==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 15-MAR-09 3GMW . COMPND 2 MOLECULE: B-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA SP. SFLU5; . AUTHOR D.C.LIM,M.GRETES,N.C.J.STRYNADKA . 832 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 67.9 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 . 175 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 2 2 2 2 1 3 2 4 2 2 0 0 2 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 . 2 5 4 4 0 4 6 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 0 0 0 0 2 1 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 E > 0 0 65 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 99.4 2.9 16.8 17.6 2 29 A T H > + 0 0 0 1,-0.3 4,-3.9 2,-0.2 5,-0.2 0.679 360.0 41.2 -61.5 -51.6 1.4 13.8 15.9 3 30 A L H > S+ 0 0 0 417,-0.3 4,-3.1 2,-0.2 418,-0.4 0.921 117.8 52.2 -64.4 -39.5 -1.9 12.7 17.6 4 31 A V H > S+ 0 0 32 416,-0.5 4,-3.3 -3,-0.5 -2,-0.2 0.960 113.6 43.5 -49.9 -57.7 -2.8 16.3 18.0 5 32 A K H X S+ 0 0 26 -4,-1.8 4,-3.8 2,-0.2 5,-0.3 0.930 110.8 53.8 -56.0 -52.5 -2.2 16.9 14.2 6 33 A V H X S+ 0 0 0 -4,-3.9 4,-1.8 2,-0.2 -1,-0.2 0.951 112.8 44.5 -49.0 -52.8 -3.9 13.6 13.3 7 34 A K H X S+ 0 0 2 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.909 113.2 51.6 -58.1 -45.0 -7.0 15.0 15.3 8 35 A D H X S+ 0 0 54 -4,-3.3 4,-1.5 1,-0.2 3,-0.2 0.924 108.0 51.9 -50.2 -53.5 -6.5 18.4 13.7 9 36 A A H X S+ 0 0 1 -4,-3.8 4,-2.2 1,-0.2 5,-0.3 0.854 101.7 62.5 -55.2 -40.2 -6.5 16.8 10.2 10 37 A E H X>S+ 0 0 15 -4,-1.8 5,-1.5 -5,-0.3 4,-1.5 0.926 110.3 35.4 -54.2 -52.8 -9.7 15.0 10.9 11 38 A D H <5S+ 0 0 98 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.684 113.9 59.0 -82.4 -15.2 -11.9 18.1 11.4 12 39 A Q H <5S+ 0 0 103 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.826 117.3 32.7 -76.1 -30.6 -10.0 20.0 8.7 13 40 A L H <5S- 0 0 12 -4,-2.2 227,-0.9 2,-0.2 228,-0.6 0.717 99.3-136.2 -89.8 -21.6 -11.0 17.3 6.2 14 41 A G T <5S+ 0 0 60 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.915 70.6 104.6 57.9 41.9 -14.3 16.6 7.8 15 42 A A S -A 230 0A 39 5,-3.2 4,-2.0 -2,-0.4 207,-0.3 -0.693 25.1-144.4 -70.0 126.1 8.4 -0.1 15.5 24 51 A L T 4 S+ 0 0 12 205,-3.0 206,-0.2 -2,-0.5 -1,-0.1 0.882 91.0 39.7 -65.6 -40.0 9.7 -2.2 12.6 25 52 A N T 4 S+ 0 0 96 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.990 125.0 29.5 -75.9 -60.1 12.0 -4.4 14.7 26 53 A S T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.796 92.3-128.9 -74.5 -27.5 10.0 -5.2 17.8 27 54 A G < + 0 0 24 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.429 57.1 148.5 85.8 -1.6 6.5 -4.9 16.5 28 55 A K - 0 0 80 -6,-0.1 -5,-3.2 -5,-0.1 2,-0.4 -0.486 48.1-126.9 -71.9 136.4 5.6 -2.5 19.3 29 56 A I E -B 22 0A 27 -7,-0.2 424,-0.7 -2,-0.2 -7,-0.3 -0.718 20.4-170.4 -82.6 130.9 3.0 0.1 18.5 30 57 A L E - 0 0 38 -9,-3.1 421,-3.0 1,-0.4 2,-0.3 0.770 65.2 -22.4 -92.2 -38.1 4.1 3.7 19.3 31 58 A E E -BC 21 450A 11 -10,-1.0 -10,-2.3 419,-0.2 -1,-0.4 -0.937 62.1-178.5-166.3 164.2 0.9 5.5 18.8 32 59 A S E -BC 20 449A 2 417,-1.9 417,-2.3 -2,-0.3 2,-0.3 -0.988 17.3-159.3-165.8 161.2 -2.4 5.2 17.1 33 60 A F E S-BC 19 448A 9 -14,-2.5 -14,-2.2 -2,-0.3 415,-0.2 -0.957 86.6 -15.5-152.9 120.5 -5.7 6.8 16.3 34 61 A R S > S+ 0 0 71 413,-2.9 3,-1.9 -2,-0.3 414,-0.1 0.842 77.5 167.0 42.3 48.4 -8.7 4.7 15.1 35 62 A P T 3 S+ 0 0 2 0, 0.0 122,-2.3 0, 0.0 123,-0.4 0.687 71.1 46.6 -58.6 -23.2 -6.2 1.8 14.4 36 63 A E T 3 S+ 0 0 48 410,-0.6 2,-0.3 120,-0.2 -2,-0.1 0.077 82.8 102.2-116.0 25.5 -9.1 -0.5 14.1 37 64 A E S < S- 0 0 55 -3,-1.9 2,-0.3 410,-0.1 117,-0.1 -0.742 74.5-113.6 -92.0 160.9 -11.6 1.3 11.9 38 65 A R + 0 0 68 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.694 35.0 178.8 -99.8 149.7 -11.7 0.1 8.3 39 66 A F E -J 154 0B 1 115,-2.2 115,-2.3 -2,-0.3 2,-0.1 -0.977 38.8 -91.2-143.9 147.1 -10.6 2.1 5.3 40 67 A P E -J 153 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.427 30.3-149.2 -49.7 127.5 -10.4 1.6 1.5 41 68 A M > + 0 0 1 111,-2.3 3,-1.7 101,-0.2 4,-0.1 0.810 28.0 175.1 -66.0 -35.6 -6.8 0.3 0.7 42 69 A M G > S- 0 0 1 110,-0.5 3,-2.0 100,-0.4 4,-0.2 -0.261 70.0 -16.5 51.2-148.1 -6.7 1.9 -2.8 43 70 A S G > S+ 0 0 0 167,-0.3 3,-1.5 1,-0.3 4,-0.4 0.584 123.0 83.1 -66.7 -7.2 -3.3 1.4 -4.4 44 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.7 0.840 79.1 68.5 -63.7 -25.2 -1.7 0.5 -1.1 45 72 A F H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 3,-0.3 0.753 80.8 77.7 -63.1 -24.7 -3.0 -3.0 -1.7 46 73 A K H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.852 89.4 54.7 -54.5 -34.8 -0.5 -3.4 -4.6 47 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.9 -4,-0.4 -1,-0.2 0.919 110.0 45.8 -66.6 -40.7 2.4 -3.9 -2.1 48 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.4 -3,-0.3 5,-0.2 0.919 110.3 55.6 -67.0 -41.2 0.4 -6.9 -0.5 49 76 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.947 108.5 46.3 -51.3 -53.4 -0.4 -8.2 -3.9 50 77 A a H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.803 107.5 56.4 -69.3 -27.0 3.3 -8.3 -4.8 51 78 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.894 106.5 50.8 -62.0 -41.7 4.2 -10.0 -1.5 52 79 A A H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.919 111.0 51.1 -62.8 -40.1 1.8 -12.8 -2.4 53 80 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 3,-0.4 0.956 109.5 46.4 -57.2 -52.8 3.6 -12.9 -5.7 54 81 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.822 107.1 60.7 -59.3 -30.6 7.1 -13.2 -4.2 55 82 A S H X S+ 0 0 33 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.903 106.6 44.8 -67.8 -40.2 5.7 -15.8 -1.9 56 83 A R H <>S+ 0 0 63 -4,-1.6 5,-2.8 -3,-0.4 6,-0.8 0.855 111.9 52.8 -71.7 -35.3 4.8 -18.0 -4.9 57 84 A V H ><5S+ 0 0 33 -4,-2.4 3,-2.4 4,-0.2 5,-0.2 0.965 107.9 51.2 -55.7 -54.3 8.2 -17.2 -6.4 58 85 A D H 3<5S+ 0 0 52 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.869 109.7 51.2 -51.7 -39.6 9.8 -18.4 -3.1 59 86 A A T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.313 116.5-113.2 -84.5 8.0 7.8 -21.6 -3.3 60 87 A G T < 5S+ 0 0 60 -3,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.680 90.1 113.0 66.6 18.0 8.8 -22.3 -6.9 61 88 A Q S - 0 0 102 -2,-0.3 3,-1.7 1,-0.1 29,-0.4 -0.985 9.8-148.7-117.3 135.0 9.0 -17.0 -11.9 64 91 A L T 3 S+ 0 0 28 -2,-0.4 29,-2.4 1,-0.3 30,-0.4 0.778 103.6 55.6 -66.8 -24.9 9.8 -13.3 -11.8 65 92 A G T 3 S+ 0 0 48 27,-0.2 -1,-0.3 26,-0.2 2,-0.3 0.420 78.5 121.3 -84.0 0.9 11.2 -13.8 -15.4 66 93 A R < - 0 0 89 -3,-1.7 26,-1.8 1,-0.1 2,-0.4 -0.524 58.7-138.4 -72.2 133.9 8.0 -15.2 -16.6 67 94 A R E -K 91 0C 119 -2,-0.3 2,-0.6 24,-0.2 24,-0.3 -0.760 13.0-160.3 -99.2 135.0 6.6 -13.1 -19.5 68 95 A I E -K 90 0C 24 22,-3.3 22,-2.2 -2,-0.4 2,-0.5 -0.958 2.0-158.7-119.5 121.1 3.0 -12.3 -19.7 69 96 A H + 0 0 120 -2,-0.6 2,-0.2 20,-0.2 17,-0.1 -0.845 20.6 171.7 -95.5 130.8 1.5 -11.3 -23.0 70 97 A Y - 0 0 14 -2,-0.5 2,-0.2 15,-0.3 19,-0.1 -0.803 16.2-138.4-134.6 176.8 -1.8 -9.3 -22.6 71 98 A S >> - 0 0 59 -2,-0.2 3,-2.5 1,-0.0 4,-0.5 -0.694 36.5 -78.8-139.3-177.2 -4.0 -7.4 -25.0 72 99 A Q G >4 S+ 0 0 52 1,-0.3 3,-1.8 -2,-0.2 -1,-0.0 0.873 120.2 60.4 -59.2 -36.9 -6.1 -4.3 -25.4 73 100 A N G 34 S+ 0 0 127 1,-0.3 -1,-0.3 338,-0.0 -3,-0.0 0.663 96.7 61.8 -67.7 -12.2 -9.1 -5.7 -23.5 74 101 A D G <4 S+ 0 0 61 -3,-2.5 -1,-0.3 2,-0.0 2,-0.2 0.704 81.8 102.0 -82.3 -11.5 -6.9 -6.1 -20.4 75 102 A L << + 0 0 27 -3,-1.8 2,-0.2 -4,-0.5 4,-0.1 -0.481 48.5 175.6 -79.1 130.3 -6.2 -2.4 -20.1 76 103 A V - 0 0 30 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.623 46.0 -47.6-119.3-178.8 -8.2 -0.4 -17.6 77 104 A E S S+ 0 0 15 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.309 119.6 20.7 -46.0 127.9 -8.1 3.2 -16.3 78 105 A Y + 0 0 0 1,-0.1 27,-2.6 27,-0.1 28,-0.5 0.993 66.3 152.2 72.1 77.9 -4.5 4.4 -15.6 79 106 A S > + 0 0 3 25,-0.2 4,-1.7 26,-0.2 5,-0.3 -0.544 3.5 156.6-129.8 58.7 -2.1 2.2 -17.4 80 107 A P T 4 S+ 0 0 0 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.834 81.3 24.9 -62.8 -30.7 0.9 4.5 -18.0 81 108 A V T >4 S+ 0 0 2 2,-0.1 3,-0.8 -3,-0.1 4,-0.3 0.829 119.8 54.1 -98.6 -41.3 3.5 1.6 -18.4 82 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.848 96.4 65.3 -70.2 -27.4 1.3 -1.3 -19.5 83 110 A E G >< S+ 0 0 42 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.891 100.6 56.0 -58.3 -34.2 -0.2 0.5 -22.5 84 111 A K G < S+ 0 0 54 -3,-0.8 -1,-0.3 -5,-0.3 4,-0.2 0.535 103.0 52.1 -75.9 -9.2 3.3 0.6 -23.9 85 112 A H G <> + 0 0 14 -3,-1.8 4,-2.1 -4,-0.3 -15,-0.3 -0.001 65.0 118.6-118.7 34.1 3.9 -3.2 -23.8 86 113 A L T <4 S+ 0 0 44 -3,-0.9 -16,-0.2 1,-0.2 -1,-0.1 0.885 85.2 38.1 -63.1 -34.1 0.9 -4.6 -25.6 87 114 A T T 4 S+ 0 0 127 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.908 125.2 31.4 -86.7 -46.6 3.1 -6.0 -28.2 88 115 A D T 4 S- 0 0 72 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.589 96.6-140.4 -94.8 -8.2 6.1 -7.3 -26.4 89 116 A G < - 0 0 0 -4,-2.1 2,-0.3 -19,-0.1 -20,-0.2 -0.165 14.1-102.6 79.8 179.0 4.5 -8.3 -23.0 90 117 A M E -K 68 0C 0 -22,-2.2 -22,-3.3 -4,-0.1 2,-0.1 -0.988 21.9-121.2-143.7 146.9 5.9 -7.8 -19.5 91 118 A T E > -K 67 0C 13 -2,-0.3 4,-2.1 -24,-0.3 -24,-0.2 -0.421 34.0-106.5 -80.0 164.2 7.6 -10.1 -17.0 92 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.5 -29,-0.4 5,-0.2 0.905 122.5 52.4 -55.6 -42.1 6.1 -10.7 -13.5 93 120 A R H > S+ 0 0 104 -29,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.956 108.6 47.9 -62.8 -52.5 8.9 -8.6 -12.1 94 121 A E H > S+ 0 0 53 -30,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.845 110.3 55.7 -49.2 -37.2 8.3 -5.7 -14.5 95 122 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.955 107.8 46.2 -67.1 -45.9 4.6 -6.0 -13.5 96 123 A a H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.935 111.9 52.2 -62.7 -43.7 5.3 -5.6 -9.8 97 124 A S H X>S+ 0 0 27 -4,-2.5 4,-2.5 -5,-0.2 5,-0.5 0.912 113.0 44.2 -55.2 -44.6 7.6 -2.7 -10.5 98 125 A A H X5S+ 0 0 0 -4,-2.2 6,-2.1 -5,-0.2 4,-1.3 0.908 114.0 49.7 -69.1 -43.4 4.9 -0.9 -12.6 99 126 A A H <5S+ 0 0 0 -4,-3.0 4,-0.5 4,-0.2 -2,-0.2 0.919 121.1 33.2 -60.1 -45.8 2.1 -1.6 -10.1 100 127 A I H <5S+ 0 0 0 -4,-2.7 88,-0.2 -5,-0.2 -2,-0.2 0.931 125.3 35.9 -81.8 -47.5 4.1 -0.4 -7.1 101 128 A T H <5S+ 0 0 7 -4,-2.5 87,-1.7 -5,-0.4 88,-0.7 0.819 135.6 20.7 -82.6 -31.8 6.2 2.5 -8.4 102 129 A M S < - 0 0 0 -6,-2.1 4,-1.5 1,-0.2 -25,-0.2 -0.467 14.5-156.8 -61.8 114.5 -0.4 1.0 -13.0 105 132 A N H > S+ 0 0 0 -27,-2.6 4,-2.3 -2,-0.5 34,-0.3 0.889 90.0 49.7 -58.5 -45.9 -3.9 -0.5 -12.7 106 133 A T H > S+ 0 0 0 -28,-0.5 4,-2.8 -30,-0.3 5,-0.3 0.911 107.4 55.7 -64.0 -37.6 -3.6 -3.0 -15.5 107 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 107.3 49.6 -59.9 -43.0 -0.4 -4.2 -14.1 108 135 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.901 111.7 47.9 -63.2 -44.7 -2.1 -4.9 -10.8 109 136 A N H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 110.1 51.5 -61.2 -44.4 -5.0 -6.8 -12.5 110 137 A L H X S+ 0 0 14 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.890 112.3 47.4 -56.6 -46.3 -2.6 -8.9 -14.6 111 138 A L H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.871 107.6 54.8 -63.4 -40.3 -0.7 -9.8 -11.3 112 139 A L H X>S+ 0 0 0 -4,-2.2 5,-3.6 1,-0.2 4,-0.7 0.907 105.6 55.2 -62.1 -40.2 -4.1 -10.6 -9.6 113 140 A T H ><5S+ 0 0 96 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.939 101.4 58.1 -53.1 -45.0 -4.7 -13.0 -12.5 114 141 A T H 3<5S+ 0 0 21 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 112.5 38.2 -59.0 -33.9 -1.3 -14.8 -11.8 115 142 A I H 3<5S- 0 0 14 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.447 124.5-100.4 -98.9 -2.0 -2.3 -15.7 -8.2 116 143 A G T <<5 - 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0 0 8 -2,-0.3 4,-2.7 -117,-0.2 5,-0.4 -0.929 28.9-116.6-118.0 149.2 -7.4 -1.4 9.3 156 183 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.887 117.6 45.6 -51.9 -39.3 -4.4 0.7 10.0 157 184 A V H > S+ 0 0 30 -122,-2.3 4,-2.1 2,-0.2 5,-0.3 0.845 111.7 50.8 -73.1 -32.0 -3.1 -1.9 12.5 158 185 A A H > S+ 0 0 12 -123,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.962 114.6 43.4 -72.7 -40.6 -3.8 -4.9 10.2 159 186 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.908 114.2 50.5 -69.3 -38.4 -1.9 -3.2 7.3 160 187 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.2 0.946 114.6 43.4 -63.3 -44.2 1.0 -2.0 9.5 161 188 A T H X S+ 0 0 51 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.904 114.4 49.2 -69.5 -44.9 1.4 -5.5 11.0 162 189 A T H X S+ 0 0 1 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.930 110.7 50.2 -61.4 -41.3 1.1 -7.3 7.7 163 190 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.879 109.9 52.5 -63.5 -37.9 3.6 -4.9 6.1 164 191 A R H X>S+ 0 0 68 -4,-2.0 4,-2.0 -5,-0.2 5,-0.7 0.975 109.3 48.4 -60.7 -54.7 6.0 -5.6 9.0 165 192 A K H X5S+ 0 0 56 -4,-2.6 4,-0.9 1,-0.2 6,-0.5 0.839 113.8 46.5 -52.9 -36.3 5.7 -9.3 8.5 166 193 A L H <5S+ 0 0 0 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.902 116.4 44.4 -73.9 -41.1 6.3 -9.1 4.7 167 194 A L H <5S+ 0 0 14 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.595 134.2 7.3 -83.1 -19.9 9.3 -6.8 5.1 168 195 A T H <5S+ 0 0 62 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.522 101.6 94.4-138.2 -10.6 11.2 -8.4 7.9 169 196 A G S < - 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0 0 152 -2,-0.3 32,-0.1 32,-0.1 58,-0.1 -0.971 35.1 -98.7-126.4 134.9 5.8 16.6 57.3 753 75 D A - 0 0 19 -2,-0.4 30,-0.1 30,-0.2 32,-0.1 -0.299 24.4-140.1 -47.1 135.8 9.1 16.4 59.2 754 76 D K S S+ 0 0 169 30,-0.3 29,-0.2 28,-0.3 -1,-0.2 0.932 96.2 15.9 -63.9 -41.3 10.8 19.8 59.2 755 77 D T S S- 0 0 69 27,-4.0 -1,-0.2 29,-0.1 2,-0.2 -0.685 74.5-154.9-140.4 81.8 14.2 18.1 58.8 756 78 D P + 0 0 38 0, 0.0 52,-0.2 0, 0.0 54,-0.2 -0.414 48.8 125.7 -59.2 120.6 14.1 14.4 57.6 757 79 D S + 0 0 34 50,-0.8 51,-0.2 23,-0.2 2,-0.1 0.281 18.0 144.6-169.0 7.5 17.4 13.2 59.0 758 80 D V - 0 0 1 49,-0.8 2,-0.3 25,-0.2 77,-0.3 -0.440 29.8-161.9 -66.1 134.1 17.0 10.2 61.2 759 81 D K > - 0 0 103 -2,-0.1 4,-1.9 75,-0.1 3,-0.3 -0.773 33.2-117.3-110.0 154.6 19.9 7.7 60.9 760 82 D L H > S+ 0 0 47 75,-2.0 4,-3.1 -2,-0.3 5,-0.2 0.875 118.2 66.1 -58.8 -31.0 20.0 4.0 61.9 761 83 D S H > S+ 0 0 57 74,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.949 101.4 45.8 -48.2 -56.1 22.6 5.3 64.3 762 84 D H H >4 S+ 0 0 43 -3,-0.3 3,-1.6 1,-0.2 -2,-0.2 0.922 112.5 51.4 -48.7 -53.8 19.9 7.3 66.2 763 85 D Y H >< S+ 0 0 22 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.897 101.3 60.5 -58.9 -43.2 17.6 4.3 66.2 764 86 D N H 3< S+ 0 0 105 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.668 100.7 57.4 -59.8 -15.6 20.2 1.9 67.6 765 87 D R T << S+ 0 0 145 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 -0.022 89.8 88.5-107.8 29.5 20.3 4.2 70.7 766 88 D T < + 0 0 5 -3,-1.8 2,-0.3 12,-0.1 63,-0.0 -0.899 52.7 176.3-115.9 152.2 16.6 3.9 71.5 767 89 D A > - 0 0 56 -2,-0.3 3,-2.0 61,-0.1 59,-0.2 -0.981 38.7 -89.6-156.7 144.9 15.2 1.2 73.8 768 90 D L T 3 S+ 0 0 106 -2,-0.3 59,-0.2 1,-0.3 3,-0.1 -0.248 112.6 33.4 -52.3 137.7 11.9 0.2 75.3 769 91 D G T 3 S+ 0 0 51 57,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.287 83.7 128.4 95.0 -9.3 11.5 1.9 78.7 770 92 D M < - 0 0 25 -3,-2.0 56,-3.1 56,-0.1 -1,-0.3 -0.517 62.1-113.5 -78.6 151.9 13.3 5.1 77.8 771 93 D T B > -Z 825 0G 60 54,-0.2 4,-2.7 -2,-0.1 54,-0.2 -0.317 26.0-105.3 -77.1 167.7 11.4 8.3 78.6 772 94 D E H > S+ 0 0 36 52,-1.8 4,-2.3 2,-0.2 5,-0.2 0.882 123.1 51.5 -61.3 -38.9 10.1 10.6 75.9 773 95 D A H > S+ 0 0 76 51,-0.2 4,-1.3 2,-0.2 5,-0.2 0.943 108.4 52.3 -63.8 -44.7 12.9 13.2 76.8 774 96 D Q H >> S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.929 108.7 52.6 -54.3 -43.5 15.4 10.3 76.5 775 97 D L H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.6 0.939 108.2 47.8 -55.6 -50.2 13.9 9.6 73.1 776 98 D W H 3< S+ 0 0 46 -4,-2.3 5,-0.4 1,-0.2 -1,-0.2 0.637 107.5 56.6 -71.8 -10.5 14.3 13.1 71.8 777 99 D A H << S+ 0 0 91 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.709 114.6 40.4 -84.9 -23.5 17.9 13.2 73.1 778 100 D A H << S+ 0 0 19 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.824 120.1 38.7 -90.2 -31.0 18.6 10.2 70.9 779 101 D V S < S- 0 0 2 -4,-2.1 2,-0.4 -5,-0.1 -1,-0.2 -0.954 91.3-108.4-127.3 135.2 16.6 11.0 67.7 780 102 D P > - 0 0 36 0, 0.0 3,-2.4 0, 0.0 -23,-0.2 -0.487 23.8-151.0 -69.9 115.6 16.3 14.5 66.2 781 103 D K G > S+ 0 0 95 -2,-0.4 3,-1.6 -5,-0.4 -27,-0.2 0.772 92.1 67.3 -64.8 -22.9 12.7 15.5 66.9 782 104 D D G 3 S+ 0 0 86 1,-0.3 -27,-4.0 -29,-0.1 -28,-0.3 0.546 93.3 61.6 -68.6 -4.5 12.7 17.7 63.7 783 105 D S G < S+ 0 0 0 -3,-2.4 24,-0.7 -29,-0.2 2,-0.3 0.308 102.8 60.4 -97.8 5.2 12.9 14.6 61.8 784 106 D f E < - A 0 806G 15 -3,-1.6 -30,-0.3 22,-0.2 2,-0.3 -0.896 55.1-166.0-134.1 159.5 9.5 13.2 63.1 785 107 D V E - A 0 805G 18 20,-2.5 20,-2.3 -2,-0.3 2,-0.3 -0.952 33.0-100.0-139.6 158.3 5.8 14.1 63.2 786 108 D S E - A 0 804G 27 -2,-0.3 18,-0.2 18,-0.2 -35,-0.2 -0.665 26.2-178.2 -77.1 134.7 2.9 12.8 65.3 787 109 D Q E - 0 0 35 16,-3.3 -40,-2.3 1,-0.3 2,-0.2 0.268 65.6 -21.3-115.1 4.1 0.6 10.2 63.7 788 110 D G E -YA 746 803G 3 15,-1.0 15,-2.0 -42,-0.3 -1,-0.3 -0.800 41.5-150.7 172.0 170.8 -1.8 9.9 66.7 789 111 D E E +YA 745 802G 70 -44,-2.2 -44,-2.4 -2,-0.2 2,-0.3 -0.981 26.2 172.2-144.8 138.8 -2.7 10.3 70.4 790 112 D S E -YA 744 801G 11 11,-1.9 11,-2.4 -2,-0.3 -46,-0.2 -0.995 33.4-147.6-152.8 157.9 -5.3 8.2 72.3 791 113 D Y > - 0 0 46 -48,-2.7 3,-2.2 -2,-0.3 9,-0.1 -0.841 16.4-177.0-122.5 88.1 -6.7 7.4 75.7 792 114 D P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.638 85.9 47.6 -67.5 -14.9 -7.6 3.7 75.6 793 115 D N T > S- 0 0 89 5,-0.4 3,-2.5 3,-0.3 5,-0.1 0.129 95.6-169.9-106.5 16.2 -9.1 3.9 79.1 794 116 D W T < S+ 0 0 36 -3,-2.2 3,-0.1 1,-0.4 -53,-0.1 -0.208 70.4 35.9 -49.5 133.3 -11.1 7.1 78.5 795 117 D P T 3 S+ 0 0 95 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.967 117.3 63.4 -92.7 4.5 -12.5 8.7 80.6 796 118 D A S < S- 0 0 49 -3,-2.5 -3,-0.3 1,-0.1 0, 0.0 -0.576 75.7-147.4 -77.1 154.7 -9.5 7.7 82.7 797 119 D K > + 0 0 107 -2,-0.2 3,-0.8 -3,-0.1 -1,-0.1 0.370 57.8 115.1-107.8 0.4 -6.3 9.2 81.3 798 120 D T T 3 S+ 0 0 92 1,-0.2 -5,-0.4 -5,-0.1 -2,-0.1 -0.431 72.4 32.6 -71.7 147.2 -3.8 6.5 82.3 799 121 D G T 3 S+ 0 0 15 1,-0.2 -1,-0.2 -7,-0.1 -9,-0.1 0.623 77.3 175.0 77.8 22.8 -2.2 4.6 79.4 800 122 D F < - 0 0 32 -3,-0.8 23,-3.1 -9,-0.1 2,-0.4 -0.274 15.7-152.9 -61.1 138.6 -2.2 7.6 77.0 801 123 D E E -AB 790 822G 47 -11,-2.4 -11,-1.9 21,-0.2 2,-0.4 -0.944 14.6-169.9-125.8 131.8 -0.4 6.7 73.8 802 124 D E E -AB 789 821G 21 19,-2.2 19,-2.0 -2,-0.4 2,-0.5 -0.949 8.8-153.4-121.7 149.8 1.4 8.8 71.3 803 125 D K E -AB 788 820G 40 -15,-2.0 -16,-3.3 -2,-0.4 -15,-1.0 -0.978 10.0-170.7-125.7 121.6 2.6 7.7 67.9 804 126 D Y E -AB 786 819G 25 15,-3.4 15,-2.2 -2,-0.5 2,-0.4 -0.897 7.2-164.7-116.4 146.2 5.6 9.2 66.1 805 127 D Y E -AB 785 818G 19 -20,-2.3 -20,-2.5 -2,-0.4 2,-0.6 -0.999 6.6-164.6-127.5 126.6 6.8 8.7 62.5 806 128 D f E -AB 784 817G 0 11,-3.3 11,-2.3 -2,-0.4 2,-0.3 -0.940 6.0-154.6-125.7 103.7 10.3 9.8 61.6 807 129 D A E - B 0 816G 12 -24,-0.7 -49,-0.8 -2,-0.6 -50,-0.8 -0.613 8.0-158.0 -74.9 136.4 11.2 10.1 57.8 808 130 D A S S+ 0 0 19 7,-2.4 2,-0.3 -2,-0.3 -1,-0.1 0.648 78.8 8.2 -86.9 -15.2 14.9 9.7 56.9 809 131 D A S S- 0 0 43 6,-0.5 -1,-0.1 2,-0.1 -52,-0.1 -0.956 84.2 -90.9-158.1 163.6 14.2 11.6 53.7 810 132 D T S S+ 0 0 125 -2,-0.3 2,-0.1 -54,-0.2 3,-0.1 -0.276 77.4 68.1 -72.8 170.6 11.6 13.6 51.7 811 133 D G S S- 0 0 59 1,-0.1 -2,-0.1 3,-0.1 -182,-0.1 -0.475 92.7 -60.4 105.2-174.7 9.3 11.8 49.3 812 134 D L S S+ 0 0 41 1,-0.2 -1,-0.1 -2,-0.1 -183,-0.0 0.950 118.7 8.6 -78.2 -57.6 6.4 9.3 49.7 813 135 D F S S+ 0 0 4 -3,-0.1 -1,-0.2 -253,-0.1 3,-0.1 -0.572 82.2 166.9-125.9 64.6 7.6 6.1 51.4 814 136 D P - 0 0 8 0, 0.0 18,-0.1 0, 0.0 20,-0.1 -0.310 51.0 -76.5 -69.5 166.1 11.2 6.9 52.5 815 137 D P S S+ 0 0 44 0, 0.0 -7,-2.4 0, 0.0 -6,-0.5 -0.263 71.1 167.9 -47.0 149.6 13.2 4.8 54.9 816 138 D S E -BC 807 832G 4 16,-2.1 16,-2.9 -9,-0.2 2,-0.3 -0.978 36.7-132.9-157.4 174.9 11.8 5.6 58.4 817 139 D A E -BC 806 831G 0 -11,-2.3 -11,-3.3 -2,-0.3 2,-0.4 -0.988 17.5-158.4-128.1 152.1 11.5 4.9 62.1 818 140 D S E -BC 805 830G 20 12,-3.3 12,-2.9 -2,-0.3 2,-0.4 -0.975 7.0-173.2-130.9 140.5 8.4 4.7 64.2 819 141 D F E -BC 804 829G 0 -15,-2.2 -15,-3.4 -2,-0.4 2,-0.4 -0.997 6.6-166.4-132.5 137.8 8.0 5.1 67.9 820 142 D H E -BC 803 828G 18 8,-2.5 7,-2.9 -2,-0.4 8,-1.6 -0.968 8.2-170.3-123.2 138.2 5.1 4.7 70.4 821 143 D L E -BC 802 826G 0 -19,-2.0 -19,-2.2 -2,-0.4 2,-0.5 -0.896 9.7-155.6-123.4 146.8 5.1 5.9 73.9 822 144 D T E > S-BC 801 825G 41 3,-2.4 3,-1.5 -2,-0.3 -21,-0.2 -0.999 83.7 -14.5-127.0 126.9 2.6 5.2 76.7 823 145 D D T 3 S- 0 0 92 -23,-3.1 -1,-0.1 -2,-0.5 -22,-0.1 0.869 133.6 -50.0 43.8 43.8 2.3 7.8 79.5 824 146 D G T 3 S+ 0 0 23 -24,-0.3 -52,-1.8 1,-0.2 2,-0.4 0.671 116.0 112.1 78.2 18.1 5.7 9.2 78.2 825 147 D V E < S-ZC 771 822G 57 -3,-1.5 -3,-2.4 -54,-0.2 2,-0.3 -0.985 73.2-111.5-126.1 134.8 7.6 5.9 78.1 826 148 D L E + C 0 821G 2 -56,-3.1 -57,-2.9 -2,-0.4 -5,-0.3 -0.450 45.9 155.4 -63.5 124.1 8.8 4.1 75.0 827 149 D T E + 0 0 65 -7,-2.9 2,-0.3 -2,-0.3 -6,-0.2 0.434 63.0 35.7-131.7 -2.0 6.8 0.9 74.4 828 150 D Y E + C 0 820G 53 -8,-1.6 -8,-2.5 -61,-0.1 2,-0.4 -0.947 57.2 171.6-149.5 135.4 7.2 0.3 70.7 829 151 D R E + C 0 819G 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.998 7.2 161.6-142.0 138.2 10.0 1.0 68.2 830 152 D Y E - C 0 818G 99 -12,-2.9 -12,-3.3 -2,-0.4 2,-0.3 -0.999 12.0-170.8-150.7 151.8 10.4 -0.0 64.6 831 153 D Q E - C 0 817G 57 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.3 -1.000 7.9-157.6-141.0 148.7 12.5 1.0 61.6 832 154 D R E S- C 0 816G 21 -16,-2.9 -16,-2.1 -2,-0.3 -2,-0.0 -0.993 73.0 -26.0-127.9 121.6 12.4 0.2 57.8 833 155 D S S S+ 0 0 73 -2,-0.4 2,-0.1 -18,-0.2 -16,-0.1 0.590 79.7 166.3 61.2 22.2 15.5 0.5 55.6 834 156 D L 0 0 13 -18,-0.3 -1,-0.2 -75,-0.1 -75,-0.1 -0.430 360.0 360.0 -62.5 142.8 17.3 3.2 57.6 835 157 D T 0 0 144 -77,-0.3 -75,-2.0 -2,-0.1 -74,-0.3 -0.866 360.0 360.0-100.9 360.0 21.0 3.9 56.9