==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-12 4B6G . COMPND 2 MOLECULE: PUTATIVE ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR R.M.COUNAGO,B.KOBE . 558 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 5 0.9 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.2 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 0 5 3 0 2 0 4 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 4 1 0 2 0 0 2 0 2 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 0 0 0 1 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 -7 A E 0 0 206 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.6 14.1 106.2 39.2 2 -6 A N - 0 0 171 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.858 360.0-175.7-100.0 104.1 17.6 106.4 37.8 3 -5 A L - 0 0 85 -2,-0.8 2,-0.3 2,-0.0 9,-0.1 -0.650 16.5-175.0-104.4 156.1 17.2 107.5 34.2 4 -4 A Y - 0 0 123 7,-0.4 7,-2.7 -2,-0.2 2,-0.4 -0.947 6.7-170.1-150.1 130.0 19.7 107.9 31.4 5 -3 A F E -A 10 0A 119 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.978 15.9-179.3-126.2 136.4 18.9 109.3 27.9 6 -2 A Q E > -A 9 0A 86 3,-2.7 3,-2.2 -2,-0.4 2,-0.2 -0.843 67.3 -71.6-128.8 90.1 21.0 109.5 24.8 7 -1 A G T 3 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 133,-0.0 -0.400 119.6 -2.5 60.5-124.8 18.9 111.3 22.2 8 0 A A T 3 S+ 0 0 68 -2,-0.2 20,-0.4 -3,-0.1 2,-0.4 0.606 121.4 89.4 -72.0 -11.5 16.0 109.0 21.2 9 1 A M E < -A 6 0A 2 -3,-2.2 -3,-2.7 18,-0.1 2,-0.5 -0.733 56.6-164.8 -96.5 134.9 17.3 106.2 23.4 10 2 A E E -AB 5 26A 52 16,-2.5 16,-2.6 -2,-0.4 2,-0.5 -0.973 23.4-128.5-112.1 128.6 16.5 105.6 27.0 11 3 A L E + B 0 25A 25 -7,-2.7 -7,-0.4 -2,-0.5 14,-0.2 -0.647 32.5 168.8 -78.9 122.1 18.7 103.3 28.9 12 4 A I E + 0 0 71 12,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.802 64.9 9.0-100.7 -39.9 16.6 100.6 30.7 13 5 A E E - B 0 24A 45 11,-1.7 11,-2.1 2,-0.0 -1,-0.4 -0.995 54.2-179.6-140.6 148.6 19.3 98.1 31.8 14 6 A Q E + B 0 23A 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 10.7 166.3-148.4 129.2 23.1 98.0 32.0 15 7 A H E - B 0 22A 28 7,-2.2 7,-3.2 -2,-0.3 2,-0.2 -0.982 32.5-126.6-142.4 132.0 25.2 95.2 33.3 16 8 A Q E + B 0 21A 51 519,-0.5 2,-0.3 -2,-0.3 521,-0.3 -0.549 36.7 166.9 -74.3 138.0 28.9 94.4 33.0 17 9 A I E > - B 0 20A 3 3,-2.7 3,-2.1 -2,-0.2 525,-0.1 -0.923 63.0 -9.1-157.1 129.5 29.6 90.9 31.6 18 10 A F T 3 S- 0 0 44 523,-0.3 26,-0.3 -2,-0.3 3,-0.1 0.850 127.8 -56.2 46.1 42.6 32.8 89.4 30.3 19 11 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.3 24,-0.1 2,-0.2 0.335 123.8 85.6 83.6 -8.2 34.4 92.8 30.4 20 12 A G E < S-B 17 0A 3 -3,-2.1 -3,-2.7 23,-0.1 2,-0.5 -0.485 80.5 -97.6-115.6-173.6 31.9 94.5 28.2 21 13 A S E -BC 16 42A 15 21,-2.4 21,-2.5 -5,-0.2 2,-0.7 -0.938 18.5-158.6-119.0 118.7 28.5 96.1 28.7 22 14 A Q E +BC 15 41A 0 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.3 -0.881 27.4 179.7 -91.0 115.3 25.1 94.4 28.2 23 15 A Q E -BC 14 40A 15 17,-2.9 17,-2.3 -2,-0.7 2,-0.4 -0.812 24.3-159.7-116.8 153.8 22.6 97.2 27.7 24 16 A V E -BC 13 39A 1 -11,-2.1 -12,-3.0 -2,-0.3 -11,-1.7 -0.995 19.8-176.6-129.6 128.2 18.9 97.4 27.0 25 17 A W E -BC 11 38A 11 13,-2.8 13,-2.3 -2,-0.4 2,-0.4 -0.876 14.9-146.2-122.9 156.4 17.5 100.6 25.5 26 18 A A E +BC 10 37A 2 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.3 -0.940 23.8 160.8-120.5 147.5 14.1 101.8 24.6 27 19 A H E - C 0 36A 6 9,-2.3 9,-3.0 -2,-0.4 2,-0.6 -0.981 44.6 -95.0-155.3 162.3 13.1 104.1 21.8 28 20 A H E - C 0 35A 98 -20,-0.4 2,-0.9 -2,-0.3 7,-0.2 -0.753 35.4-148.8 -83.3 119.9 10.2 105.2 19.7 29 21 A A E >>> - C 0 34A 0 5,-2.8 4,-1.3 -2,-0.6 5,-1.2 -0.807 9.6-168.2 -92.3 106.7 10.0 103.1 16.6 30 22 A Q T 345S+ 0 0 123 -2,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.856 87.4 54.5 -59.8 -37.0 8.5 105.3 13.8 31 23 A T T 345S+ 0 0 32 1,-0.2 -1,-0.2 -3,-0.1 97,-0.1 0.782 118.4 34.2 -71.1 -25.8 8.1 102.3 11.5 32 24 A L T <45S- 0 0 0 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.472 98.2-132.4-105.3 -8.8 6.1 100.4 14.2 33 25 A Q T <5S+ 0 0 93 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.907 75.4 84.9 51.5 46.6 4.3 103.4 15.8 34 26 A C E + 0 0 28 -3,-0.1 3,-2.0 1,-0.0 -1,-0.1 -0.388 14.3 168.8-163.1 62.9 36.5 99.3 23.8 46 38 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.800 83.6 51.7 -58.5 -29.9 38.0 102.3 25.7 47 39 A E T 3 S- 0 0 164 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.373 107.2-124.0 -88.8 1.2 39.3 103.8 22.4 48 40 A N < - 0 0 113 -3,-2.0 -3,-0.0 1,-0.2 3,-0.0 0.888 40.4-177.4 56.5 40.3 35.9 103.5 20.6 49 41 A R - 0 0 121 1,-0.1 2,-0.3 95,-0.0 -1,-0.2 -0.464 35.8-100.9 -61.5 137.9 37.4 101.4 17.8 50 42 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 93,-0.3 -0.500 46.7-171.3 -68.1 131.9 34.8 100.7 15.1 51 43 A L E -e 143 0A 6 91,-2.1 93,-1.6 -2,-0.3 94,-0.3 -0.859 23.4-108.1-123.4 154.1 33.4 97.2 15.4 52 44 A G E - 0 0 3 29,-0.4 31,-2.3 -2,-0.3 2,-0.4 -0.369 32.5-131.8 -77.4 160.6 31.2 95.0 13.3 53 45 A V E -ef 147 83A 4 93,-1.6 95,-2.1 29,-0.2 2,-0.5 -0.959 13.0-163.3-120.9 130.1 27.6 94.3 14.3 54 46 A I E -ef 148 84A 0 29,-2.7 31,-2.5 -2,-0.4 2,-0.5 -0.968 12.6-150.7-106.5 125.8 25.7 91.1 14.5 55 47 A Y E -ef 149 85A 2 93,-2.6 95,-2.4 -2,-0.5 2,-0.5 -0.857 8.4-160.1 -89.8 126.9 21.9 91.3 14.7 56 48 A W E -e 150 0A 0 29,-2.9 2,-0.5 -2,-0.5 95,-0.3 -0.954 4.1-157.9-107.9 120.7 20.3 88.3 16.5 57 49 A L E -e 151 0A 0 93,-2.8 95,-1.9 -2,-0.5 98,-0.1 -0.861 11.0-144.9-101.5 130.6 16.6 87.8 15.8 58 50 A S - 0 0 0 -2,-0.5 100,-0.1 29,-0.4 3,-0.1 -0.416 11.9-120.9 -94.7 165.7 14.6 85.9 18.3 59 51 A G > - 0 0 2 1,-0.2 3,-1.7 95,-0.2 -1,-0.1 -0.104 49.1 -39.3 -96.5-169.7 11.7 83.5 17.9 60 52 A L T 3 S+ 0 0 19 1,-0.2 -1,-0.2 48,-0.1 48,-0.2 -0.201 122.3 11.6 -54.8 141.5 8.1 83.1 18.9 61 53 A T T 3 S+ 0 0 83 46,-1.6 -1,-0.2 41,-0.3 2,-0.1 0.259 102.1 120.0 74.1 -4.3 7.2 84.1 22.5 62 54 A C < - 0 0 7 -3,-1.7 27,-0.4 45,-0.4 -1,-0.3 -0.470 42.6-168.0 -89.3 158.3 10.6 85.8 23.1 63 55 A T - 0 0 42 -2,-0.1 3,-0.4 25,-0.1 4,-0.4 -0.436 54.6 -79.6-112.8-162.5 11.5 89.3 24.0 64 56 A E S > S+ 0 0 6 1,-0.2 4,-1.2 -2,-0.2 24,-0.1 0.683 122.9 71.3 -70.9 -13.4 15.0 90.7 23.8 65 57 A Q H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.815 81.1 65.8 -76.5 -33.3 15.6 89.0 27.2 66 58 A N H > S+ 0 0 36 -3,-0.4 4,-2.4 1,-0.2 5,-0.3 0.950 106.7 39.1 -60.6 -50.5 15.7 85.4 26.2 67 59 A F H > S+ 0 0 0 -4,-0.4 4,-1.9 1,-0.2 6,-0.4 0.925 116.1 50.0 -66.5 -44.0 18.9 85.6 24.1 68 60 A I H < S+ 0 0 3 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 120.9 34.5 -71.9 -24.0 20.8 88.0 26.3 69 61 A T H < S+ 0 0 28 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.779 128.8 29.5 -95.8 -28.4 20.1 86.0 29.5 70 62 A K H < S+ 0 0 67 -4,-2.4 -3,-0.2 -5,-0.3 198,-0.2 0.610 102.9 68.2-112.0 -16.8 20.2 82.4 28.2 71 63 A S S < S- 0 0 0 -4,-1.9 200,-0.2 -5,-0.3 -3,-0.1 0.738 79.6-142.0 -80.8 -20.7 22.5 82.1 25.2 72 64 A G > + 0 0 10 -5,-0.3 3,-0.6 -4,-0.1 4,-0.4 0.736 54.5 139.3 67.6 22.2 25.8 82.7 27.0 73 65 A F T >> + 0 0 1 -6,-0.4 4,-2.1 1,-0.2 3,-1.0 0.737 45.6 77.3 -74.8 -23.4 26.9 84.6 23.9 74 66 A Q H 3> S+ 0 0 4 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.848 86.1 61.6 -63.6 -35.4 28.7 87.5 25.6 75 67 A R H <> S+ 0 0 64 -3,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.893 111.6 39.9 -50.9 -42.4 31.8 85.5 26.3 76 68 A Y H <> S+ 0 0 25 -3,-1.0 4,-2.5 -4,-0.4 -2,-0.2 0.844 110.6 55.3 -82.4 -35.6 32.2 85.0 22.6 77 69 A A H X>S+ 0 0 0 -4,-2.1 5,-1.7 2,-0.2 4,-0.8 0.882 111.1 48.1 -63.4 -35.3 31.3 88.5 21.5 78 70 A A H <5S+ 0 0 27 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.932 110.5 50.5 -67.6 -46.2 34.0 89.7 23.9 79 71 A E H <5S+ 0 0 127 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.891 120.3 35.5 -55.3 -43.9 36.5 87.2 22.5 80 72 A H H <5S- 0 0 43 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.465 104.1-128.3 -95.1 -1.6 35.8 88.3 19.0 81 73 A Q T <5 + 0 0 70 -4,-0.8 2,-0.4 -3,-0.5 -29,-0.4 0.945 56.7 142.6 51.0 58.2 35.2 92.0 19.7 82 74 A V < - 0 0 2 -5,-1.7 2,-0.3 -31,-0.1 -1,-0.2 -0.977 50.7-124.7-127.2 142.6 31.9 92.3 18.0 83 75 A I E - f 0 53A 0 -31,-2.3 -29,-2.7 -2,-0.4 2,-0.5 -0.630 25.2-158.7 -78.6 137.2 28.8 94.2 18.9 84 76 A V E -Df 41 54A 2 -43,-1.5 -43,-2.4 -2,-0.3 2,-0.5 -0.984 5.1-165.2-124.8 125.6 25.7 92.2 19.1 85 77 A V E -Df 40 55A 0 -31,-2.5 -29,-2.9 -2,-0.5 -45,-0.2 -0.934 2.1-170.3-109.0 127.0 22.2 93.7 18.9 86 78 A A E -D 39 0A 1 -47,-2.5 -47,-2.5 -2,-0.5 -29,-0.1 -0.904 12.8-167.2-118.3 96.9 19.1 91.7 20.0 87 79 A P E -D 38 0A 0 0, 0.0 -29,-0.4 0, 0.0 -49,-0.2 -0.252 27.0 -96.7 -72.6 169.3 15.9 93.4 19.0 88 80 A D - 0 0 7 -51,-0.7 -25,-0.1 -31,-0.1 -30,-0.1 -0.205 28.5-123.1 -76.4 178.8 12.4 92.5 20.2 89 81 A T S S+ 0 0 0 -27,-0.4 20,-1.8 1,-0.2 22,-0.3 0.414 79.4 2.0-112.6 -4.5 10.2 90.2 18.1 90 82 A S S S- 0 0 0 18,-0.2 -1,-0.2 17,-0.1 16,-0.1 -0.968 86.1 -76.2-164.6 165.7 7.0 92.4 17.6 91 83 A P - 0 0 0 0, 0.0 16,-0.4 0, 0.0 2,-0.3 -0.314 52.0-152.7 -61.4 162.9 5.6 95.8 18.3 92 84 A R + 0 0 54 -57,-0.4 -57,-0.4 14,-0.1 2,-0.2 -0.981 35.7 87.3-143.2 150.2 4.4 96.2 21.9 93 85 A G S > S- 0 0 27 -2,-0.3 3,-1.5 3,-0.2 13,-0.1 -0.524 75.5 -91.9 137.4 155.7 1.9 98.2 23.7 94 86 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.722 125.8 56.4 -66.8 -18.4 -1.7 98.2 24.9 95 87 A Q T 3 S+ 0 0 120 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.480 91.4 89.1 -88.6 -2.8 -2.5 100.0 21.6 96 88 A V S < S- 0 0 7 -3,-1.5 -3,-0.2 1,-0.1 10,-0.1 -0.823 86.9-112.0 -98.9 127.6 -0.9 97.2 19.6 97 89 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.177 40.6-178.6 -57.8 152.9 -3.2 94.4 18.5 98 90 A N - 0 0 88 7,-0.2 2,-0.3 -4,-0.1 7,-0.2 -0.865 20.7-151.1-143.0 172.1 -2.5 91.0 20.0 99 91 A D - 0 0 66 5,-0.5 5,-0.3 -2,-0.3 7,-0.1 -0.955 23.3-130.4-149.9 137.0 -3.8 87.4 19.9 100 92 A D S S+ 0 0 172 -2,-0.3 5,-0.1 3,-0.1 -1,-0.0 0.739 80.2 99.2 -63.1 -23.8 -3.7 85.0 22.8 101 93 A A S > S- 0 0 32 1,-0.1 3,-1.2 2,-0.1 -2,-0.2 -0.347 77.5-132.3 -62.3 143.5 -2.1 82.2 20.6 102 94 A Y T 3 S+ 0 0 115 1,-0.2 -41,-0.3 -42,-0.1 -1,-0.1 0.739 103.9 55.4 -70.0 -17.9 1.6 82.0 21.0 103 95 A D T 3 S+ 0 0 23 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.2 0.257 106.7 49.7-102.0 12.8 2.0 81.9 17.2 104 96 A L S < S+ 0 0 12 -3,-1.2 -5,-0.5 -5,-0.3 2,-0.3 -0.996 98.2 4.7-149.2 143.8 0.2 85.1 16.4 105 97 A G B > S+J 108 0B 0 3,-0.5 3,-1.6 -2,-0.3 -7,-0.2 -0.647 106.8 26.6 89.7-140.2 0.3 88.7 17.6 106 98 A Q T 3 S+ 0 0 34 -2,-0.3 -2,-0.2 1,-0.3 -45,-0.2 -0.307 130.0 17.6 -71.5 146.7 2.8 90.0 20.1 107 99 A S T 3 S+ 0 0 17 -16,-0.4 -46,-1.6 -47,-0.1 -45,-0.4 0.620 118.0 78.6 62.5 20.8 6.1 88.1 20.3 108 100 A A B < +J 105 0B 0 -3,-1.6 -3,-0.5 -48,-0.2 -18,-0.2 -0.219 43.2 137.2-148.1 48.7 5.1 86.8 16.8 109 101 A G > - 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0 0 45 -93,-1.6 -92,-0.1 2,-0.3 3,-0.1 0.195 53.9-102.7-103.7 13.8 32.4 99.9 11.3 145 137 A G E S+ 0 0 46 -94,-0.3 2,-0.3 1,-0.3 -93,-0.1 0.496 89.6 109.2 79.0 3.8 29.5 100.1 9.0 146 138 A K E + 0 0 55 -95,-0.2 -93,-1.6 136,-0.2 2,-0.3 -0.854 42.0 177.6-111.8 150.7 29.3 96.3 8.5 147 139 A R E -e 53 0A 30 -2,-0.3 24,-2.8 22,-0.2 25,-0.3 -0.992 13.6-168.4-149.0 152.6 26.7 94.0 9.8 148 140 A S E -e 54 0A 0 -95,-2.1 -93,-2.6 -2,-0.3 2,-0.3 -0.836 15.9-143.5-130.3 171.3 25.6 90.3 9.7 149 141 A I E +eg 55 173A 0 23,-2.0 25,-1.4 -2,-0.3 2,-0.3 -0.993 23.3 153.5-145.0 145.4 22.4 88.7 10.8 150 142 A M E +eg 56 174A 0 -95,-2.4 -93,-2.8 -2,-0.3 2,-0.3 -0.950 9.0 161.0-156.8 172.1 21.3 85.4 12.5 151 143 A G E -eg 57 175A 0 23,-0.7 25,-2.7 -2,-0.3 2,-0.4 -0.988 33.3 -93.7 178.7 179.9 18.5 84.1 14.6 152 144 A H E > S- g 0 176A 10 -95,-1.9 3,-2.7 -2,-0.3 2,-0.2 -0.954 74.5 -43.3-120.7 128.2 16.5 81.2 16.0 153 145 A S T 3> S+ 0 0 2 23,-2.5 4,-2.4 -2,-0.4 26,-1.6 -0.332 139.7 13.8 64.6-117.0 13.2 79.7 14.6 154 146 A M H 3> S+ 0 0 0 1,-0.2 4,-2.2 -2,-0.2 -1,-0.3 0.843 135.4 52.8 -52.8 -33.9 11.0 82.7 13.5 155 147 A G H <> S+ 0 0 0 -3,-2.7 4,-2.3 2,-0.2 -2,-0.3 0.772 105.1 51.5 -73.3 -28.8 14.2 84.7 13.9 156 148 A G H > S+ 0 0 0 -3,-0.4 4,-2.4 20,-0.3 5,-0.2 0.886 109.2 51.2 -72.3 -40.9 16.1 82.3 11.7 157 149 A H H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.952 112.2 47.8 -50.2 -52.2 13.4 82.8 9.1 158 150 A G H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.913 110.6 50.1 -61.5 -43.7 13.8 86.5 9.6 159 151 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 113.9 43.9 -62.1 -46.7 17.5 86.5 9.2 160 152 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.913 113.6 50.1 -69.8 -40.7 17.5 84.4 6.1 161 153 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.942 113.8 46.0 -60.8 -47.2 14.7 86.4 4.4 162 154 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.911 114.7 47.1 -62.3 -43.5 16.5 89.7 5.2 163 155 A A H X S+ 0 0 3 -4,-2.6 4,-1.2 -5,-0.2 7,-0.2 0.919 113.9 47.0 -65.8 -43.3 19.8 88.4 4.0 164 156 A L H < S+ 0 0 0 -4,-2.8 53,-0.3 1,-0.2 -2,-0.2 0.904 116.9 43.0 -65.6 -40.9 18.4 86.9 0.8 165 157 A R H < S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.734 119.4 41.1 -79.0 -20.8 16.4 90.0 -0.1 166 158 A N H >< S+ 0 0 35 -4,-1.5 3,-2.4 1,-0.2 -1,-0.2 0.435 74.5 178.7-117.8 2.5 19.0 92.6 0.8 167 159 A Q G >< S+ 0 0 82 -4,-1.2 3,-1.7 1,-0.3 -1,-0.2 -0.066 73.7 31.9 48.9-107.6 22.2 91.1 -0.6 168 160 A E G 3 S+ 0 0 166 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.607 103.8 79.6 -60.5 -13.7 25.1 93.6 0.1 169 161 A R G < S+ 0 0 86 -3,-2.4 2,-0.4 -6,-0.1 -1,-0.3 0.779 95.7 44.9 -62.6 -32.1 23.4 94.8 3.3 170 162 A Y < - 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0 0 45 -93,-1.4 -92,-0.1 2,-0.3 3,-0.1 0.187 53.7-105.4-100.9 12.7 32.8 59.9 43.9 421 137 B G E S+ 0 0 35 -94,-0.3 2,-0.3 1,-0.3 -93,-0.1 0.525 87.6 113.7 78.0 6.2 31.3 60.8 47.3 422 138 B K E + 0 0 79 -95,-0.2 -93,-1.7 136,-0.2 2,-0.3 -0.832 41.7 178.7-111.3 146.8 33.1 64.1 47.4 423 139 B R E -o 329 0D 18 -2,-0.3 24,-3.0 22,-0.3 25,-0.3 -0.995 16.2-169.3-148.8 153.3 31.3 67.5 47.3 424 140 B S E -o 330 0D 0 -95,-2.4 -93,-2.5 -2,-0.3 2,-0.3 -0.832 16.6-144.5-132.5 170.5 31.9 71.2 47.3 425 141 B I E +oq 331 449D 0 23,-1.8 25,-1.6 -2,-0.3 2,-0.3 -0.995 22.9 153.2-146.9 144.5 29.4 74.1 47.7 426 142 B M E +oq 332 450D 0 -95,-2.4 -93,-2.6 -2,-0.3 2,-0.3 -0.950 9.5 160.9-155.7 172.4 28.9 77.6 46.5 427 143 B G E -oq 333 451D 0 23,-0.6 25,-2.7 -2,-0.3 2,-0.4 -0.988 33.4 -92.4 179.0 179.8 26.1 80.1 45.9 428 144 B H E > S- q 0 452D 10 -95,-2.0 3,-2.7 -2,-0.3 2,-0.3 -0.966 73.0 -44.8-120.5 125.9 24.9 83.6 45.4 429 145 B S T 3> S+ 0 0 2 23,-2.1 4,-2.5 -2,-0.4 26,-1.5 -0.364 140.2 14.3 66.6-114.7 23.6 86.1 48.0 430 146 B M H 3> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.858 136.2 51.6 -54.0 -33.1 21.2 84.2 50.3 431 147 B G H <> S+ 0 0 0 -3,-2.7 4,-2.5 2,-0.2 -2,-0.3 0.782 105.6 52.0 -75.4 -27.0 22.9 81.2 48.6 432 148 B G H > S+ 0 0 0 -3,-0.2 4,-2.3 20,-0.2 5,-0.2 0.893 109.5 50.0 -73.3 -42.1 26.4 82.5 49.3 433 149 B H H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.942 112.6 49.4 -52.0 -50.7 25.3 82.9 53.0 434 150 B G H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.919 109.8 48.7 -60.3 -47.2 24.0 79.3 52.8 435 151 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.930 114.5 44.9 -60.4 -46.3 27.2 77.8 51.2 436 152 B L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.913 113.3 49.7 -69.0 -39.8 29.5 79.5 53.7 437 153 B V H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.942 113.3 46.6 -63.9 -46.3 27.4 78.6 56.7 438 154 B L H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.908 114.5 47.0 -62.1 -42.0 27.1 75.0 55.6 439 155 B A H < S+ 0 0 2 -4,-2.5 7,-0.2 -5,-0.2 -2,-0.2 0.911 114.8 45.7 -67.7 -40.6 30.8 74.7 54.9 440 156 B L H < S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.2 53,-0.3 0.875 115.3 45.5 -69.8 -37.3 31.8 76.3 58.2 441 157 B R H < S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.675 124.8 33.7 -81.3 -18.6 29.4 74.3 60.4 442 158 B N S >X S+ 0 0 35 -4,-1.1 3,-1.4 -5,-0.2 4,-0.7 -0.527 70.1 168.5-138.3 67.2 30.4 71.0 58.6 443 159 B Q G >4 S+ 0 0 104 -3,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.860 74.4 48.8 -56.4 -46.5 34.0 71.3 57.7 444 160 B E G 34 S+ 0 0 189 1,-0.2 -1,-0.3 3,-0.0 -5,-0.1 0.649 100.6 66.9 -70.8 -16.5 34.6 67.7 56.7 445 161 B R G <4 S+ 0 0 84 -3,-1.4 2,-0.4 -7,-0.2 -22,-0.3 0.759 98.6 52.5 -76.4 -26.0 31.6 67.5 54.4 446 162 B Y << - 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