==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-02 1KVM . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.M.BEADLE,I.TREHAN,P.J.FOCIA,B.K.SHOICHET . 712 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 10 1.4 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 . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 5 1 1 1 2 0 4 2 2 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 8 6 2 0 1 5 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 . 5 3 0 0 0 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 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 4 A A 0 0 81 0, 0.0 35,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 154.9 23.6 -20.1 35.0 2 5 A P > - 0 0 60 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.320 360.0-120.0 -53.2 137.5 24.4 -19.6 38.7 3 6 A Q H > S+ 0 0 145 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.845 113.2 59.7 -50.8 -35.5 21.2 -18.4 40.3 4 7 A Q H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.972 109.3 40.4 -57.5 -56.9 23.0 -15.2 41.4 5 8 A I H > S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 5,-0.3 0.942 115.6 53.1 -57.8 -47.3 23.7 -14.3 37.8 6 9 A N H X S+ 0 0 57 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.940 112.1 44.7 -52.9 -51.8 20.2 -15.5 36.7 7 10 A D H X S+ 0 0 40 -4,-3.6 4,-2.9 2,-0.2 5,-0.3 0.945 112.3 47.3 -62.6 -52.2 18.5 -13.3 39.3 8 11 A I H X S+ 0 0 35 -4,-2.6 4,-1.2 -5,-0.2 5,-0.2 0.920 115.0 48.7 -59.2 -41.1 20.5 -10.1 38.9 9 12 A V H >X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.3 3,-0.5 0.968 115.8 41.4 -61.0 -55.6 20.0 -10.3 35.1 10 13 A H H 3X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.889 113.4 52.0 -60.9 -42.2 16.3 -11.0 35.2 11 14 A R H 3< S+ 0 0 180 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.756 118.7 37.9 -68.3 -21.8 15.5 -8.5 37.9 12 15 A T H S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.867 112.9 57.0 -72.0 -31.1 11.7 -4.1 34.2 16 19 A L H X S+ 0 0 16 -4,-1.1 4,-2.7 1,-0.2 5,-0.2 0.957 105.6 49.4 -60.2 -50.5 13.9 -2.5 31.4 17 20 A I H X>S+ 0 0 32 -4,-2.7 5,-2.0 1,-0.2 4,-0.7 0.879 114.4 45.7 -56.0 -41.9 12.0 -4.3 28.6 18 21 A E H <5S+ 0 0 141 -4,-1.4 3,-0.3 -5,-0.2 -1,-0.2 0.910 113.5 47.0 -70.4 -45.0 8.7 -3.2 30.0 19 22 A Q H <5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.916 121.6 36.4 -64.1 -43.5 9.6 0.4 30.7 20 23 A Q H <5S- 0 0 44 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.487 103.1-129.1 -88.7 -3.7 11.2 0.9 27.2 21 24 A K T <5 - 0 0 172 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.949 38.1-176.9 52.7 53.2 8.7 -1.4 25.4 22 25 A I < - 0 0 10 -5,-2.0 -1,-0.2 -6,-0.2 3,-0.1 -0.722 21.7-152.4 -86.1 125.0 11.5 -3.4 23.8 23 26 A P S S- 0 0 27 0, 0.0 19,-2.5 0, 0.0 2,-0.3 0.878 74.1 -2.7 -63.9 -42.5 10.2 -6.1 21.4 24 27 A G E +A 41 0A 2 17,-0.3 312,-1.7 19,-0.1 2,-0.3 -0.995 64.7 175.7-151.4 154.6 13.1 -8.4 21.7 25 28 A M E -AB 40 335A 0 15,-2.1 15,-2.5 -2,-0.3 2,-0.4 -0.990 13.0-161.3-162.0 148.7 16.4 -8.5 23.5 26 29 A A E -AB 39 334A 0 308,-2.6 308,-2.8 -2,-0.3 2,-0.4 -0.987 11.6-171.4-131.9 143.7 19.4 -10.8 24.2 27 30 A V E -AB 38 333A 0 11,-2.5 11,-2.2 -2,-0.4 2,-0.4 -0.996 5.5-168.9-137.2 139.7 21.9 -10.4 27.0 28 31 A A E -AB 37 332A 0 304,-2.0 304,-2.0 -2,-0.4 2,-0.5 -0.990 4.5-163.1-126.3 137.3 25.2 -12.2 27.6 29 32 A V E -AB 36 331A 0 7,-2.4 7,-2.0 -2,-0.4 2,-0.6 -0.987 7.7-156.8-116.9 129.6 27.2 -11.9 30.9 30 33 A I E +AB 35 330A 2 300,-2.4 300,-2.2 -2,-0.5 2,-0.5 -0.954 16.5 177.4-110.0 117.4 30.8 -13.1 30.6 31 34 A Y E > -AB 34 329A 61 3,-2.6 3,-1.2 -2,-0.6 298,-0.2 -0.966 66.8 -23.0-127.4 112.8 32.1 -14.1 34.1 32 35 A Q T 3 S- 0 0 136 296,-2.4 -1,-0.1 -2,-0.5 297,-0.1 0.871 128.8 -46.3 57.4 42.8 35.6 -15.5 34.5 33 36 A G T 3 S+ 0 0 41 295,-0.5 -1,-0.3 1,-0.2 296,-0.1 0.543 118.0 106.5 80.9 6.1 35.8 -16.6 30.9 34 37 A K E < -A 31 0A 32 -3,-1.2 -3,-2.6 2,-0.0 2,-0.3 -0.961 58.0-142.5-120.3 135.1 32.3 -18.2 30.8 35 38 A P E -A 30 0A 58 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.724 9.9-167.8 -97.7 147.4 29.3 -16.8 29.0 36 39 A Y E -A 29 0A 65 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.3 -1.000 15.8-152.8-129.7 128.4 25.7 -17.0 30.2 37 40 A Y E -A 28 0A 58 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.765 14.4-178.6-108.5 150.3 23.0 -16.1 27.8 38 41 A F E -A 27 0A 18 -11,-2.2 -11,-2.5 -2,-0.3 2,-0.3 -0.994 3.8-173.9-143.1 145.6 19.5 -14.7 28.2 39 42 A T E -A 26 0A 57 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.998 3.2-179.0-144.4 150.8 16.8 -13.9 25.7 40 43 A W E -A 25 0A 41 -15,-2.5 -15,-2.1 -2,-0.3 11,-0.1 -0.983 43.9 -17.7-144.2 152.0 13.3 -12.3 25.6 41 44 A G E S-A 24 0A 38 -2,-0.3 10,-2.5 -17,-0.2 2,-0.4 -0.039 87.4 -17.3 61.4-151.4 10.6 -11.4 23.2 42 45 A Y E -I 50 0B 108 -19,-2.5 3,-0.2 8,-0.3 294,-0.2 -0.779 18.0-173.0-111.3 139.2 10.6 -11.2 19.4 43 46 A A E S+ 0 0 7 6,-2.9 155,-3.2 -2,-0.4 2,-0.3 0.741 101.4 20.2 -86.7 -30.3 13.1 -10.9 16.6 44 47 A D E > -I 49 0B 19 5,-1.7 5,-1.8 153,-0.2 -1,-0.3 -0.877 67.1-168.9-145.1 103.8 10.1 -10.5 14.2 45 48 A I T > 5S+ 0 0 85 -2,-0.3 3,-1.0 -3,-0.2 -1,-0.1 0.907 86.7 52.0 -60.8 -44.7 6.8 -9.4 15.7 46 49 A A T 3 5S+ 0 0 85 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.918 118.2 34.2 -61.2 -48.5 4.8 -10.1 12.6 47 50 A K T 3 5S- 0 0 149 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.256 106.6-124.5 -92.3 12.1 6.0 -13.7 12.0 48 51 A K T < 5 + 0 0 154 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.817 49.6 162.9 49.9 39.9 6.2 -14.4 15.8 49 52 A Q E < -I 44 0B 98 -5,-1.8 -6,-2.9 1,-0.0 -5,-1.7 -0.800 31.0-136.4 -90.0 126.0 9.9 -15.4 15.6 50 53 A P E -I 42 0B 72 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.349 21.9-101.4 -77.5 159.6 11.5 -15.3 19.1 51 54 A V + 0 0 6 -10,-2.5 2,-0.3 -26,-0.1 -12,-0.0 -0.638 50.9 172.4 -77.0 136.5 14.9 -13.9 19.9 52 55 A T > - 0 0 45 -2,-0.3 3,-1.6 143,-0.1 172,-0.3 -0.800 51.3 -90.1-135.1 179.4 17.4 -16.8 20.3 53 56 A Q T 3 S+ 0 0 71 1,-0.3 172,-0.9 -2,-0.3 171,-0.1 0.594 127.3 53.5 -70.8 -8.3 21.2 -17.0 20.7 54 57 A Q T 3 S+ 0 0 88 169,-0.1 -1,-0.3 170,-0.1 2,-0.2 0.365 80.1 120.6-104.5 2.3 21.4 -17.2 16.9 55 58 A T < - 0 0 4 -3,-1.6 169,-0.5 141,-0.1 2,-0.4 -0.477 59.3-136.5 -69.6 133.1 19.4 -14.0 16.3 56 59 A L B -j 196 0C 2 139,-3.1 141,-1.9 -2,-0.2 2,-0.4 -0.799 22.0-171.1 -91.2 131.0 21.3 -11.3 14.4 57 60 A F E -K 222 0D 1 165,-2.5 165,-2.0 -2,-0.4 2,-0.5 -0.922 30.5-111.2-118.7 147.9 21.0 -7.7 15.7 58 61 A E E -K 221 0D 3 -2,-0.4 163,-0.2 163,-0.2 277,-0.2 -0.691 26.1-160.8 -77.1 125.9 22.3 -4.6 14.1 59 62 A L > - 0 0 0 161,-2.6 3,-1.7 -2,-0.5 260,-0.2 0.707 15.8-173.1 -80.0 -23.3 25.1 -3.4 16.3 60 63 A G G > S+ 0 0 0 160,-0.6 3,-2.5 158,-0.5 160,-0.5 -0.385 70.9 0.0 63.0-139.4 25.1 0.2 15.0 61 64 A S G > S+ 0 0 14 252,-0.4 3,-1.7 1,-0.3 4,-0.3 0.597 116.5 80.9 -58.5 -14.5 28.0 2.2 16.5 62 65 A V G X> S+ 0 0 0 -3,-1.7 3,-1.5 1,-0.3 4,-0.6 0.773 80.3 73.1 -63.7 -18.4 29.3 -0.8 18.5 63 66 A S H X> S+ 0 0 0 -3,-2.5 4,-2.1 1,-0.3 3,-0.7 0.817 78.4 73.2 -62.1 -30.1 30.7 -1.7 15.0 64 67 A K H <> S+ 0 0 0 -3,-1.7 4,-2.3 153,-0.5 -1,-0.3 0.787 88.5 61.3 -57.4 -24.1 33.3 1.1 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.3 0.909 103.9 47.6 -69.3 -38.7 35.0 -1.2 18.1 66 69 A F H S+ 0 0 2 -4,-2.1 5,-2.2 2,-0.2 6,-0.8 0.887 109.7 49.5 -64.2 -37.6 46.9 -2.9 10.6 75 78 A I H ><5S+ 0 0 10 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.959 108.5 51.1 -63.9 -51.9 49.2 -0.9 12.9 76 79 A A H 3<5S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.8 55.6 -55.2 -32.9 50.7 -4.0 14.5 77 80 A R T 3<5S- 0 0 107 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.528 115.7-117.7 -76.4 -9.2 51.4 -5.4 11.0 78 81 A G T < 5S+ 0 0 61 -3,-2.3 -3,-0.2 -4,-0.3 -2,-0.1 0.664 81.4 121.4 79.9 15.7 53.4 -2.3 10.2 79 82 A E S - 0 0 66 -2,-0.3 3,-1.7 4,-0.1 22,-0.3 -0.986 20.1-132.0-138.1 142.5 50.9 4.3 11.7 82 85 A L T 3 S+ 0 0 9 -2,-0.3 22,-2.3 1,-0.3 23,-0.3 0.707 109.2 60.7 -65.8 -21.4 48.5 6.5 13.7 83 86 A S T 3 S+ 0 0 28 574,-0.3 -1,-0.3 20,-0.2 573,-0.1 0.503 81.1 110.3 -82.2 -7.6 51.1 9.3 13.3 84 87 A D S < S- 0 0 8 -3,-1.7 19,-2.2 1,-0.1 20,-0.3 -0.464 77.2-112.5 -70.0 141.6 50.8 9.2 9.5 85 88 A P B > -M 102 0E 57 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.422 23.2-120.5 -70.4 148.6 49.1 12.2 7.8 86 89 A T G >> S+ 0 0 0 15,-3.1 3,-1.5 12,-0.3 4,-0.7 0.841 110.2 64.5 -57.3 -35.0 45.7 11.3 6.3 87 90 A T G 34 S+ 0 0 47 14,-0.3 -1,-0.3 11,-0.3 6,-0.1 0.670 84.5 73.4 -66.5 -17.4 47.0 12.4 2.9 88 91 A K G <4 S+ 0 0 118 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.826 108.7 33.3 -64.9 -28.2 49.6 9.6 2.8 89 92 A Y T <4 S+ 0 0 24 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.490 133.0 30.2-104.3 -9.2 46.7 7.2 2.2 90 93 A W >< + 0 0 21 -4,-0.7 3,-2.5 3,-0.1 -1,-0.2 -0.564 65.5 174.4-146.1 73.9 44.5 9.6 0.1 91 94 A P T 3 S+ 0 0 84 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.707 74.4 72.8 -58.5 -17.5 46.9 11.9 -1.7 92 95 A E T 3 S+ 0 0 106 1,-0.2 2,-2.2 2,-0.1 3,-0.3 0.589 70.5 93.5 -70.7 -12.1 44.0 13.4 -3.6 93 96 A L < + 0 0 2 -3,-2.5 -1,-0.2 1,-0.2 -3,-0.1 -0.577 48.8 148.7 -80.4 79.6 43.0 15.1 -0.3 94 97 A T + 0 0 98 -2,-2.2 -1,-0.2 3,-0.0 5,-0.1 0.616 21.0 117.1 -91.9 -14.8 44.9 18.2 -1.4 95 98 A A S > S- 0 0 25 -3,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.318 71.2-126.6 -56.0 135.3 42.8 20.9 0.4 96 99 A K G > S+ 0 0 183 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.607 99.7 76.9 -64.7 -14.6 45.1 22.5 2.9 97 100 A Q G 3 S+ 0 0 41 1,-0.2 -1,-0.3 36,-0.2 -2,-0.1 0.717 89.0 65.1 -67.4 -15.6 42.9 22.1 5.9 98 101 A W G X S+ 0 0 0 -3,-1.8 3,-2.1 2,-0.1 -12,-0.3 0.592 71.5 108.3 -82.0 -13.5 44.1 18.4 5.8 99 102 A N T < S+ 0 0 140 -3,-1.4 3,-0.1 1,-0.3 -5,-0.0 -0.492 89.1 18.2 -63.7 124.4 47.7 19.3 6.5 100 103 A G T 3 S+ 0 0 36 -2,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.337 91.4 122.3 95.9 -10.7 48.3 18.1 10.1 101 104 A I < - 0 0 1 -3,-2.1 -15,-3.1 3,-0.0 -14,-0.3 -0.799 43.8-171.2 -91.5 113.0 45.3 15.8 10.3 102 105 A T B > -M 85 0E 23 -2,-0.8 4,-1.7 -17,-0.3 3,-0.4 -0.521 40.1-103.6 -99.2 167.0 46.6 12.3 11.1 103 106 A L H > S+ 0 0 0 -19,-2.2 4,-2.6 -22,-0.3 5,-0.2 0.834 121.4 62.7 -58.8 -31.6 45.0 8.9 11.2 104 107 A L H > S+ 0 0 6 -22,-2.3 4,-1.9 -20,-0.3 6,-0.2 0.960 102.7 48.7 -59.1 -45.1 45.0 9.2 15.0 105 108 A H H 4>S+ 0 0 24 -3,-0.4 5,-2.2 -23,-0.3 6,-0.6 0.901 111.6 49.4 -61.1 -40.8 42.7 12.3 14.7 106 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.955 111.9 48.4 -61.8 -48.9 40.3 10.4 12.3 107 110 A A H 3<5S+ 0 0 0 -4,-2.6 160,-0.6 1,-0.2 -1,-0.2 0.783 118.3 38.9 -63.1 -29.3 40.1 7.4 14.6 108 111 A T T 3<5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.209 109.6-112.2-111.5 17.0 39.5 9.4 17.8 109 112 A Y T < 5S+ 0 0 3 -3,-1.1 37,-2.0 -4,-0.4 4,-0.2 0.774 84.1 116.7 60.1 32.0 37.1 12.1 16.4 110 113 A T < + 0 0 0 -5,-2.2 32,-2.9 -6,-0.2 33,-0.4 0.052 27.4 111.2-117.5 26.8 39.6 14.9 16.9 111 114 A A S S- 0 0 1 -6,-0.6 -1,-0.1 30,-0.2 -5,-0.1 0.669 101.0 -82.3 -74.1 -16.1 40.3 16.0 13.3 112 115 A G S S- 0 0 0 32,-0.4 26,-2.2 -3,-0.2 27,-1.7 0.686 90.6 -32.0 123.5 27.8 38.6 19.3 14.0 113 116 A G + 0 0 15 31,-0.2 23,-0.1 -4,-0.2 3,-0.1 0.737 67.9 175.2 104.7 26.3 34.8 18.9 13.7 114 117 A L - 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0 0 23 -3,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.149 67.4-119.3 -50.1 141.6 61.1 23.8 41.3 453 99 B K G > S+ 0 0 181 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.760 105.3 71.2 -57.1 -31.2 59.1 25.4 38.5 454 100 B Q G 3 S+ 0 0 26 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.663 90.0 65.4 -64.1 -10.9 61.4 24.2 35.6 455 101 B W G X S+ 0 0 3 -3,-1.8 3,-2.5 2,-0.1 -12,-0.4 0.623 71.6 110.7 -85.6 -12.0 60.1 20.7 36.3 456 102 B N T < S+ 0 0 139 -3,-1.9 3,-0.1 1,-0.3 -5,-0.0 -0.459 87.2 18.8 -63.5 122.7 56.5 21.6 35.2 457 103 B G T 3 S+ 0 0 46 -2,-0.3 2,-0.9 1,-0.3 -1,-0.3 0.389 91.4 122.0 95.7 -6.6 56.0 19.8 32.0 458 104 B I < - 0 0 1 -3,-2.5 -15,-2.8 40,-0.1 -14,-0.3 -0.826 43.9-174.6 -94.7 112.0 58.8 17.3 32.4 459 105 B T B > -B 442 0L 21 -2,-0.9 4,-1.6 -17,-0.3 -19,-0.1 -0.431 41.8-100.4 -98.9 174.9 57.2 13.9 32.2 460 106 B L H > S+ 0 0 0 -19,-1.9 4,-2.5 -22,-0.3 5,-0.2 0.847 122.0 59.8 -64.4 -34.0 58.5 10.3 32.8 461 107 B L H > S+ 0 0 7 -22,-2.3 4,-1.8 -164,-0.2 6,-0.3 0.935 103.9 50.5 -57.1 -47.5 58.6 9.9 28.9 462 108 B H H >>S+ 0 0 22 -23,-0.3 5,-2.0 1,-0.2 6,-0.7 0.906 112.0 47.2 -57.8 -45.2 61.1 12.9 28.8 463 109 B L H ><5S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.947 113.0 48.2 -63.2 -48.4 63.3 11.4 31.5 464 110 B A H 3<5S+ 0 0 0 -4,-2.5 160,-0.6 1,-0.2 -1,-0.2 0.754 119.0 38.3 -65.1 -26.5 63.3 7.9 29.9 465 111 B T H 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.244 109.9-111.8-111.9 11.9 64.2 9.2 26.4 466 112 B Y T <<5S+ 0 0 3 -3,-1.0 37,-2.4 -4,-0.5 4,-0.4 0.697 84.7 115.8 67.9 25.2 66.7 12.0 27.2 467 113 B T < + 0 0 0 -5,-2.0 32,-3.1 -6,-0.3 33,-0.4 0.116 28.2 110.8-112.3 21.2 64.3 14.8 26.1 468 114 B A S S- 0 0 1 -6,-0.7 -1,-0.2 30,-0.2 -5,-0.1 0.759 101.6 -84.8 -65.8 -23.8 63.8 16.6 29.4 469 115 B G S S- 0 0 0 32,-0.3 26,-2.9 -3,-0.3 27,-1.2 0.690 88.8 -30.4 123.4 40.3 65.7 19.5 28.1 470 116 B G + 0 0 12 -4,-0.4 23,-0.1 31,-0.3 3,-0.1 0.816 67.3 176.7 95.5 30.9 69.4 19.0 28.6 471 117 B L - 0 0 4 32,-0.1 -1,-0.2 1,-0.1 37,-0.2 -0.508 46.8 -94.4 -64.3 140.5 69.8 16.9 31.7 472 118 B P - 0 0 39 0, 0.0 35,-1.2 0, 0.0 36,-0.2 -0.173 21.3-118.1 -62.5 149.0 73.6 16.3 32.0 473 119 B L S S+ 0 0 62 32,-0.2 33,-2.7 33,-0.2 34,-0.4 0.908 99.6 29.2 -50.8 -48.5 75.5 13.3 30.6 474 120 B Q S S- 0 0 100 32,-0.2 -1,-0.1 31,-0.2 3,-0.1 -0.878 83.4-118.0-117.5 150.3 76.6 12.3 34.1 475 121 B V - 0 0 17 -2,-0.3 94,-0.1 94,-0.2 4,-0.0 -0.685 60.7 -90.0 -73.7 132.1 75.2 12.9 37.5 476 122 B P > - 0 0 51 0, 0.0 3,-2.3 0, 0.0 93,-0.2 -0.177 29.9-127.0 -51.9 135.7 77.9 15.0 39.1 477 123 B D T 3 S+ 0 0 137 1,-0.3 92,-0.1 91,-0.1 -2,-0.1 0.781 106.5 60.8 -50.4 -34.3 80.6 13.0 40.9 478 124 B E T 3 S+ 0 0 146 6,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.529 76.5 101.7 -76.0 -7.6 80.1 15.0 44.1 479 125 B V < + 0 0 15 -3,-2.3 90,-0.5 1,-0.2 3,-0.1 -0.716 38.9 147.4 -78.9 114.3 76.5 14.0 44.4 480 126 B K + 0 0 176 -2,-0.7 2,-0.3 88,-0.1 -1,-0.2 0.464 49.0 49.4-129.5 -5.1 76.7 11.2 47.1 481 127 B S S > S- 0 0 55 1,-0.1 4,-2.2 88,-0.0 5,-0.1 -0.880 84.4-107.6-132.3 165.9 73.5 11.3 49.2 482 128 B S H > S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.832 123.4 53.4 -61.1 -29.1 69.8 11.4 48.5 483 129 B S H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 105.3 51.5 -70.9 -43.6 70.0 15.1 49.7 484 130 B D H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.926 110.3 52.2 -56.3 -42.2 72.7 15.9 47.2 485 131 B L H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.927 107.6 46.9 -62.6 -53.4 70.5 14.4 44.5 486 132 B L H X S+ 0 0 29 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.898 113.7 51.5 -57.3 -40.6 67.4 16.3 45.1 487 133 B R H X S+ 0 0 168 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.954 107.4 52.2 -61.9 -49.1 69.6 19.5 45.3 488 134 B F H X S+ 0 0 32 -4,-2.7 4,-1.4 1,-0.2 3,-0.4 0.964 116.2 39.2 -51.0 -57.1 71.2 18.7 42.0 489 135 B Y H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 114.0 53.5 -65.3 -34.2 67.8 18.3 40.2 490 136 B Q H < S+ 0 0 46 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.799 115.4 42.6 -69.1 -27.9 66.2 21.2 42.1 491 137 B N H < S+ 0 0 117 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.633 88.0 111.6 -90.9 -19.0 69.1 23.4 40.9 492 138 B W < - 0 0 22 -4,-1.4 -38,-0.1 -5,-0.2 -21,-0.1 -0.352 53.3-155.4 -60.2 133.3 69.3 22.1 37.3 493 139 B Q - 0 0 127 -23,-0.1 -2,-0.1 -2,-0.1 -1,-0.0 -0.965 21.1-111.9-118.4 126.0 68.2 24.6 34.7 494 140 B P - 0 0 48 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.171 13.7-160.8 -52.0 133.6 66.9 23.5 31.2 495 141 B A S S+ 0 0 63 -26,-2.9 2,-0.3 1,-0.2 -25,-0.2 0.710 83.4 8.2 -87.7 -23.7 69.0 24.1 28.1 496 142 B W S S- 0 0 93 -27,-1.2 -1,-0.2 5,-0.1 3,-0.1 -0.919 93.5 -81.9-146.1 170.3 65.9 23.6 26.0 497 143 B A >> - 0 0 59 -2,-0.3 3,-0.9 1,-0.1 4,-0.5 -0.408 63.4 -84.0 -72.5 156.4 62.1 23.2 26.5 498 144 B P T 34 S+ 0 0 49 0, 0.0 -30,-0.2 0, 0.0 -1,-0.1 -0.274 111.5 18.6 -60.3 144.9 60.9 19.6 27.3 499 145 B G T 34 S+ 0 0 18 -32,-3.1 155,-0.1 2,-0.2 -31,-0.1 0.756 102.1 89.1 67.5 29.5 60.4 17.3 24.3 500 146 B T T <4 S+ 0 0 52 -3,-0.9 152,-2.3 -33,-0.4 2,-0.4 0.633 84.0 33.0-123.3 -36.1 62.5 19.3 21.7 501 147 B Q E < -C 651 0M 46 -4,-0.5 2,-0.6 -34,-0.3 -1,-0.3 -0.965 63.9-142.0-128.8 145.7 66.1 18.0 21.9 502 148 B R E +C 650 0M 12 148,-3.4 148,-1.8 -2,-0.4 2,-0.5 -0.914 21.7 174.9-104.9 121.8 67.6 14.6 22.7 503 149 B L - 0 0 33 -37,-2.4 -35,-0.1 -2,-0.6 -32,-0.1 -0.926 34.8-123.9-127.7 107.4 70.7 14.7 24.8 504 150 B Y + 0 0 18 -2,-0.5 2,-0.3 142,-0.4 -38,-0.1 -0.206 46.3 167.7 -49.2 128.7 72.0 11.3 25.8 505 151 B A > - 0 0 0 1,-0.1 4,-1.7 2,-0.0 5,-0.3 -0.933 46.8-158.2-158.5 133.3 72.2 11.3 29.6 506 152 B N H > S+ 0 0 8 -33,-2.7 4,-1.7 -2,-0.3 5,-0.2 0.823 102.0 60.4 -69.9 -34.8 72.6 9.0 32.6 507 153 B S H > S+ 0 0 0 -35,-1.2 4,-0.6 -34,-0.4 -1,-0.2 0.730 107.4 47.1 -67.5 -20.7 71.1 11.7 34.8 508 154 B S H > S+ 0 0 1 -3,-0.3 4,-1.9 -36,-0.2 3,-0.3 0.956 121.5 28.1 -84.2 -66.1 67.9 11.5 32.7 509 155 B I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.835 115.8 65.5 -67.1 -26.4 67.1 7.8 32.3 510 156 B G H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.928 106.0 41.6 -58.9 -44.8 68.8 7.2 35.6 511 157 B L H X S+ 0 0 4 -4,-0.6 4,-2.4 -3,-0.3 5,-0.2 0.871 110.2 58.7 -70.2 -37.0 66.1 9.2 37.4 512 158 B F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.951 106.1 49.4 -54.9 -51.1 63.4 7.6 35.3 513 159 B G H X S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.899 111.2 47.9 -55.5 -43.5 64.5 4.2 36.5 514 160 B A H < S+ 0 0 20 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.883 116.2 43.1 -70.2 -34.7 64.5 5.2 40.2 515 161 B L H >< S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.839 103.2 67.0 -77.7 -32.0 61.1 6.8 39.9 516 162 B A H 3< S+ 0 0 2 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.839 103.6 44.4 -57.8 -38.2 59.5 4.0 37.9 517 163 B V T >X>S+ 0 0 7 -4,-1.1 4,-0.9 1,-0.2 5,-0.7 0.613 86.8 95.1 -84.9 -11.8 59.8 1.5 40.7 518 164 B K G X45S+ 0 0 119 -3,-0.9 3,-1.9 -4,-0.4 -1,-0.2 0.897 82.4 51.0 -44.0 -58.7 58.4 3.9 43.4 519 165 B P G 345S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.853 105.8 55.4 -49.8 -40.7 54.8 2.7 43.2 520 166 B S G <45S- 0 0 28 -3,-0.7 -2,-0.2 -4,-0.3 3,-0.1 0.661 100.9-137.5 -67.9 -18.4 55.8 -0.9 43.6 521 167 B G T <<5 + 0 0 67 -3,-1.9 2,-0.2 -4,-0.9 -3,-0.1 0.491 62.0 125.8 73.2 0.5 57.6 0.0 46.8 522 168 B L < - 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