.0 -31.4 171 207 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.891 114.8 51.0 -64.1 -46.7 -1.0 -12.4 -28.6 172 208 A L H X S+ 0 0 20 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.3 0.852 106.4 56.8 -60.8 -37.6 2.3 -11.8 -30.3 173 209 A D H X S+ 0 0 91 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.942 107.0 48.3 -59.6 -45.9 1.3 -8.2 -31.0 174 210 A L H < S+ 0 0 13 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.831 112.6 46.7 -58.0 -47.2 0.7 -7.5 -27.3 175 211 A M H >< S+ 0 0 2 -4,-1.6 22,-1.6 2,-0.2 3,-0.8 0.883 113.2 52.6 -69.0 -37.0 4.2 -9.1 -26.2 176 212 A L H 3< S+ 0 0 56 -4,-2.5 -2,-0.2 20,-0.3 19,-0.2 0.921 113.1 41.7 -55.9 -52.8 5.8 -7.0 -29.1 177 213 A N T 3< S+ 0 0 102 -4,-2.7 2,-0.6 -5,-0.1 -1,-0.2 0.271 82.4 123.5 -86.8 11.2 4.3 -3.7 -27.9 178 214 A N X - 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