==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-NOV-10 3PHG . COMPND 2 MOLECULE: SHIKIMATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR W.C.CHENG,S.C.LIN,W.C.WANG . 513 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 30 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 2 4 5 0 1 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 1 5 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 1 A M 0 0 145 0, 0.0 2,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 155.1 0.8 -24.6 32.2 2 2 A K - 0 0 127 32,-0.3 34,-3.2 1,-0.0 2,-0.3 -0.728 360.0-138.7 -73.0 139.4 -1.6 -22.3 33.9 3 3 A L E -a 36 0A 106 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.800 20.7-173.5-103.9 142.8 -0.4 -18.8 33.0 4 4 A K E -a 37 0A 64 32,-2.1 34,-2.0 -2,-0.3 2,-0.3 -0.998 18.6-136.7-132.1 138.6 -0.3 -15.8 35.3 5 5 A S E +ab 38 59A 22 53,-0.5 55,-3.5 -2,-0.4 56,-1.1 -0.750 25.7 167.2 -99.5 144.8 0.6 -12.3 34.1 6 6 A F E +ab 39 61A 4 32,-2.4 34,-2.0 -2,-0.3 2,-0.3 -0.940 2.0 161.6-141.6 162.2 2.9 -9.8 35.6 7 7 A G E -ab 40 62A 0 54,-1.0 56,-2.3 -2,-0.3 2,-0.4 -0.979 34.9-105.2-165.7-174.4 4.5 -6.5 34.7 8 8 A V E -ab 41 63A 3 32,-1.9 34,-2.9 -2,-0.3 2,-0.5 -0.990 24.8-149.4-126.4 126.0 6.2 -3.3 35.7 9 9 A F E +ab 42 64A 0 54,-2.5 56,-2.9 -2,-0.4 2,-0.3 -0.812 38.5 130.2 -94.6 125.5 4.5 0.1 35.7 10 10 A G E -a 43 0A 0 32,-1.9 34,-1.9 -2,-0.5 3,-0.3 -0.974 51.8-116.2-162.7 166.8 6.7 3.1 35.0 11 11 A N S S+ 0 0 38 55,-2.4 2,-0.1 1,-0.7 32,-0.1 -0.699 111.5 18.7-155.7 100.5 7.1 6.2 32.9 12 12 A P S S+ 0 0 23 0, 0.0 -1,-0.7 0, 0.0 54,-0.0 0.570 85.3 151.9 -77.1 170.6 9.6 5.8 31.3 13 13 A I > + 0 0 10 -3,-0.3 3,-2.3 -2,-0.1 -2,-0.1 0.515 40.1 95.0-140.5 -14.4 10.0 2.1 31.5 14 14 A K T 3 S+ 0 0 55 1,-0.3 29,-0.0 27,-0.1 258,-0.0 0.767 84.5 58.4 -61.7 -25.5 11.8 0.7 28.5 15 15 A H T 3 S+ 0 0 43 2,-0.0 -1,-0.3 424,-0.0 2,-0.2 0.406 80.4 119.8 -77.2 -4.2 15.2 0.8 30.2 16 16 A S < - 0 0 18 -3,-2.3 4,-0.2 1,-0.1 -3,-0.1 -0.506 48.0-165.3 -74.5 136.5 14.0 -1.5 33.0 17 17 A K > + 0 0 60 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.321 66.5 100.6 -95.4 6.2 15.8 -4.8 33.4 18 18 A S H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.904 76.4 52.8 -62.8 -40.6 12.9 -6.2 35.6 19 19 A P H > S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.927 108.0 52.7 -59.7 -40.9 11.3 -8.2 32.8 20 20 A L H > S+ 0 0 87 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.966 115.7 37.8 -58.2 -51.0 14.6 -10.0 32.0 21 21 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.876 117.9 48.2 -77.0 -34.1 15.3 -11.1 35.6 22 22 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.935 111.2 50.2 -70.2 -42.9 11.7 -11.9 36.6 23 23 A N H X S+ 0 0 57 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.882 106.0 56.8 -63.7 -35.4 11.0 -13.9 33.5 24 24 A A H X S+ 0 0 17 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.893 110.5 45.0 -59.4 -42.3 14.2 -15.9 34.1 25 25 A C H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.900 110.3 52.4 -65.3 -45.6 12.8 -16.8 37.5 26 26 A F H < S+ 0 0 1 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.926 113.8 45.0 -58.1 -44.5 9.4 -17.7 36.3 27 27 A L H >< S+ 0 0 104 -4,-2.6 3,-0.7 -5,-0.2 4,-0.3 0.922 116.1 45.9 -61.6 -45.5 11.0 -20.0 33.7 28 28 A T H 3< S+ 0 0 61 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.906 120.4 37.1 -69.7 -38.7 13.4 -21.5 36.2 29 29 A F T 3X S+ 0 0 12 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.211 78.0 114.4-102.5 15.4 10.8 -22.1 39.0 30 30 A Q H <>>S+ 0 0 49 -3,-0.7 4,-2.1 -4,-0.4 5,-0.6 0.881 75.0 54.5 -58.7 -35.9 7.8 -23.1 37.0 31 31 A K H 45S+ 0 0 121 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.962 112.8 41.8 -64.3 -46.0 7.7 -26.7 38.4 32 32 A E H 45S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.897 118.1 46.4 -64.0 -41.3 7.7 -25.5 42.0 33 33 A L H <5S- 0 0 11 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.788 94.1-143.5 -72.5 -27.5 5.2 -22.7 41.3 34 34 A R T <5S+ 0 0 209 -4,-2.1 -32,-0.3 -5,-0.3 2,-0.3 0.779 74.2 72.1 59.3 29.9 2.8 -24.9 39.2 35 35 A F S - 0 0 54 0, 0.0 3,-1.8 0, 0.0 -34,-0.0 -0.394 24.6-119.8 -61.7 142.8 0.4 7.2 30.9 46 46 A L T 3 S+ 0 0 98 1,-0.3 -2,-0.0 3,-0.0 -35,-0.0 0.792 112.3 54.3 -54.8 -32.4 0.7 9.8 33.7 47 47 A E T 3 S+ 0 0 166 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.575 91.1 96.1 -77.4 -10.6 -3.1 10.3 33.8 48 48 A S S < S- 0 0 32 -3,-1.8 2,-0.5 1,-0.1 -4,-0.0 -0.047 74.4-116.9 -77.5-179.8 -4.0 6.6 34.2 49 49 A H > - 0 0 85 1,-0.1 4,-2.4 26,-0.0 5,-0.3 -0.981 10.0-145.6-124.7 125.1 -4.7 4.8 37.5 50 50 A I H > S+ 0 0 2 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.911 98.7 45.5 -59.4 -46.2 -2.5 1.9 38.7 51 51 A K H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 112.8 49.3 -65.1 -43.4 -5.2 -0.1 40.3 52 52 A S H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 114.4 45.9 -65.1 -38.8 -7.6 0.2 37.4 53 53 A E H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 6,-0.2 0.916 109.8 53.8 -70.3 -42.4 -4.9 -0.8 34.9 54 54 A F H <>S+ 0 0 0 -4,-2.8 5,-1.8 -5,-0.3 4,-0.5 0.932 114.9 41.5 -54.0 -47.1 -3.7 -3.7 37.1 55 55 A L H ><5S+ 0 0 96 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.934 112.3 54.3 -67.3 -45.1 -7.3 -5.0 37.1 56 56 A H H 3<5S+ 0 0 142 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 110.7 45.7 -55.1 -43.2 -7.9 -4.3 33.4 57 57 A L T 3<5S- 0 0 74 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.548 108.1-126.1 -78.4 -12.0 -4.8 -6.3 32.4 58 58 A G T < 5 + 0 0 48 -3,-1.1 -53,-0.5 -4,-0.5 -3,-0.2 0.807 44.3 177.8 69.5 30.4 -5.7 -9.2 34.7 59 59 A L E < -b 5 0A 10 -5,-1.8 -53,-0.2 -6,-0.2 -1,-0.2 -0.293 32.5-159.3 -64.6 151.2 -2.3 -9.1 36.4 60 60 A S E S- 0 0 31 -55,-3.5 34,-2.4 1,-0.4 2,-0.3 0.625 79.2 -13.9 -96.2 -25.7 -1.5 -11.4 39.3 61 61 A G E -bC 6 93A 0 -56,-1.1 -54,-1.0 32,-0.2 -1,-0.4 -0.982 63.5-176.0-164.8 168.1 1.3 -9.1 40.4 62 62 A A E -bC 7 92A 0 30,-2.4 30,-3.8 -2,-0.3 2,-0.3 -0.983 21.5-125.9-160.9 160.8 3.4 -6.2 39.3 63 63 A N E -bC 8 91A 4 -56,-2.3 -54,-2.5 -2,-0.3 2,-0.4 -0.717 22.5-147.9-103.4 164.8 6.3 -3.9 40.2 64 64 A V E +b 9 0A 5 26,-1.9 2,-0.2 -2,-0.3 -54,-0.2 -1.000 19.1 172.9-135.2 129.0 6.0 -0.1 40.2 65 65 A T > - 0 0 28 -56,-2.9 3,-2.3 -2,-0.4 4,-0.1 -0.630 38.4 -0.5-122.8-169.9 8.8 2.3 39.4 66 66 A L T 3 S+ 0 0 61 1,-0.3 -55,-2.4 -2,-0.2 -1,-0.2 -0.228 119.9 9.6 -56.7 140.2 9.2 6.0 38.9 67 67 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 -0.732 122.2 60.4-104.2 38.7 7.0 8.2 39.1 68 68 A F <> + 0 0 0 -3,-2.3 4,-2.5 -59,-0.2 -2,-0.2 0.461 65.5 97.8-112.1 2.5 4.3 5.9 40.5 69 69 A K H > S+ 0 0 14 1,-0.2 20,-2.3 2,-0.2 4,-1.6 0.855 90.6 44.0 -69.5 -37.8 5.5 4.5 43.9 70 70 A E H > S+ 0 0 75 18,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 114.2 50.6 -70.7 -40.7 3.7 7.0 46.1 71 71 A R H > S+ 0 0 87 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.902 106.9 55.3 -56.9 -40.0 0.5 6.8 43.9 72 72 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.916 104.8 52.7 -64.7 -40.0 0.6 3.0 44.2 73 73 A F H < S+ 0 0 42 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.909 110.4 49.7 -57.8 -40.3 0.7 3.3 48.0 74 74 A Q H < S+ 0 0 148 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.9 42.4 -67.6 -33.2 -2.5 5.5 47.8 75 75 A V H < S+ 0 0 32 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.547 85.5 109.4-102.7 -4.8 -4.5 3.2 45.5 76 76 A C < - 0 0 18 -4,-1.3 24,-0.2 -3,-0.3 3,-0.1 -0.310 64.5-138.7 -64.4 149.7 -3.8 -0.2 47.1 77 77 A D S S+ 0 0 72 22,-1.9 2,-0.3 1,-0.3 23,-0.2 0.801 88.9 10.3 -74.6 -34.2 -6.6 -2.0 48.9 78 78 A K E -d 100 0A 80 21,-1.7 23,-2.8 2,-0.0 2,-0.4 -0.990 66.2-151.2-145.1 145.3 -4.2 -3.2 51.6 79 79 A I E -d 101 0A 39 -2,-0.3 2,-0.3 21,-0.2 23,-0.2 -0.972 20.6-174.9-120.2 134.8 -0.6 -2.3 52.5 80 80 A K > + 0 0 81 21,-2.7 3,-0.8 -2,-0.4 23,-0.4 -0.950 39.2 1.3-130.2 153.8 1.6 -4.9 54.2 81 81 A G T > S- 0 0 48 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.278 118.9 -19.3 73.3-158.8 5.1 -5.1 55.6 82 82 A I T >> S+ 0 0 48 1,-0.3 3,-2.3 21,-0.2 4,-0.6 0.701 119.6 82.7 -62.3 -20.9 7.6 -2.3 55.8 83 83 A A H X>>S+ 0 0 0 -3,-0.8 4,-1.1 1,-0.3 3,-0.9 0.801 76.5 72.9 -49.7 -32.3 5.6 -0.4 53.0 84 84 A L H <45S+ 0 0 110 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.830 107.0 33.3 -51.9 -32.8 3.3 0.8 55.9 85 85 A E H <45S+ 0 0 104 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.425 109.5 67.1-101.2 -7.3 6.2 3.1 56.9 86 86 A C H <<5S- 0 0 0 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.635 84.3-143.0 -88.4 -18.3 7.6 3.9 53.5 87 87 A G T <5S+ 0 0 6 -4,-1.1 2,-0.3 1,-0.1 -14,-0.2 0.790 76.5 83.2 57.7 30.1 4.6 5.9 52.1 88 88 A A < - 0 0 0 -5,-0.6 2,-0.4 -15,-0.1 -18,-0.2 -0.973 63.2-154.7-161.7 145.6 5.5 4.1 48.8 89 89 A V + 0 0 0 -20,-2.3 14,-0.2 -2,-0.3 -17,-0.2 -0.994 17.6 167.7-127.6 134.6 4.8 0.7 47.1 90 90 A N + 0 0 3 12,-1.8 -26,-1.9 -2,-0.4 2,-0.4 0.361 69.2 55.5-120.6 -0.6 7.0 -0.9 44.5 91 91 A T E -CE 63 102A 0 11,-1.8 11,-2.7 -28,-0.3 2,-0.4 -0.993 61.2-170.9-139.7 125.0 5.4 -4.4 44.5 92 92 A L E +CE 62 101A 0 -30,-3.8 -30,-2.4 -2,-0.4 2,-0.4 -0.953 4.5 179.1-119.7 137.4 1.8 -5.3 44.0 93 93 A V E -CE 61 100A 13 7,-2.5 7,-2.9 -2,-0.4 2,-0.7 -0.998 28.7-130.5-136.8 137.6 0.1 -8.7 44.4 94 94 A L E + E 0 99A 62 -34,-2.4 2,-0.5 -2,-0.4 5,-0.2 -0.753 36.1 174.5 -82.8 112.8 -3.5 -9.8 43.9 95 95 A E E > - E 0 98A 46 3,-2.5 3,-2.3 -2,-0.7 -2,-0.1 -0.986 67.5 -19.4-124.3 119.5 -4.3 -11.6 47.1 96 96 A N T 3 S- 0 0 152 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.917 125.3 -56.1 49.7 45.7 -7.9 -12.8 47.7 97 97 A D T 3 S+ 0 0 152 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.604 116.2 113.9 63.5 13.1 -9.2 -10.4 45.1 98 98 A E E < S- E 0 95A 77 -3,-2.3 -3,-2.5 -5,-0.0 2,-0.8 -0.912 71.5-122.4-108.4 145.2 -7.6 -7.4 47.0 99 99 A L E - E 0 94A 0 -2,-0.4 -22,-1.9 -5,-0.2 -21,-1.7 -0.751 35.0-164.3 -85.2 110.0 -4.7 -5.3 45.5 100 100 A V E -dE 78 93A 0 -7,-2.9 -7,-2.5 -2,-0.8 2,-0.4 -0.830 4.6-151.4-104.2 133.1 -2.0 -5.6 48.1 101 101 A G E +dE 79 92A 0 -23,-2.8 -21,-2.7 -2,-0.5 2,-0.3 -0.847 16.5 172.2-105.6 137.3 1.1 -3.3 48.2 102 102 A Y E - E 0 91A 18 -11,-2.7 -11,-1.8 -2,-0.4 -12,-1.8 -0.870 24.2-136.7-126.8 164.6 4.6 -4.1 49.5 103 103 A N + 0 0 9 -23,-0.4 4,-0.4 -2,-0.3 -21,-0.2 -0.924 25.8 165.0-127.1 109.7 7.9 -2.3 49.4 104 104 A T > + 0 0 7 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 0.413 65.2 82.0 -97.4 -0.4 11.0 -4.2 48.6 105 105 A D H > S+ 0 0 8 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.880 87.2 56.1 -69.0 -38.9 13.2 -1.2 48.0 106 106 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.973 116.9 32.4 -59.1 -56.3 13.9 -0.6 51.7 107 107 A L H > S+ 0 0 67 -4,-0.4 4,-2.5 1,-0.2 5,-0.3 0.867 115.2 59.5 -73.0 -32.8 15.3 -4.1 52.3 108 108 A G H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.925 106.8 47.1 -61.6 -40.4 16.8 -4.4 48.8 109 109 A F H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 3,-0.2 0.943 111.6 51.2 -61.6 -48.5 18.9 -1.3 49.5 110 110 A Y H >< S+ 0 0 104 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.932 110.1 48.4 -52.4 -48.1 20.0 -2.6 52.9 111 111 A L H 3< S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 103.6 62.7 -70.0 -25.4 21.1 -5.9 51.5 112 112 A S H 3< S+ 0 0 2 -4,-1.4 2,-0.3 -5,-0.3 -1,-0.3 0.652 86.5 92.5 -72.7 -17.0 23.0 -4.2 48.8 113 113 A L << 0 0 28 -3,-1.4 -4,-0.0 -4,-0.7 -3,-0.0 -0.622 360.0 360.0 -82.5 136.6 25.3 -2.5 51.3 114 114 A K 0 0 187 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.1 -0.620 360.0 360.0 -72.4 360.0 28.6 -4.1 52.3 115 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 116 118 A Y 0 0 97 0, 0.0 3,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 135.6 28.2 3.8 58.0 117 119 A Q + 0 0 147 1,-0.2 24,-2.1 23,-0.1 2,-0.3 0.707 360.0 11.1-103.5 -23.2 26.9 6.2 60.8 118 120 A N E -f 141 0B 27 22,-0.3 55,-1.8 2,-0.0 54,-0.4 -0.962 61.1-159.3-154.1 166.8 25.0 8.8 58.8 119 121 A A E -fg 142 173B 0 22,-1.8 24,-2.8 -2,-0.3 2,-0.5 -0.996 14.0-145.3-153.0 148.0 23.7 9.4 55.3 120 122 A L E -fg 143 174B 0 53,-2.8 55,-3.2 -2,-0.3 2,-0.5 -0.987 20.3-162.6-118.7 120.9 22.6 12.2 53.0 121 123 A I E -fg 144 175B 0 22,-2.9 24,-2.6 -2,-0.5 2,-0.6 -0.895 4.4-154.8-104.9 131.0 19.7 11.3 50.7 122 124 A L E +fg 145 176B 4 53,-2.9 55,-2.4 -2,-0.5 24,-0.2 -0.915 58.2 40.3-106.2 124.7 19.0 13.4 47.7 123 125 A G - 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0 0 102 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.239 49.0-124.2 -42.7 130.5 26.0 21.6 41.9 190 192 A K H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.880 108.4 48.8 -53.5 -42.3 29.3 19.9 41.0 191 193 A E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.860 110.0 52.3 -70.6 -31.9 31.4 21.8 43.6 192 194 A V H > S+ 0 0 44 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.958 110.5 47.6 -64.8 -48.1 28.9 21.0 46.4 193 195 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.907 107.4 56.3 -60.6 -42.0 29.0 17.3 45.5 194 196 A K H X S+ 0 0 55 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.901 104.3 54.7 -53.1 -41.5 32.8 17.4 45.4 195 197 A G H X S+ 0 0 35 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.938 112.5 41.7 -58.6 -47.3 32.7 18.8 49.0 196 198 A Y H >X S+ 0 0 15 -4,-1.9 3,-0.9 1,-0.2 4,-0.6 0.908 111.6 54.6 -66.5 -41.4 30.6 15.8 50.1 197 199 A F H >< S+ 0 0 2 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.868 101.4 59.2 -66.0 -34.2 32.6 13.2 48.2 198 200 A K H 3< S+ 0 0 150 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.804 117.0 32.5 -61.4 -28.5 35.9 14.3 49.7 199 201 A E H << S+ 0 0 127 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.338 103.2 102.1-110.2 6.1 34.5 13.5 53.2 200 202 A G << - 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0 0 77 -2,-0.3 -3,-0.1 -258,-0.2 16,-0.0 -0.679 52.7-149.9 -78.4 102.1 30.5 7.4 27.0 469 214 B T > - 0 0 0 -2,-1.2 4,-2.9 -5,-0.1 5,-0.2 -0.143 25.2-105.8 -69.9 162.8 28.3 4.9 25.2 470 215 B P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.915 122.9 51.0 -56.7 -40.3 29.3 1.2 25.0 471 216 B F H > S+ 0 0 0 -29,-0.3 4,-1.5 1,-0.2 5,-0.1 0.933 113.7 42.4 -59.8 -50.1 30.2 1.8 21.3 472 217 B L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.857 109.1 59.3 -71.5 -32.4 32.4 4.9 22.1 473 218 B S H X S+ 0 0 52 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.901 105.2 49.2 -62.7 -40.0 34.0 3.2 25.1 474 219 B L H X S+ 0 0 12 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.865 111.5 49.3 -63.6 -40.9 35.3 0.4 22.9 475 220 B A H ><>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 3,-0.6 0.953 110.9 49.4 -64.0 -44.2 36.7 2.9 20.5 476 221 B K H ><5S+ 0 0 114 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.932 106.9 55.8 -60.8 -44.8 38.3 4.8 23.3 477 222 B E H 3<5S+ 0 0 121 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.848 109.8 45.9 -53.4 -35.5 39.8 1.6 24.7 478 223 B L T <<5S- 0 0 55 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.361 115.6-115.0 -93.3 5.9 41.5 0.9 21.3 479 224 B K T < 5 + 0 0 173 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.669 65.1 150.3 67.3 19.7 42.7 4.5 20.9 480 225 B T < - 0 0 11 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.659 55.6-105.0 -81.0 134.8 40.4 5.0 17.9 481 226 B P - 0 0 72 0, 0.0 -21,-2.4 0, 0.0 2,-0.3 -0.334 46.9-169.9 -58.1 146.3 39.3 8.6 17.5 482 227 B F E -t 460 0D 85 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.966 18.5-171.6-142.8 154.4 35.7 9.0 18.6 483 228 B Q E -t 461 0D 33 -23,-2.4 -21,-2.7 -2,-0.3 2,-0.1 -0.990 9.3-154.4-147.9 128.9 32.8 11.5 18.5 484 229 B D - 0 0 43 -2,-0.3 3,-0.5 -23,-0.2 4,-0.4 -0.293 40.7 -90.3 -91.7-175.5 29.4 11.6 20.1 485 230 B G S > S+ 0 0 3 -21,-2.4 4,-2.6 1,-0.2 -20,-0.2 0.351 94.7 101.1 -76.0 2.5 26.2 13.4 19.0 486 231 B K H > S+ 0 0 81 -22,-0.3 4,-2.1 2,-0.2 5,-0.2 0.913 82.7 43.7 -59.3 -50.2 26.9 16.7 20.9 487 232 B D H > S+ 0 0 47 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.949 116.2 47.9 -65.0 -46.0 28.2 18.8 18.0 488 233 B M H > S+ 0 0 11 -4,-0.4 4,-2.9 1,-0.2 5,-0.3 0.912 107.9 57.4 -58.7 -42.5 25.5 17.6 15.7 489 234 B L H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.927 108.2 44.9 -50.6 -52.7 22.9 18.3 18.3 490 235 B I H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.931 115.2 47.7 -66.0 -39.4 23.8 21.9 18.7 491 236 B Y H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.953 115.8 42.5 -65.3 -50.0 24.0 22.5 14.9 492 237 B Q H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.889 114.1 52.9 -64.5 -35.6 20.7 20.8 14.1 493 238 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.916 107.8 49.9 -66.8 -41.7 19.1 22.5 17.1 494 239 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.884 111.5 49.5 -62.5 -44.0 20.2 25.9 16.0 495 240 B L H X S+ 0 0 25 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.886 112.2 48.1 -55.8 -42.2 18.9 25.3 12.5 496 241 B S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.900 107.1 55.7 -65.3 -43.6 15.6 24.1 13.9 497 242 B F H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 8,-0.2 0.870 100.0 59.1 -59.7 -38.3 15.3 27.1 16.2 498 243 B E H <>S+ 0 0 54 -4,-1.7 5,-2.6 1,-0.2 7,-0.4 0.930 110.5 43.8 -55.1 -43.0 15.6 29.4 13.2 499 244 B K H ><5S+ 0 0 50 -4,-1.1 3,-1.5 -3,-0.2 -2,-0.2 0.851 109.7 54.9 -69.7 -38.3 12.4 27.7 11.9 500 245 B F H 3<5S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.9 53.8 -65.1 -26.8 10.6 27.7 15.2 501 246 B S T ><5S- 0 0 0 -4,-1.7 3,-1.7 4,-0.2 -1,-0.3 0.214 117.7-113.4 -89.7 12.2 11.2 31.5 15.4 502 247 B A T < 5S- 0 0 74 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.893 72.9 -60.1 53.9 38.0 9.6 31.9 11.9 503 248 B S T 3 > - 0 0 53 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.365 19.1-113.9 -65.8 142.9 19.1 33.6 12.6 507 252 B Y H 3> S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.859 114.7 53.7 -38.7 -48.5 20.8 30.2 13.0 508 253 B S H 3> S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 108.0 49.2 -70.5 -30.5 24.1 31.8 14.0 509 254 B K H <> S+ 0 0 125 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.924 114.2 45.4 -69.8 -43.1 22.6 33.8 16.8 510 255 B A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.929 109.9 57.3 -64.8 -42.9 20.8 30.7 18.2 511 256 B F H X S+ 0 0 34 -4,-3.1 4,-2.8 -5,-0.3 5,-0.3 0.912 103.6 51.3 -54.2 -45.8 23.9 28.7 17.8 512 257 B E H X S+ 0 0 128 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.917 113.1 44.6 -63.3 -37.9 26.0 31.0 19.9 513 258 B V H X S+ 0 0 25 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.933 115.8 47.8 -71.1 -41.4 23.4 30.9 22.8 514 259 B M H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.903 111.8 48.1 -68.6 -40.8 23.0 27.1 22.5 515 260 B R H < S+ 0 0 151 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.945 112.3 49.2 -62.9 -47.4 26.7 26.3 22.4 516 261 B S H < S+ 0 0 99 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.903 113.7 45.3 -60.4 -47.3 27.5 28.5 25.4 517 262 B V H < 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.885 360.0 360.0 -68.1 -37.5 24.7 27.1 27.5 518 263 B F < 0 0 80 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.866 360.0 360.0 -69.7 360.0 25.5 23.5 26.6