==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-11 3QN3 . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR J.OSIPIUK,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 1660 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1203 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 95 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 530 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.7 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 4 0 8 0 8 2 2 4 5 10 4 0 1 0 2 2 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 10 6 10 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 . 8 4 4 4 4 4 0 0 4 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 . 2 8 0 0 0 0 0 0 2 0 2 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 0 A A 0 0 101 0, 0.0 3,-0.1 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 131.4 43.4 -15.9 2.4 2 1 A M - 0 0 137 1,-0.3 2,-0.3 0, 0.0 81,-0.0 0.982 360.0 -0.3 -66.0 -78.1 40.0 -14.2 2.9 3 2 A L S S- 0 0 31 27,-0.0 81,-2.5 25,-0.0 82,-0.4 -0.774 76.5-153.3-105.7 156.7 40.7 -12.3 6.1 4 3 A V B -A 83 0A 37 -2,-0.3 25,-2.3 79,-0.3 2,-0.5 -0.857 28.9 -93.0-126.0 163.1 44.0 -12.4 7.9 5 4 A I E +B 28 0B 2 77,-2.1 76,-2.8 74,-0.3 23,-0.2 -0.653 43.3 172.4 -73.9 124.5 45.2 -11.9 11.5 6 5 A E E + 0 0 110 21,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.646 59.7 13.4-109.4 -29.0 46.1 -8.3 11.8 7 6 A D E -B 27 0B 69 20,-1.9 20,-2.8 72,-0.1 2,-0.4 -0.969 54.1-172.5-153.7 141.0 46.8 -7.8 15.5 8 7 A V E +B 26 0B 5 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -1.000 18.3 158.0-132.5 130.5 47.3 -10.0 18.6 9 8 A R E -B 25 0B 66 16,-2.8 16,-2.9 -2,-0.4 2,-0.3 -0.991 15.9-169.6-147.5 160.6 47.5 -8.8 22.1 10 9 A A E +B 24 0B 4 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.938 4.0 179.8-140.5 163.9 47.1 -10.0 25.7 11 10 A Y E -B 23 0B 7 12,-2.2 12,-2.2 -2,-0.3 2,-0.3 -0.971 37.5 -88.0-155.4 162.7 47.0 -8.5 29.2 12 11 A E E +B 22 0B 5 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.605 47.9 162.5 -76.4 128.1 46.6 -9.6 32.8 13 12 A V E -B 21 0B 2 8,-2.4 8,-2.2 -2,-0.3 2,-0.4 -0.708 37.9 -95.6-126.3-175.5 43.0 -10.0 34.2 14 13 A L E -B 20 0B 3 796,-0.3 800,-0.1 6,-0.2 2,-0.1 -0.901 24.9-142.0-109.8 137.8 41.7 -11.8 37.2 15 14 A D > - 0 0 0 4,-3.2 3,-1.9 -2,-0.4 351,-0.2 -0.262 43.9 -86.4 -81.3 178.8 40.1 -15.3 37.4 16 15 A S T 3 S+ 0 0 0 349,-3.2 790,-2.9 1,-0.3 350,-0.1 0.493 127.2 52.2 -70.8 -7.5 37.2 -16.1 39.6 17 16 A R T 3 S- 0 0 85 348,-0.2 -1,-0.3 788,-0.2 787,-0.1 0.335 122.2-100.2-105.4 4.5 39.4 -16.9 42.6 18 17 A G S < S+ 0 0 8 -3,-1.9 -2,-0.1 1,-0.3 585,-0.1 0.612 81.7 127.7 86.7 15.4 41.3 -13.6 42.5 19 18 A N - 0 0 35 1,-0.1 -4,-3.2 44,-0.0 -1,-0.3 -0.769 64.3-101.6-101.2 148.1 44.4 -14.9 40.7 20 19 A P E +B 14 0B 1 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.270 46.3 165.3 -61.0 151.0 45.8 -13.4 37.6 21 20 A T E -B 13 0B 0 -8,-2.2 -8,-2.4 19,-0.1 2,-0.4 -0.917 36.3 -83.9-155.7 177.2 45.2 -15.0 34.2 22 21 A V E -B 12 0B 0 -2,-0.3 16,-2.5 16,-0.2 2,-0.5 -0.770 26.7-171.9 -99.0 130.6 45.5 -14.2 30.5 23 22 A K E -BC 11 37B 31 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.3 -0.995 15.0-167.7-112.1 130.2 43.0 -12.4 28.4 24 23 A A E -BC 10 36B 0 12,-2.5 12,-2.3 -2,-0.5 2,-0.4 -0.852 7.2-165.1-117.2 152.6 43.9 -12.3 24.7 25 24 A E E -BC 9 35B 41 -16,-2.9 -16,-2.8 -2,-0.3 2,-0.4 -0.998 1.5-165.7-144.5 129.8 42.4 -10.3 21.9 26 25 A V E -BC 8 34B 0 8,-2.9 8,-2.3 -2,-0.4 2,-0.4 -0.978 2.1-163.6-123.6 128.9 42.8 -10.8 18.1 27 26 A T E -BC 7 33B 25 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.9 -0.940 10.8-150.6-113.9 135.1 41.9 -8.3 15.4 28 27 A L E > -B 5 0B 0 4,-2.7 3,-2.3 -2,-0.4 -23,-0.2 -0.524 33.2 -95.3-101.5 171.4 41.4 -9.4 11.8 29 28 A S T 3 S+ 0 0 47 -25,-2.3 -24,-0.1 1,-0.3 -1,-0.0 0.521 124.0 53.3 -67.6 -6.7 42.0 -7.4 8.6 30 29 A D T 3 S- 0 0 77 -26,-0.2 -1,-0.3 2,-0.1 -27,-0.0 0.335 122.8-105.1 -98.1 1.0 38.3 -6.4 8.3 31 30 A G < + 0 0 48 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.454 70.0 149.7 87.8 4.0 38.5 -5.0 11.9 32 31 A S - 0 0 20 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.487 31.4-153.8 -71.3 140.0 36.6 -7.9 13.5 33 32 A V E -C 27 0B 73 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.933 16.4-179.2-118.9 139.7 37.7 -8.4 17.1 34 33 A G E -C 26 0B 5 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.3 -0.985 6.9-175.7-129.0 144.2 37.5 -11.6 19.2 35 34 A A E -C 25 0B 29 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.976 2.7-178.5-136.1 156.5 38.7 -12.0 22.9 36 35 A A E -C 24 0B 0 -12,-2.3 -12,-2.5 -2,-0.3 2,-0.4 -0.995 18.1-141.8-153.4 150.4 39.0 -14.8 25.3 37 36 A I E -C 23 0B 6 -2,-0.3 -14,-0.2 -14,-0.2 333,-0.2 -0.940 21.1-135.9-113.3 136.5 40.0 -15.4 28.9 38 37 A V - 0 0 0 -16,-2.5 -16,-0.2 -2,-0.4 2,-0.1 -0.735 15.0-131.5 -91.6 129.8 41.9 -18.5 29.9 39 38 A P - 0 0 16 0, 0.0 326,-0.2 0, 0.0 -17,-0.1 -0.349 40.1 -84.3 -71.8 163.9 40.9 -20.5 33.0 40 39 A S + 0 0 13 324,-2.6 324,-0.3 1,-0.1 323,-0.2 -0.384 53.0 166.4 -78.2 148.0 43.6 -21.4 35.5 41 40 A G - 0 0 20 -2,-0.1 2,-0.4 321,-0.1 -1,-0.1 -0.199 40.9 -60.8-131.3-142.8 45.8 -24.6 35.0 42 41 A A B -d 50 0C 23 7,-0.5 9,-3.0 -2,-0.1 3,-0.0 -0.963 25.0-169.5-120.3 137.2 48.9 -26.1 36.4 43 42 A S S S+ 0 0 46 -2,-0.4 2,-0.3 7,-0.3 10,-0.2 0.449 79.7 39.9-101.3 -7.4 52.4 -24.5 36.2 44 43 A T S S+ 0 0 109 5,-0.1 2,-0.1 8,-0.1 7,-0.1 -0.896 73.8 91.7-132.8 166.9 54.1 -27.6 37.4 45 44 A G - 0 0 46 -2,-0.3 5,-0.0 1,-0.1 -3,-0.0 -0.320 60.9-116.7 119.8 158.3 53.6 -31.4 36.7 46 45 A S S S+ 0 0 127 -2,-0.1 -1,-0.1 1,-0.1 4,-0.0 0.401 102.1 40.1-112.4 -0.5 55.0 -33.9 34.2 47 46 A K S S+ 0 0 69 2,-0.1 -2,-0.1 55,-0.0 -1,-0.1 0.750 99.6 69.3-114.2 -47.1 51.9 -35.0 32.3 48 47 A E S S- 0 0 34 1,-0.1 2,-0.2 -4,-0.1 289,-0.1 -0.301 88.9 -94.9 -79.4 156.8 49.7 -31.9 31.6 49 48 A A - 0 0 7 287,-2.5 -7,-0.5 263,-0.3 2,-0.4 -0.533 52.8-126.5 -67.9 136.6 50.3 -28.8 29.4 50 49 A L B -d 42 0C 24 52,-2.7 58,-2.8 -2,-0.2 2,-0.3 -0.728 12.1-144.1 -98.6 138.3 51.8 -26.2 31.6 51 50 A E - 0 0 14 -9,-3.0 2,-0.4 -2,-0.4 56,-0.1 -0.747 26.0-120.2 -89.3 145.2 50.7 -22.6 32.3 52 51 A L - 0 0 41 -2,-0.3 2,-0.3 54,-0.1 15,-0.2 -0.725 30.2-178.0 -88.2 131.1 53.4 -20.0 32.8 53 52 A R - 0 0 17 -2,-0.4 11,-0.2 -10,-0.2 9,-0.1 -0.952 28.3-134.4-124.4 150.3 53.5 -18.2 36.1 54 53 A D - 0 0 7 9,-2.5 8,-0.2 -2,-0.3 10,-0.1 0.789 20.8-154.3 -78.4 -28.9 56.0 -15.4 37.0 55 54 A N + 0 0 126 6,-2.3 2,-0.2 8,-0.3 7,-0.1 0.876 50.9 123.6 54.2 41.9 56.8 -16.7 40.5 56 55 A D S >S- 0 0 53 2,-0.3 5,-0.7 7,-0.0 -1,-0.2 -0.570 82.4 -75.7-118.0-169.8 57.8 -13.2 41.6 57 56 A E T > 5S+ 0 0 151 -2,-0.2 3,-0.7 3,-0.1 2,-0.3 0.634 100.1 95.7 -63.6 -18.9 56.7 -10.8 44.4 58 57 A R G >>>S- 0 0 23 1,-0.2 3,-1.7 2,-0.1 5,-0.7 -0.581 99.7 -9.1 -78.7 137.8 53.4 -9.9 42.6 59 58 A F G >45S- 0 0 17 -2,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.862 123.5 -64.0 52.5 37.2 50.2 -11.7 43.4 60 59 A G G <45S- 0 0 61 -3,-0.7 -1,-0.3 1,-0.3 -3,-0.1 0.795 102.7 -47.3 56.7 32.5 52.0 -14.3 45.5 61 60 A G G <4 + 0 0 0 -11,-0.2 4,-2.4 -43,-0.2 5,-0.2 -0.024 54.7 121.5-124.0 29.5 51.1 -14.0 34.1 65 64 A L H > S+ 0 0 69 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.851 75.0 52.9 -64.5 -32.9 53.2 -11.2 32.7 66 65 A K H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 110.6 46.8 -67.7 -43.5 55.6 -13.7 30.9 67 66 A A H > S+ 0 0 0 -15,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.931 113.7 49.4 -57.4 -45.9 52.6 -15.5 29.3 68 67 A V H >X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 3,-0.5 0.958 110.4 49.5 -64.2 -46.4 51.2 -12.0 28.3 69 68 A A H 3X>S+ 0 0 36 -4,-3.0 4,-2.5 1,-0.3 5,-0.6 0.893 105.7 58.4 -57.9 -39.2 54.6 -11.0 26.8 70 69 A N H 3<>S+ 0 0 30 -4,-2.5 5,-3.1 1,-0.2 6,-0.3 0.860 110.3 43.0 -59.3 -35.5 54.7 -14.3 25.0 71 70 A V H <<>S+ 0 0 0 -4,-1.6 5,-1.9 -3,-0.5 -2,-0.2 0.947 116.6 46.3 -71.6 -47.1 51.4 -13.3 23.3 72 71 A N H <5S+ 0 0 64 -4,-2.8 -2,-0.2 3,-0.1 -3,-0.2 0.782 130.8 14.7 -67.1 -31.2 52.4 -9.7 22.6 73 72 A E T X5S+ 0 0 126 -4,-2.5 4,-2.3 -5,-0.2 -3,-0.2 0.813 130.0 31.1-108.6 -70.7 55.9 -10.5 21.2 74 73 A T H >>< S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.1 -74,-0.3 0.575 78.0 114.8-100.1 -6.8 50.8 -15.4 13.5 80 79 A L T 3< S+ 0 0 80 -4,-1.7 -74,-0.2 -5,-0.3 -72,-0.0 -0.450 85.4 22.2 -63.4 128.5 50.3 -11.9 12.0 81 80 A G T 3 S+ 0 0 48 -76,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.290 89.7 133.0 97.5 -9.2 49.2 -12.5 8.4 82 81 A L S < S- 0 0 37 -3,-2.1 -77,-2.1 -77,-0.1 -1,-0.3 -0.434 72.0 -87.8 -71.4 149.3 47.9 -16.0 8.8 83 82 A D B > -A 4 0A 45 -79,-0.2 3,-1.1 1,-0.2 -79,-0.3 -0.427 33.0-143.9 -58.0 117.1 44.4 -16.9 7.3 84 83 A A T 3 S+ 0 0 0 -81,-2.5 38,-0.2 -2,-0.2 -1,-0.2 0.741 95.6 52.2 -51.1 -27.1 41.9 -16.1 10.0 85 84 A F T 3 S+ 0 0 43 -82,-0.4 2,-1.3 1,-0.2 -1,-0.2 0.557 83.8 86.2 -99.4 -8.2 39.7 -19.1 9.0 86 85 A N <> + 0 0 60 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 -0.649 48.0 167.5 -96.9 77.6 42.3 -21.9 9.2 87 86 A Q H > S+ 0 0 18 -2,-1.3 4,-3.1 2,-0.2 254,-0.2 0.864 74.2 55.5 -54.2 -41.7 42.1 -22.7 12.8 88 87 A T H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.6 46.8 -64.7 -45.9 44.1 -25.9 12.4 89 88 A Q H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.825 112.8 51.2 -60.9 -38.7 47.0 -24.1 10.8 90 89 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.983 114.0 42.7 -61.9 -52.7 46.8 -21.5 13.6 91 90 A D H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.863 114.0 50.5 -66.8 -33.6 46.9 -24.1 16.3 92 91 A D H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 108.9 52.7 -70.2 -41.1 49.6 -26.1 14.6 93 92 A T H X S+ 0 0 29 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.888 108.2 51.3 -57.5 -42.1 51.7 -23.0 14.2 94 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.944 110.3 48.7 -60.8 -46.0 51.4 -22.4 17.9 95 94 A R H X S+ 0 0 88 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.897 115.2 44.5 -60.0 -44.7 52.5 -25.9 18.8 96 95 A E H < S+ 0 0 129 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.858 111.2 52.4 -67.6 -44.2 55.5 -25.6 16.4 97 96 A L H < S+ 0 0 41 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.936 113.0 45.8 -56.5 -45.6 56.4 -22.2 17.7 98 97 A D H < S- 0 0 6 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.942 88.3-167.4 -62.7 -50.9 56.3 -23.6 21.2 99 98 A G < + 0 0 63 -4,-2.8 2,-0.2 1,-0.3 -3,-0.1 0.385 48.2 96.8 81.7 -4.9 58.3 -26.7 20.2 100 99 A T S S- 0 0 48 -5,-0.3 -1,-0.3 1,-0.0 3,-0.2 -0.568 79.5-119.6-103.9 175.8 57.8 -28.8 23.4 101 100 A N S S+ 0 0 155 -2,-0.2 -6,-0.0 1,-0.2 -2,-0.0 0.333 110.3 35.3 -97.0 8.6 55.2 -31.5 24.0 102 101 A N S S- 0 0 31 -7,-0.1 -52,-2.7 -53,-0.1 6,-0.3 0.103 109.4-104.7-146.9 25.6 53.6 -29.5 26.9 103 102 A Y > + 0 0 5 -3,-0.2 4,-1.1 -54,-0.2 5,-0.2 0.816 67.6 147.4 53.6 34.9 53.7 -25.8 26.1 104 103 A S T 4 + 0 0 68 3,-0.1 -1,-0.1 2,-0.1 -53,-0.0 0.497 69.8 47.3 -85.5 1.7 56.6 -25.3 28.5 105 104 A N T 4 S+ 0 0 75 -55,-0.0 -1,-0.1 -53,-0.0 -7,-0.1 0.816 127.1 18.0 -90.2 -75.4 58.0 -22.5 26.3 106 105 A L T 4 S- 0 0 0 -12,-0.1 -36,-0.2 1,-0.1 4,-0.1 0.830 107.1-122.8 -65.1 -37.8 55.0 -20.2 25.3 107 106 A G >X - 0 0 1 -4,-1.1 4,-1.9 3,-0.1 3,-0.8 0.338 10.8-109.5 94.3 134.3 52.8 -21.5 28.1 108 107 A A H 3> S+ 0 0 2 -58,-2.8 4,-2.2 -6,-0.3 5,-0.3 0.694 119.0 61.5 -67.5 -25.8 49.4 -23.0 27.6 109 108 A N H 3> S+ 0 0 1 -59,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.809 107.6 45.8 -67.3 -28.7 47.8 -19.9 29.1 110 109 A A H <> S+ 0 0 0 -3,-0.8 4,-1.2 -4,-0.1 -2,-0.2 0.906 117.4 42.2 -75.7 -43.5 49.4 -17.9 26.2 111 110 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.920 111.0 52.2 -79.3 -39.9 48.4 -20.4 23.4 112 111 A L H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.913 107.5 53.0 -60.8 -43.0 44.8 -21.2 24.5 113 112 A G H X S+ 0 0 0 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.2 0.903 111.9 43.8 -62.1 -41.0 43.8 -17.6 24.7 114 113 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.904 113.1 52.7 -69.4 -40.5 45.0 -16.8 21.2 115 114 A S H X S+ 0 0 0 -4,-2.5 4,-1.6 223,-0.2 -2,-0.2 0.916 115.9 40.6 -57.3 -48.4 43.5 -20.0 19.9 116 115 A M H X S+ 0 0 7 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.885 114.0 51.5 -66.8 -42.0 40.1 -19.1 21.4 117 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -91,-0.2 0.866 107.9 52.8 -68.1 -36.7 40.3 -15.4 20.5 118 117 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.928 108.9 50.2 -66.5 -44.6 41.1 -16.1 16.9 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<> - 0 0 27 -3,-2.3 4,-3.1 1,-0.1 5,-0.2 -0.781 45.8-152.9-102.4 121.8 45.6 -35.7 26.1 315 314 A E H > S+ 0 0 28 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.863 95.3 47.6 -57.1 -46.6 45.0 -37.5 22.8 316 315 A D H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 113.9 45.9 -61.7 -45.1 48.0 -39.9 23.2 317 316 A I H > S+ 0 0 50 -6,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.921 114.6 49.2 -68.6 -40.9 47.2 -40.8 26.8 318 317 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 -7,-0.3 -2,-0.2 0.900 105.8 57.5 -62.3 -40.3 43.6 -41.3 25.8 319 318 A R H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.932 108.1 46.1 -57.2 -47.8 44.6 -43.5 22.8 320 319 A E H X S+ 0 0 101 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.911 110.0 55.1 -60.5 -43.0 46.5 -45.9 25.1 321 320 A G H X>S+ 0 0 4 -4,-2.1 5,-2.4 2,-0.2 4,-0.5 0.919 108.4 47.9 -54.5 -47.3 43.5 -45.9 27.5 322 321 A I H ><5S+ 0 0 33 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.931 111.9 49.8 -58.6 -48.1 41.2 -46.9 24.7 323 322 A I H 3<5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.922 116.0 42.0 -59.5 -46.0 43.5 -49.6 23.6 324 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-72.9 -43.0 25.5 7.7 71.1 680 263 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.914 107.9 54.3 -59.7 -40.1 26.0 5.8 67.9 681 264 B I H X S+ 0 0 5 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.941 107.5 49.6 -56.2 -46.9 27.5 9.0 66.4 682 265 B E H X S+ 0 0 92 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.875 106.4 56.6 -62.5 -36.6 29.9 9.2 69.3 683 266 B R H X S+ 0 0 46 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.920 106.9 49.0 -58.7 -42.2 30.8 5.5 68.6 684 267 B Y H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.865 108.8 52.7 -67.2 -32.8 31.7 6.5 65.0 685 268 B V H X S+ 0 0 45 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.916 110.8 48.5 -65.3 -43.8 33.9 9.4 66.2 686 269 B E H >X S+ 0 0 123 -4,-2.2 4,-1.5 2,-0.2 3,-0.5 0.952 113.5 45.1 -60.3 -54.9 35.7 6.9 68.5 687 270 B L H 3X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 6,-0.2 0.892 111.6 53.2 -57.1 -42.8 36.2 4.4 65.8 688 271 B C H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.769 107.1 52.5 -67.8 -25.4 37.4 7.1 63.4 689 272 B A H << S+ 0 0 79 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.842 117.2 37.6 -74.9 -34.4 40.0 8.3 65.9 690 273 B K H < S+ 0 0 147 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.1 0.757 119.3 38.5 -90.5 -29.8 41.5 4.8 66.3 691 274 B Y S < S- 0 0 16 -4,-2.4 2,-2.4 -5,-0.2 -1,-0.1 -0.924 84.9-107.7-125.9 152.7 41.3 3.3 62.8 692 275 B P + 0 0 46 0, 0.0 -39,-2.8 0, 0.0 2,-0.5 -0.380 54.2 161.3 -77.7 63.6 41.9 4.7 59.3 693 276 B I E +a 653 0J 10 -2,-2.4 -39,-0.2 -6,-0.2 3,-0.1 -0.762 14.2 175.2 -82.3 123.5 38.2 4.7 58.4 694 277 B C E + 0 0 28 -41,-2.7 26,-2.5 -2,-0.5 2,-0.3 0.571 62.3 24.9-102.1 -12.3 37.6 7.0 55.4 695 278 B S E -ab 654 720J 1 -42,-0.8 -40,-2.5 24,-0.2 2,-0.4 -0.996 52.5-167.4-157.0 142.3 34.0 6.2 54.8 696 279 B I E -ab 655 721J 1 24,-2.3 26,-1.6 -2,-0.3 2,-0.4 -0.964 11.8-156.7-139.1 127.2 30.8 5.0 56.4 697 280 B E E S-ab 656 722J 1 -42,-2.4 -40,-2.0 -2,-0.4 -39,-1.0 -0.832 74.2 -7.9-107.3 131.1 27.6 4.0 54.7 698 281 B D S S+ 0 0 0 24,-2.3 -39,-2.5 -2,-0.4 -1,-0.2 0.861 71.0 163.1 54.0 45.0 24.2 4.1 56.3 699 282 B G S S+ 0 0 0 -3,-0.4 2,-0.3 23,-0.2 -1,-0.1 0.740 71.4 32.7 -61.3 -27.1 25.7 4.8 59.8 700 283 B L S S- 0 0 0 1,-0.1 -40,-0.3 -20,-0.0 -41,-0.2 -0.875 104.8 -82.6-130.5 165.1 22.2 5.9 60.8 701 284 B A > - 0 0 0 -2,-0.3 3,-1.4 -42,-0.2 7,-0.2 -0.156 35.6-109.1 -77.5 164.7 18.9 4.6 59.6 702 285 B E T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.0 0.677 118.4 34.5 -67.1 -21.8 16.9 5.5 56.5 703 286 B N T 3 S+ 0 0 90 1,-0.1 2,-1.6 2,-0.0 -1,-0.3 0.256 86.1 103.8-114.9 10.0 14.2 7.4 58.4 704 287 B D <> + 0 0 14 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 -0.498 41.4 160.2 -89.6 68.4 16.4 8.9 61.2 705 288 B F H > + 0 0 97 -2,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.873 69.2 49.0 -66.4 -38.0 16.4 12.3 59.6 706 289 B E H > S+ 0 0 123 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.7 52.0 -67.7 -42.6 17.4 14.2 62.7 707 290 B G H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.924 107.5 50.8 -60.7 -47.8 20.2 11.8 63.4 708 291 B W H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 35,-0.5 0.887 106.2 56.2 -56.2 -42.0 21.8 12.1 59.9 709 292 B I H X S+ 0 0 59 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.948 113.2 40.8 -57.6 -47.6 21.7 15.9 60.2 710 293 B K H X S+ 0 0 99 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.893 112.4 55.5 -63.7 -46.4 23.8 15.6 63.4 711 294 B L H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.4 0.931 108.7 47.9 -52.2 -45.9 26.0 12.8 62.0 712 295 B T H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.881 110.5 50.6 -70.5 -40.2 26.9 15.0 59.0 713 296 B E H < S+ 0 0 147 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.934 115.7 43.0 -57.3 -47.8 27.7 18.1 61.2 714 297 B K H < S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.887 136.5 7.8 -71.8 -40.3 30.0 16.0 63.4 715 298 B L H >X S+ 0 0 5 -4,-2.6 4,-2.9 -5,-0.2 3,-2.2 0.514 95.8 98.8-121.6 -8.4 31.9 13.9 60.8 716 299 B G T 3< S+ 0 0 18 -4,-2.1 5,-0.1 -5,-0.4 -3,-0.1 0.669 89.8 47.0 -61.8 -24.4 31.0 15.2 57.4 717 300 B N T 34 S+ 0 0 168 -4,-0.3 -1,-0.3 -5,-0.2 3,-0.1 0.399 119.2 42.1 -88.1 -7.7 34.2 17.3 57.1 718 301 B K T <4 S+ 0 0 129 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.763 120.5 13.9-106.8 -40.2 36.3 14.4 58.3 719 302 B I S < S- 0 0 10 -4,-2.9 -1,-0.3 -23,-0.0 2,-0.3 -0.913 79.8 -93.6-137.5 163.6 35.0 11.4 56.5 720 303 B Q E -b 695 0J 23 -26,-2.5 -24,-2.3 -2,-0.3 2,-0.5 -0.586 32.7-163.1 -76.2 135.8 32.8 10.3 53.7 721 304 B L E -b 696 0J 0 -2,-0.3 23,-2.4 -26,-0.2 24,-1.3 -0.936 10.5-159.9-125.8 106.3 29.2 9.6 54.8 722 305 B V E -bc 697 745J 1 -26,-1.6 -24,-2.3 -2,-0.5 2,-0.6 -0.743 9.9-148.8 -99.6 121.5 27.3 7.6 52.2 723 306 B G E + c 0 746J 0 22,-2.6 24,-2.7 -2,-0.5 6,-0.2 -0.800 33.1 150.1 -80.0 124.0 23.5 7.3 51.9 724 307 B D S >> S+ 0 0 6 -2,-0.6 4,-2.4 22,-0.2 3,-1.0 0.576 83.1 19.2-109.9 -81.4 22.4 3.9 50.5 725 308 B D T 34 S+ 0 0 34 1,-0.2 -2,-0.1 2,-0.2 -24,-0.0 0.766 122.1 66.5 -61.9 -23.2 19.0 3.1 51.9 726 309 B L T 34 S+ 0 0 3 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.851 119.1 15.4 -63.1 -39.6 18.6 6.8 52.7 727 310 B F T X4 S- 0 0 0 -3,-1.0 3,-2.8 20,-0.1 7,-0.3 0.617 77.6-155.3-113.7 -20.9 18.5 7.9 49.0 728 311 B V T 3< - 0 0 3 -4,-2.4 -263,-0.2 1,-0.3 -3,-0.1 0.794 68.8 -70.1 37.2 47.0 17.8 4.8 47.0 729 312 B T T 3 S+ 0 0 1 18,-0.5 2,-0.6 -5,-0.3 -1,-0.3 0.634 97.2 146.7 55.1 18.0 19.5 6.3 43.9 730 313 B N <> - 0 0 26 -3,-2.8 4,-2.7 1,-0.1 5,-0.2 -0.735 45.9-152.4 -98.1 120.1 16.5 8.7 43.7 731 314 B E H > S+ 0 0 27 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.880 95.1 47.0 -53.7 -48.5 17.0 12.2 42.5 732 315 B D H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 113.9 46.5 -65.8 -41.0 14.1 13.8 44.4 733 316 B I H > S+ 0 0 50 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 113.1 50.5 -69.6 -38.6 15.0 12.1 47.7 734 317 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 -7,-0.3 -2,-0.2 0.890 105.7 57.2 -63.7 -38.2 18.7 13.1 47.2 735 318 B R H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.946 107.9 45.9 -59.1 -48.5 17.6 16.7 46.5 736 319 B E H X S+ 0 0 91 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.884 112.1 52.2 -63.7 -39.0 15.8 16.9 49.9 737 320 B G H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 4,-0.4 0.899 108.5 50.3 -58.3 -42.6 18.8 15.3 51.6 738 321 B I H ><5S+ 0 0 20 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.942 111.7 48.4 -61.7 -47.3 21.1 17.9 50.0 739 322 B I H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.891 115.4 42.8 -60.9 -43.4 18.9 20.8 51.2 740 323 B K T 3<5S- 0 0 118 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.327 114.5-115.5 -89.4 6.1 18.7 19.4 54.8 741 324 B K T < 5 + 0 0 158 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.936 56.0 158.0 62.0 52.3 22.4 18.6 54.9 742 325 B M < - 0 0 15 -5,-2.4 -1,-0.2 -8,-0.2 -33,-0.1 -0.941 54.4 -24.8-108.4 121.9 22.3 14.8 55.2 743 326 B A - 0 0 3 -2,-0.5 -21,-0.2 -35,-0.5 3,-0.1 0.116 54.5-125.6 70.6 173.0 25.4 12.8 54.2 744 327 B N S S+ 0 0 30 -23,-2.4 28,-2.2 1,-0.2 2,-0.3 0.206 85.0 41.9-138.6 15.7 28.0 13.9 51.7 745 328 B A E -cd 722 772J 0 -24,-1.3 -22,-2.6 26,-0.3 2,-0.4 -0.971 63.2-149.2-158.6 154.2 28.0 10.9 49.3 746 329 B V E -cd 723 773J 0 26,-2.3 28,-2.2 -2,-0.3 2,-0.3 -0.997 17.7-127.5-133.6 131.1 25.3 8.6 47.6 747 330 B L E - d 0 774J 1 -24,-2.7 2,-0.7 -2,-0.4 -18,-0.5 -0.633 25.4-143.9 -72.4 137.0 25.5 5.0 46.5 748 331 B I E + d 0 775J 0 26,-3.3 28,-2.8 -2,-0.3 -24,-0.0 -0.891 26.7 168.4-110.7 107.5 24.5 4.6 42.9 749 332 B K >> - 0 0 23 -2,-0.7 3,-2.0 26,-0.2 4,-0.5 -0.874 17.6-162.8-118.4 96.8 22.5 1.5 42.1 750 333 B P H >> S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 3,-1.3 0.792 87.3 55.1 -53.6 -35.1 21.1 1.9 38.5 751 334 B N H 34 S+ 0 0 8 1,-0.3 -223,-0.1 2,-0.2 -294,-0.1 0.716 96.7 66.9 -73.4 -17.2 18.4 -0.9 38.9 752 335 B Q H <4 S+ 0 0 2 -3,-2.0 -287,-2.1 1,-0.1 -1,-0.3 0.691 114.0 29.5 -72.4 -20.1 17.1 0.8 42.0 753 336 B I H << S- 0 0 19 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.704 104.1-130.8-116.6 -33.7 15.9 3.7 39.8 754 337 B G < + 0 0 0 -4,-2.8 2,-0.3 -289,-0.1 -223,-0.2 0.191 69.2 52.4 113.8 -17.8 15.3 1.9 36.5 755 338 B T S > S- 0 0 0 -5,-0.3 4,-1.7 -224,-0.1 -227,-0.1 -0.971 72.1-122.6-140.0 163.1 16.9 3.7 33.5 756 339 B I H > S+ 0 0 0 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.872 112.6 54.7 -69.8 -37.6 20.4 5.0 32.7 757 340 B T H > S+ 0 0 5 -254,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 107.8 47.7 -63.8 -45.8 19.1 8.5 32.2 758 341 B Q H > S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 111.3 52.7 -65.5 -33.9 17.5 8.7 35.6 759 342 B T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.966 109.0 49.2 -63.4 -47.4 20.8 7.3 37.1 760 343 B M H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.858 107.6 55.0 -57.1 -40.6 22.7 10.1 35.3 761 344 B R H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.886 108.9 47.4 -59.4 -44.0 20.3 12.7 36.7 762 345 B T H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.931 113.4 48.1 -68.1 -42.7 20.9 11.5 40.2 763 346 B V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.937 110.8 50.4 -63.3 -41.2 24.6 11.5 39.7 764 347 B R H X S+ 0 0 13 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.903 110.5 50.6 -66.2 -39.5 24.6 15.0 38.1 765 348 B L H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.909 112.3 46.8 -58.0 -45.7 22.6 16.4 41.0 766 349 B A H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-1.3 0.947 111.9 49.2 -66.9 -43.9 25.0 15.0 43.5 767 350 B Q H ><5S+ 0 0 65 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.759 106.7 56.2 -70.4 -26.3 28.1 16.2 41.6 768 351 B R H 3<5S+ 0 0 47 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.618 112.3 44.6 -73.2 -15.8 26.7 19.8 41.3 769 352 B N T <<5S- 0 0 33 -3,-1.3 -1,-0.2 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