==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-07 2POF . COMPND 2 MOLECULE: CDP-DIACYLGLYCEROL PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.MADEGOWDA,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YOR . 440 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 64.3 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 . 98 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 19 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 2 4 8 0 0 0 0 0 0 0 0 0 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 . 8 2 4 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 31 A S 0 0 102 0, 0.0 106,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -14.8 12.2 -1.7 17.0 2 32 A D > + 0 0 45 104,-0.2 4,-2.4 1,-0.1 5,-0.2 0.303 360.0 106.2-109.5 10.9 12.6 0.3 13.8 3 33 A T H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.898 85.2 45.0 -59.8 -44.5 9.9 2.9 13.9 4 34 A L H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 113.1 50.3 -66.4 -41.1 12.2 5.8 14.7 5 35 A R H > S+ 0 0 25 1,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.881 113.1 47.7 -62.7 -38.7 14.8 4.8 12.1 6 36 A K H X S+ 0 0 109 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.873 110.2 51.3 -70.9 -37.9 12.0 4.5 9.5 7 37 A I H X>S+ 0 0 27 -4,-2.2 5,-2.4 -5,-0.2 4,-1.8 0.977 115.9 41.4 -62.3 -54.5 10.6 7.9 10.4 8 38 A V H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 -2,-0.2 0.972 125.9 32.3 -56.0 -59.6 13.9 9.6 10.1 9 39 A L H <5S+ 0 0 48 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.635 130.0 33.1 -76.3 -18.3 15.2 7.8 7.0 10 40 A E H <5S+ 0 0 129 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.2 0.476 132.2 18.2-118.8 -4.1 11.9 7.3 5.2 11 41 A E T X5S+ 0 0 94 -4,-1.8 4,-1.4 -5,-0.3 -3,-0.2 0.605 124.8 36.5-126.6 -62.0 9.8 10.3 6.1 12 42 A a H > S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.875 114.8 49.3 -63.0 -35.4 13.3 12.4 2.0 15 45 A N H X>S+ 0 0 33 -4,-1.4 4,-2.7 2,-0.2 6,-1.7 0.867 112.5 47.6 -70.3 -37.5 10.7 15.1 2.8 16 46 A Q H X5S+ 0 0 32 -4,-2.7 4,-1.6 4,-0.3 -1,-0.2 0.948 117.0 42.8 -67.2 -48.6 13.4 17.6 3.7 17 47 A Q H <5S+ 0 0 129 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.798 121.9 39.9 -67.6 -32.0 15.4 16.8 0.6 18 48 A Q H <5S+ 0 0 151 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.893 139.6 3.7 -86.6 -44.8 12.3 16.7 -1.7 19 49 A N H <5S- 0 0 96 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.365 91.7-114.0-124.6 4.2 10.3 19.7 -0.4 20 50 A Q S < + 0 0 10 0, 0.0 3,-2.1 0, 0.0 5,-0.2 0.593 32.5 171.0 -72.5 -10.8 11.1 18.3 7.7 23 53 A S T 3 + 0 0 52 1,-0.4 -8,-0.2 3,-0.1 -2,-0.1 -0.117 64.2 24.4 -47.4 140.4 7.7 16.9 8.8 24 54 A P T 3 S+ 0 0 66 0, 0.0 14,-0.4 0, 0.0 -1,-0.4 -0.998 124.0 66.1 -74.3 -6.3 7.2 15.0 10.8 25 55 A a S < S- 0 0 6 -3,-2.1 12,-0.3 12,-0.1 3,-0.1 -0.261 74.7-137.1 -70.4 161.6 10.5 16.2 12.2 26 56 A A S S+ 0 0 36 10,-3.4 2,-0.3 1,-0.3 11,-0.2 0.758 88.0 6.0 -88.2 -29.9 11.0 19.8 13.5 27 57 A E E -A 36 0A 56 9,-1.2 9,-2.3 -5,-0.2 2,-0.4 -0.960 60.5-166.9-157.3 136.0 14.4 20.2 11.8 28 58 A V E +A 35 0A 5 -2,-0.3 7,-0.2 7,-0.2 -5,-0.0 -0.967 7.2 177.1-130.7 114.3 16.4 18.1 9.4 29 59 A K E >>> +A 34 0A 77 5,-2.8 4,-1.9 -2,-0.4 3,-1.4 -0.717 4.4 173.9-119.4 82.1 20.0 18.9 8.7 30 60 A P T 345S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.842 80.9 55.1 -55.7 -36.2 21.6 16.4 6.3 31 61 A N T 345S+ 0 0 135 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.679 114.9 39.1 -71.7 -18.0 24.9 18.3 6.0 32 62 A A T <45S- 0 0 40 -3,-1.4 -1,-0.2 2,-0.2 -4,-0.0 0.621 112.5-119.5-102.3 -22.6 25.3 18.3 9.8 33 63 A G T <5S+ 0 0 5 -4,-1.9 18,-1.2 1,-0.2 19,-0.3 0.718 71.0 91.1 92.4 25.9 24.0 14.7 10.3 34 64 A Y E < -AB 29 50A 33 -5,-1.4 -5,-2.8 16,-0.3 2,-0.3 -0.966 45.8-161.6-150.0 163.5 21.0 15.1 12.5 35 65 A V E -AB 28 49A 0 14,-2.5 14,-1.8 -2,-0.3 2,-0.4 -0.909 16.3-139.2-136.6 163.3 17.3 15.7 12.9 36 66 A V E -AB 27 48A 0 -9,-2.3 -10,-3.4 -2,-0.3 -9,-1.2 -0.996 21.6-175.4-128.7 124.2 15.0 16.9 15.7 37 67 A L E - B 0 47A 18 10,-2.5 10,-2.8 -2,-0.4 2,-0.3 -0.961 28.4-118.3-124.5 139.3 11.7 15.2 16.4 38 68 A K E - B 0 46A 50 -14,-0.4 8,-0.3 -2,-0.4 2,-0.2 -0.559 35.2-129.3 -71.4 133.6 8.9 16.0 18.8 39 69 A D - 0 0 29 6,-2.9 6,-0.1 -2,-0.3 -1,-0.1 -0.547 4.3-134.3 -83.6 150.2 8.5 13.0 21.2 40 70 A L S S+ 0 0 181 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.675 90.3 74.3 -75.9 -15.9 5.0 11.6 21.7 41 71 A N S S+ 0 0 79 4,-0.0 4,-0.2 2,-0.0 -2,-0.1 -0.876 95.2 8.5-106.4 114.9 5.7 11.6 25.5 42 72 A G S S- 0 0 15 -2,-0.6 174,-0.2 1,-0.1 -3,-0.1 0.158 78.2 -98.8 98.7 143.3 5.7 14.8 27.4 43 73 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 173,-0.1 0.801 117.6 23.7 -67.5 -27.7 4.7 18.4 26.4 44 74 A L S S+ 0 0 9 171,-0.5 2,-0.2 -3,-0.1 40,-0.1 0.449 88.5 126.1-119.7 0.3 8.2 19.7 25.7 45 75 A Q + 0 0 0 170,-0.3 -6,-2.9 -4,-0.2 2,-0.3 -0.387 29.9 176.2 -71.3 132.0 10.2 16.5 24.9 46 76 A Y E -BC 38 113A 20 67,-2.0 67,-3.1 -8,-0.3 2,-0.4 -0.870 18.9-140.2-125.6 160.5 12.2 16.3 21.7 47 77 A L E -BC 37 112A 6 -10,-2.8 -10,-2.5 -2,-0.3 2,-0.5 -0.943 4.7-153.7-120.5 142.7 14.6 13.7 20.4 48 78 A L E +BC 36 111A 0 63,-1.8 63,-2.2 -2,-0.4 -12,-0.2 -0.985 25.5 166.9-116.9 124.7 17.8 14.3 18.5 49 79 A X E -B 35 0A 0 -14,-1.8 -14,-2.5 -2,-0.5 61,-0.1 -0.936 35.7-100.5-135.4 157.9 18.9 11.5 16.1 50 80 A P E -B 34 0A 0 0, 0.0 -16,-0.3 0, 0.0 4,-0.1 -0.333 22.1-129.2 -75.9 160.2 21.4 11.1 13.3 51 81 A T S S+ 0 0 17 -18,-1.2 2,-0.3 -22,-0.2 -17,-0.1 0.313 92.9 44.4 -90.1 8.2 20.4 11.3 9.7 52 82 A Y S S- 0 0 79 -19,-0.3 2,-0.5 2,-0.0 -44,-0.0 -0.887 107.6 -59.9-142.4 171.7 22.2 7.9 9.1 53 83 A R + 0 0 147 -2,-0.3 2,-0.3 55,-0.1 -2,-0.1 -0.427 61.3 139.0 -69.9 113.9 22.5 4.6 10.8 54 84 A I - 0 0 2 -2,-0.5 55,-3.2 -4,-0.1 3,-0.1 -0.930 33.2-159.4-145.8 119.4 23.8 4.5 14.4 55 85 A N - 0 0 56 -2,-0.3 2,-0.3 53,-0.3 55,-0.1 0.757 48.9 -76.2 -81.2 -24.4 21.9 2.2 16.7 56 86 A G S > S- 0 0 2 53,-0.1 3,-1.8 52,-0.1 6,-0.2 -0.991 76.4 -27.2 160.1-163.1 22.8 3.5 20.1 57 87 A T T 3 S+ 0 0 2 42,-0.5 122,-0.1 -2,-0.3 43,-0.1 0.682 125.7 61.1 -56.1 -21.2 25.4 3.8 22.8 58 88 A E T 3 S+ 0 0 65 120,-0.2 120,-0.3 119,-0.1 -1,-0.3 0.734 76.1 115.2 -78.7 -24.4 27.0 0.5 21.6 59 89 A S X - 0 0 13 -3,-1.8 3,-1.3 1,-0.2 4,-0.2 -0.200 63.1-143.7 -52.0 126.2 27.8 1.8 18.1 60 90 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.751 94.1 74.6 -64.0 -22.0 31.5 1.9 17.4 61 91 A L G > S+ 0 0 73 1,-0.3 3,-1.9 2,-0.2 6,-0.3 0.829 82.7 68.6 -59.9 -31.3 31.0 5.1 15.4 62 92 A L G < S+ 0 0 4 -3,-1.3 -1,-0.3 1,-0.3 99,-0.1 0.674 95.7 54.4 -63.9 -16.8 30.5 7.0 18.7 63 93 A T G < S+ 0 0 42 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.111 87.2 98.1-104.8 21.1 34.2 6.5 19.5 64 94 A D S X S- 0 0 66 -3,-1.9 3,-1.7 1,-0.1 100,-0.1 -0.943 72.1-138.7-107.4 127.3 35.4 8.0 16.3 65 95 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.723 99.6 61.0 -55.4 -25.0 36.6 11.6 16.4 66 96 A S T 3 S+ 0 0 103 -5,-0.1 3,-0.1 2,-0.1 -4,-0.1 0.596 80.2 105.2 -78.9 -14.0 34.9 12.5 13.1 67 97 A T S < S- 0 0 27 -3,-1.7 94,-0.1 -6,-0.3 3,-0.0 -0.496 84.8-100.7 -70.8 132.6 31.4 11.6 14.4 68 98 A P - 0 0 39 0, 0.0 2,-1.8 0, 0.0 3,-0.2 -0.140 32.2-112.3 -51.8 148.3 29.2 14.6 15.1 69 99 A N >> - 0 0 29 1,-0.2 4,-2.0 89,-0.1 3,-0.5 -0.623 39.6-179.3 -83.6 82.6 29.0 15.6 18.7 70 100 A F H 3> S+ 0 0 1 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.826 75.0 58.2 -56.5 -34.5 25.3 14.6 19.1 71 101 A F H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 108.4 45.1 -64.8 -39.2 25.2 15.7 22.8 72 102 A W H <> S+ 0 0 47 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.879 112.9 51.9 -70.7 -33.7 26.3 19.2 21.9 73 103 A L H X S+ 0 0 36 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.888 109.0 49.9 -67.6 -37.6 23.8 19.2 19.0 74 104 A A H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.908 107.5 55.2 -66.0 -41.0 21.0 18.1 21.4 75 105 A W H >< S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.945 108.4 47.2 -57.3 -48.7 22.0 20.9 23.8 76 106 A Q H >< S+ 0 0 93 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.882 105.4 60.9 -60.3 -35.7 21.6 23.4 21.0 77 107 A A T >< S+ 0 0 7 -4,-1.9 3,-2.2 1,-0.3 4,-0.4 0.497 73.4 97.4 -71.6 -0.3 18.3 21.9 20.1 78 108 A R T X> + 0 0 44 -3,-1.8 3,-1.4 -4,-0.3 4,-1.1 0.730 66.9 77.2 -60.0 -19.1 17.0 22.7 23.6 79 109 A D H <> S+ 0 0 46 -3,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.728 79.9 67.0 -63.1 -22.9 15.4 25.8 21.9 80 110 A F H <> S+ 0 0 18 -3,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.813 97.1 54.9 -69.2 -25.8 12.7 23.5 20.6 81 111 A X H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.4 -1,-0.2 0.923 107.2 49.4 -69.3 -43.0 11.6 23.1 24.2 82 112 A S H X>S+ 0 0 10 -4,-1.1 4,-2.0 1,-0.2 5,-1.0 0.890 107.4 54.8 -62.6 -39.9 11.3 26.9 24.6 83 113 A K H <5S+ 0 0 25 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.0 41.6 -60.8 -42.4 9.3 27.1 21.4 84 114 A K H <5S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.806 113.5 53.4 -74.8 -28.3 6.8 24.6 22.7 85 115 A Y H <5S- 0 0 66 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.769 106.7-131.1 -75.2 -25.8 6.9 26.2 26.1 86 116 A G T <5S+ 0 0 8 -4,-2.0 -3,-0.2 1,-0.2 211,-0.1 0.492 79.5 46.5 89.2 2.6 6.1 29.6 24.5 87 117 A Q S > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.340 18.1-125.2 -60.5 137.6 16.0 28.3 31.7 91 121 A D G >4 S+ 0 0 50 1,-0.3 3,-1.2 2,-0.2 95,-0.4 0.812 108.4 64.3 -50.1 -37.4 19.2 26.2 31.0 92 122 A R G 34 S+ 0 0 101 1,-0.2 -1,-0.3 93,-0.1 24,-0.1 0.681 97.2 57.8 -64.4 -17.0 19.0 24.7 34.5 93 123 A A G <4 S+ 0 0 5 -3,-2.3 23,-2.4 22,-0.1 -1,-0.2 0.693 91.3 87.7 -86.6 -16.5 15.7 23.0 33.6 94 124 A V E << +D 115 0A 1 -3,-1.2 92,-0.5 -4,-0.5 2,-0.3 -0.537 48.4 175.8 -91.1 148.0 17.1 21.1 30.6 95 125 A S E -DE 114 185A 0 19,-2.4 19,-2.2 -2,-0.2 2,-0.4 -0.987 16.0-151.1-146.2 146.5 18.7 17.6 30.6 96 126 A L E +DE 113 184A 0 88,-2.0 88,-2.4 -2,-0.3 2,-0.3 -0.966 23.1 171.9-120.3 135.8 19.9 15.4 27.8 97 127 A A E -DE 112 183A 0 15,-1.6 15,-3.1 -2,-0.4 2,-0.4 -0.999 20.4-166.2-150.7 145.3 19.9 11.6 28.1 98 128 A I E - E 0 182A 3 84,-2.8 84,-1.4 -2,-0.3 111,-0.6 -0.996 17.4-144.7-131.0 135.9 20.5 8.5 26.1 99 129 A N B -I 208 0B 6 11,-0.4 -42,-0.5 -2,-0.4 109,-0.2 -0.703 15.6-120.7 -99.2 152.2 19.6 5.0 27.2 100 130 A S > - 0 0 2 107,-2.5 3,-1.0 -2,-0.3 79,-0.1 -0.166 43.6 -87.4 -77.3-179.3 21.4 1.7 26.6 101 131 A R G > S+ 0 0 166 77,-0.7 3,-1.0 1,-0.3 78,-0.1 0.824 128.9 49.8 -61.7 -36.7 19.8 -1.2 24.7 102 132 A T G 3 S+ 0 0 30 1,-0.2 -1,-0.3 104,-0.2 105,-0.1 0.593 113.4 49.1 -79.1 -9.3 18.2 -2.7 27.8 103 133 A G G < S+ 0 0 15 -3,-1.0 2,-0.3 104,-0.3 -1,-0.2 0.181 111.5 54.3-113.1 16.5 16.8 0.7 28.7 104 134 A R < - 0 0 27 -3,-1.0 3,-0.1 1,-0.1 -4,-0.0 -0.894 53.7-158.7-141.5 169.2 15.4 1.4 25.3 105 135 A T S S+ 0 0 106 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.540 75.0 76.4-123.2 -21.3 13.0 -0.1 22.7 106 136 A Q - 0 0 32 2,-0.1 -104,-0.2 -104,-0.1 4,-0.1 -0.801 63.4-152.6-100.1 133.7 14.2 1.8 19.6 107 137 A N + 0 0 46 -106,-2.4 2,-0.4 -2,-0.4 -51,-0.1 -0.082 68.4 89.2 -98.8 38.0 17.4 0.8 17.7 108 138 A H S S- 0 0 1 -55,-0.1 -53,-0.3 -107,-0.1 -52,-0.1 -0.983 91.7 -96.2-134.0 117.6 18.2 4.2 16.2 109 139 A F + 0 0 1 -55,-3.2 2,-0.3 -2,-0.4 -53,-0.1 0.065 53.8 169.4 -32.2 122.1 20.4 6.5 18.2 110 140 A H - 0 0 19 -11,-0.2 2,-0.5 -61,-0.1 -11,-0.4 -0.954 25.7-156.1-151.7 131.0 18.3 9.1 20.1 111 141 A I E -C 48 0A 0 -63,-2.2 -63,-1.8 -2,-0.3 2,-0.6 -0.879 20.7-135.1-102.9 131.9 18.9 11.6 22.8 112 142 A H E -CD 47 97A 11 -15,-3.1 -15,-1.6 -2,-0.5 2,-0.7 -0.787 16.2-165.7 -87.7 116.3 16.0 12.7 25.0 113 143 A I E +CD 46 96A 0 -67,-3.1 -67,-2.0 -2,-0.6 2,-0.2 -0.920 39.5 113.8-103.7 108.5 16.0 16.5 25.4 114 144 A S E - D 0 95A 1 -19,-2.2 -19,-2.4 -2,-0.7 2,-0.2 -0.858 64.2 -48.8-154.0-167.9 13.6 17.2 28.2 115 145 A b E - D 0 94A 0 99,-0.3 99,-2.8 -2,-0.2 -21,-0.2 -0.501 48.3-125.6 -80.9 144.2 13.2 18.6 31.7 116 146 A I B -J 213 0C 0 -23,-2.4 103,-0.3 97,-0.3 97,-0.2 -0.555 32.0-103.4 -83.0 149.8 15.3 17.4 34.6 117 147 A R > - 0 0 68 95,-2.6 4,-2.4 -2,-0.2 5,-0.1 -0.489 26.4-126.1 -70.8 145.7 13.6 16.1 37.7 118 148 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.894 109.3 50.7 -61.6 -40.0 13.6 18.6 40.6 119 149 A D H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 111.4 47.7 -66.5 -38.3 15.2 16.2 43.1 120 150 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 108.8 55.3 -67.6 -38.9 18.0 15.4 40.6 121 151 A R H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 113.2 41.1 -57.8 -46.7 18.5 19.1 40.0 122 152 A E H X S+ 0 0 123 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.896 111.9 54.8 -69.1 -41.8 19.0 19.7 43.7 123 153 A Q H < S+ 0 0 84 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.905 112.3 44.3 -60.3 -41.3 21.1 16.6 44.2 124 154 A L H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.944 111.6 52.3 -69.2 -45.6 23.5 17.8 41.4 125 155 A D H >< S+ 0 0 42 -4,-2.3 3,-1.3 1,-0.3 4,-0.2 0.876 106.2 55.2 -56.9 -40.5 23.6 21.4 42.7 126 156 A N T 3< S+ 0 0 118 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.632 108.6 48.2 -69.6 -15.3 24.5 20.2 46.2 127 157 A N T X> S+ 0 0 27 -3,-1.4 3,-1.1 -4,-0.5 4,-1.0 0.080 70.4 119.0-114.4 26.7 27.5 18.3 44.9 128 158 A L G X4 S+ 0 0 48 -3,-1.3 3,-0.8 1,-0.3 -1,-0.1 0.916 78.6 49.3 -53.4 -47.4 29.0 21.0 42.7 129 159 A A G 34 S+ 0 0 100 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.623 109.0 52.9 -70.5 -15.4 32.2 21.0 44.8 130 160 A N G <4 S+ 0 0 95 -3,-1.1 2,-0.8 1,-0.1 -1,-0.2 0.585 88.3 89.6 -95.1 -12.8 32.5 17.2 44.6 131 161 A I << + 0 0 11 -4,-1.0 2,-0.1 -3,-0.8 19,-0.1 -0.773 57.2 165.7 -92.3 108.0 32.3 17.0 40.8 132 162 A S - 0 0 50 -2,-0.8 19,-3.0 2,-0.4 4,-0.1 -0.409 53.8 -87.7-109.5-173.1 35.7 17.2 39.2 133 163 A S S S+ 0 0 65 17,-0.2 2,-0.4 -2,-0.1 17,-0.1 0.533 106.1 80.3 -75.6 -6.2 37.3 16.5 35.8 134 164 A R S S- 0 0 182 36,-0.0 -2,-0.4 1,-0.0 15,-0.2 -0.866 93.9-110.7-101.7 133.3 37.9 12.9 36.8 135 165 A W + 0 0 24 -2,-0.4 15,-0.2 15,-0.1 -2,-0.1 -0.441 52.1 160.4 -63.0 130.8 35.0 10.5 36.5 136 166 A L E -F 149 0A 90 13,-1.6 13,-2.4 -2,-0.1 -4,-0.0 -0.982 48.5 -86.2-152.1 143.2 34.0 9.6 40.0 137 167 A P E -F 148 0A 80 0, 0.0 11,-0.3 0, 0.0 9,-0.1 -0.241 47.5-115.6 -52.6 132.0 30.8 8.1 41.5 138 168 A L > - 0 0 10 9,-3.4 3,-2.0 1,-0.1 9,-0.3 -0.559 38.1-105.6 -69.3 128.1 28.3 10.9 42.3 139 169 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.404 105.7 10.3 -60.3 118.8 27.9 10.9 46.0 140 170 A G T 3 S- 0 0 81 -2,-0.3 4,-0.3 2,-0.1 5,-0.1 0.136 103.0-129.1 100.2 -19.5 24.4 9.3 46.7 141 171 A G < - 0 0 12 -3,-2.0 2,-0.4 6,-0.2 5,-0.2 -0.145 28.5 -85.1 66.2-171.0 23.9 8.2 43.1 142 172 A L B > S-K 145 0D 1 3,-2.2 3,-2.1 1,-0.1 -1,-0.1 -0.999 98.2 -4.4-137.3 135.1 20.7 9.1 41.3 143 173 A R T 3 S- 0 0 106 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.758 130.3 -56.9 55.1 28.7 17.4 7.2 41.4 144 174 A G T 3 S+ 0 0 67 -4,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.612 116.7 112.1 80.6 11.6 19.1 4.5 43.6 145 175 A H B < S-K 142 0D 25 -3,-2.1 -3,-2.2 -5,-0.1 2,-0.3 -0.866 73.1-109.1-119.4 153.5 21.7 3.9 40.9 146 176 A E - 0 0 126 -2,-0.3 2,-0.4 -5,-0.2 52,-0.4 -0.635 36.0-174.3 -78.5 133.9 25.4 4.5 40.7 147 177 A Y - 0 0 1 -2,-0.3 -9,-3.4 -9,-0.3 2,-0.3 -0.986 18.8-142.8-131.8 120.8 26.3 7.3 38.3 148 178 A L E -FG 137 196A 44 48,-3.5 48,-2.4 -2,-0.4 2,-0.3 -0.639 27.5-160.6 -77.1 140.9 29.9 8.3 37.4 149 179 A A E -FG 136 195A 2 -13,-2.4 -13,-1.6 -2,-0.3 2,-0.3 -0.945 15.2-176.3-128.4 151.2 30.1 12.1 37.1 150 180 A R E - G 0 194A 8 44,-1.9 44,-2.9 -2,-0.3 2,-0.4 -0.996 22.7-131.5-145.9 136.9 32.5 14.5 35.4 151 181 A R E + G 0 193A 78 -19,-3.0 2,-0.3 -2,-0.3 42,-0.2 -0.728 32.8 176.8 -88.2 135.5 32.7 18.3 35.3 152 182 A V E - G 0 192A 0 40,-2.8 40,-3.6 -2,-0.4 2,-0.2 -0.999 22.7-136.0-142.2 144.3 33.2 19.7 31.7 153 183 A T > - 0 0 47 -2,-0.3 4,-2.0 38,-0.2 3,-0.3 -0.574 30.1-113.5 -93.2 159.2 33.5 23.2 30.2 154 184 A E H > S+ 0 0 68 36,-0.2 4,-1.6 1,-0.2 5,-0.2 0.900 118.6 58.9 -57.3 -39.3 31.7 24.2 27.0 155 185 A S H > S+ 0 0 79 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.885 105.6 47.3 -56.9 -42.4 35.1 24.5 25.5 156 186 A E H >> S+ 0 0 67 -3,-0.3 4,-2.4 1,-0.2 3,-0.9 0.899 107.4 57.3 -66.7 -41.6 35.9 20.9 26.2 157 187 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 102.3 53.7 -59.7 -33.2 32.6 19.7 24.8 158 188 A V H 3< S+ 0 0 95 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.739 111.6 48.0 -73.9 -20.8 33.3 21.3 21.4 159 189 A Q H << S+ 0 0 146 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.910 125.7 7.9 -82.7 -46.4 36.5 19.4 21.3 160 190 A R S < S- 0 0 121 -4,-2.4 -1,-0.3 -91,-0.0 -91,-0.0 -0.932 70.3-118.7-137.6 159.1 35.2 16.0 22.3 161 191 A S > - 0 0 12 -2,-0.3 4,-1.9 -99,-0.1 5,-0.2 -0.484 34.2-109.9 -90.7 163.5 31.9 14.2 22.8 162 192 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.835 120.2 56.8 -61.9 -30.5 30.9 12.7 26.1 163 193 A F H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.885 104.8 50.4 -67.5 -40.6 31.3 9.3 24.5 164 194 A X H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 112.3 47.4 -63.8 -42.0 34.9 10.0 23.6 165 195 A X H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 5,-0.3 0.860 111.8 50.1 -68.4 -36.0 35.6 11.1 27.2 166 196 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 7,-0.2 0.950 115.3 42.9 -66.5 -47.6 33.9 8.0 28.6 167 197 A A H < S+ 0 0 9 -4,-2.5 7,-0.4 1,-0.2 6,-0.2 0.888 119.1 42.8 -64.9 -42.2 35.9 5.7 26.3 168 198 A E H < S+ 0 0 126 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.734 125.5 31.5 -77.3 -24.3 39.2 7.5 26.8 169 199 A E H < S+ 0 0 77 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.797 99.5 71.6-108.0 -35.8 38.9 8.0 30.5 170 200 A V S >X S- 0 0 12 -4,-2.2 3,-2.0 -5,-0.3 4,-0.6 -0.774 84.4-107.4 -96.1 127.8 37.0 5.3 32.3 171 201 A P T 34 S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.144 96.1 -7.5 -47.4 131.1 38.5 1.8 32.8 172 202 A E T 34 S+ 0 0 136 1,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 0.676 99.5 111.6 53.8 21.0 36.9 -0.9 30.6 173 203 A A T X4 + 0 0 0 -3,-2.0 3,-1.3 -7,-0.2 -6,-0.2 0.774 69.7 64.3 -88.5 -27.6 34.2 1.5 29.4 174 204 A R T 3< S+ 0 0 171 -4,-0.6 3,-0.5 -7,-0.4 -1,-0.1 0.835 105.7 42.3 -60.0 -36.5 35.7 1.4 25.9 175 205 A E T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -8,-0.1 -2,-0.1 0.341 122.9 39.1 -95.3 6.9 35.0 -2.3 25.6 176 206 A H X + 0 0 82 -3,-1.3 3,-1.7 1,-0.0 4,-0.2 -0.100 64.7 137.9-145.4 38.3 31.5 -2.0 27.0 177 207 A X G > S+ 0 0 14 -3,-0.5 3,-1.9 1,-0.3 -119,-0.1 0.879 72.1 61.4 -55.5 -37.7 30.0 1.2 25.7 178 208 A G G 3 S+ 0 0 22 -120,-0.3 -77,-0.7 1,-0.3 -1,-0.3 0.703 93.6 63.5 -63.4 -19.8 26.7 -0.5 25.1 179 209 A S G < S+ 0 0 29 -3,-1.7 20,-2.5 -6,-0.2 2,-0.3 0.479 94.2 85.1 -84.0 -1.0 26.3 -1.2 28.8 180 210 A Y E < - H 0 198A 17 -3,-1.9 2,-0.4 -4,-0.2 18,-0.2 -0.752 55.5-163.8-108.1 152.0 26.2 2.5 29.5 181 211 A G E - H 0 197A 0 16,-2.1 16,-2.4 -2,-0.3 2,-0.3 -0.934 20.9-163.2-121.0 143.1 23.6 5.2 29.6 182 212 A L E -EH 98 196A 4 -84,-1.4 -84,-2.8 -2,-0.4 2,-0.3 -0.945 10.4-177.6-132.2 154.9 24.8 8.8 29.6 183 213 A A E -EH 97 195A 2 12,-2.2 12,-2.4 -2,-0.3 2,-0.4 -0.946 13.2-146.9-144.7 164.7 23.3 12.2 30.4 184 214 A X E +EH 96 194A 0 -88,-2.4 -88,-2.0 -2,-0.3 2,-0.3 -0.999 17.7 170.0-139.2 133.0 24.3 15.9 30.4 185 215 A V E -EH 95 193A 0 8,-2.0 8,-3.3 -2,-0.4 2,-0.4 -0.988 31.7-121.0-140.0 144.4 23.2 18.7 32.8 186 216 A R E - H 0 192A 23 -92,-0.5 6,-0.3 -95,-0.4 2,-0.1 -0.718 28.8-139.2 -90.3 139.6 24.5 22.2 33.1 187 217 A Q > - 0 0 7 4,-3.3 3,-1.7 -2,-0.4 -62,-0.1 -0.435 25.8 -99.9 -92.0 171.0 25.8 23.2 36.5 188 218 A S T 3 S+ 0 0 69 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.664 120.3 55.3 -63.0 -21.8 25.4 26.5 38.4 189 219 A D T 3 S- 0 0 66 2,-0.1 -1,-0.3 -61,-0.0 3,-0.1 0.273 122.2-104.7 -95.6 13.5 28.9 27.8 37.5 190 220 A N S < S+ 0 0 101 -3,-1.7 -36,-0.2 1,-0.3 -2,-0.1 0.429 88.4 115.8 78.5 3.4 27.9 27.4 33.8 191 221 A S - 0 0 6 -38,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.351 63.6-120.3 -86.0 178.5 30.1 24.3 33.4 192 222 A F E -GH 152 186A 0 -40,-3.6 -40,-2.8 -6,-0.3 2,-0.5 -0.825 9.6-139.4-119.4 161.5 28.3 21.0 32.6 193 223 A V E -GH 151 185A 0 -8,-3.3 -8,-2.0 -2,-0.3 2,-0.4 -0.986 11.8-153.3-121.3 129.8 28.2 17.7 34.4 194 224 A L E -GH 150 184A 2 -44,-2.9 -44,-1.9 -2,-0.5 2,-0.4 -0.870 12.2-161.4-101.5 136.5 28.4 14.4 32.4 195 225 A L E -GH 149 183A 1 -12,-2.4 -12,-2.2 -2,-0.4 2,-0.4 -0.948 9.0-176.4-122.2 139.7 26.7 11.4 34.0 196 226 A A E -GH 148 182A 1 -48,-2.4 -48,-3.5 -2,-0.4 2,-0.4 -0.998 1.3-177.9-137.6 131.1 27.3 7.8 33.1 197 227 A T E - H 0 181A 1 -16,-2.4 -16,-2.1 -2,-0.4 2,-0.4 -0.991 13.9-143.7-132.9 139.6 25.5 4.8 34.6 198 228 A Q E - H 0 180A 81 -52,-0.4 9,-0.3 -2,-0.4 -18,-0.2 -0.819 27.8 -96.3-111.6 143.6 26.1 1.1 33.9 199 229 A R + 0 0 125 -20,-2.5 2,-0.3 -2,-0.4 7,-0.2 -0.158 47.6 175.2 -48.4 137.8 23.8 -1.9 33.6 200 230 A N B > -L 205 0E 60 5,-2.4 5,-2.6 1,-0.1 4,-0.5 -0.864 29.1-156.0-155.7 116.2 23.7 -3.7 36.9 201 231 A L T > 5S+ 0 0 149 -2,-0.3 3,-1.0 3,-0.2 -1,-0.1 0.907 92.6 54.9 -56.7 -47.4 21.5 -6.7 37.9 202 232 A L T 3 5S+ 0 0 158 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.873 114.8 35.7 -59.7 -42.9 21.6 -6.1 41.6 203 233 A T T 3 5S- 0 0 50 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.368 111.1-117.2 -93.2 7.5 20.4 -2.5 41.6 204 234 A L T < 5 + 0 0 139 -3,-1.0 2,-0.7 -4,-0.5 -3,-0.2 0.854 54.6 168.0 60.4 37.2 18.0 -3.2 38.7 205 235 A N B < +L 200 0E 6 -5,-2.6 -5,-2.4 1,-0.1 -1,-0.2 -0.748 21.7 177.0 -86.9 113.1 20.0 -0.7 36.6 206 236 A R - 0 0 152 -2,-0.7 -106,-0.3 -7,-0.2 -104,-0.2 0.288 54.3-111.1 -93.6 7.9 19.0 -1.1 33.0 207 237 A A + 0 0 0 -9,-0.3 -107,-2.5 1,-0.2 2,-0.8 0.951 62.5 158.0 60.4 50.4 21.3 1.9 32.2 208 238 A S B > -I 99 0B 28 -109,-0.2 3,-2.0 1,-0.2 -1,-0.2 -0.816 19.8-178.3-107.7 90.0 18.3 4.1 31.3 209 239 A A G > S+ 0 0 0 -2,-0.8 3,-2.1 -111,-0.6 -1,-0.2 0.754 73.2 79.7 -57.5 -28.8 19.7 7.7 31.8 210 240 A E G > S+ 0 0 44 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.661 71.0 86.1 -55.0 -14.1 16.3 9.1 30.9 211 241 A E G < S+ 0 0 35 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.654 78.7 61.4 -65.1 -14.7 15.4 8.3 34.5 212 242 A I G < S+ 0 0 0 -3,-2.1 -95,-2.6 -4,-0.1 -1,-0.3 0.482 93.7 88.8 -88.7 0.7 16.8 11.6 35.7 213 243 A Q B < -J 116 0C 13 -3,-2.1 2,-0.4 -97,-0.2 -97,-0.3 -0.634 60.4-157.1-101.3 154.9 14.2 13.4 33.5 214 244 A D > - 0 0 34 -99,-2.8 3,-2.3 -2,-0.2 -99,-0.3 -0.883 4.1-168.8-128.9 96.2 10.6 14.5 34.3 215 245 A H T 3 S+ 0 0 20 -2,-0.4 -171,-0.5 1,-0.3 -170,-0.3 0.508 85.6 64.9 -67.6 -2.7 8.7 14.8 31.0 216 246 A Q T 3 S- 0 0 128 -174,-0.2 -1,-0.3 -173,-0.1 -174,-0.1 0.365 100.5-138.4 -96.8 3.2 5.9 16.5 32.9 217 247 A b X + 0 0 14 -3,-2.3 3,-1.1 1,-0.1 -2,-0.1 0.823 40.3 163.1 42.9 55.2 8.3 19.4 33.6 218 248 A E T 3 + 0 0 151 1,-0.2 -1,-0.1 2,-0.2 -101,-0.1 0.641 67.1 73.7 -74.0 -11.3 7.3 20.2 37.2 219 249 A I T 3 0 0 53 -103,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.763 360.0 360.0 -72.5 -21.1 10.6 22.1 37.6 220 250 A L < 0 0 69 -3,-1.1 -1,-0.2 -127,-0.1 -2,-0.2 0.810 360.0 360.0 -88.2 360.0 9.1 24.9 35.5 221 !* 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 0.0 222 31 B S 0 0 75 0, 0.0 106,-2.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -4.7 -7.4 54.3 23.4 223 32 B D > + 0 0 83 104,-0.2 4,-2.5 1,-0.1 5,-0.2 0.235 360.0 104.0-113.3 11.5 -6.6 52.5 26.7 224 33 B T H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.867 83.3 46.5 -65.3 -38.1 -9.2 49.7 26.7 225 34 B L H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 111.9 52.1 -68.6 -41.0 -6.7 46.9 25.7 226 35 B R H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.953 109.5 49.9 -56.0 -50.5 -4.2 48.2 28.4 227 36 B K H X S+ 0 0 109 -4,-2.5 4,-1.9 1,-0.2 5,-0.4 0.817 106.1 55.6 -59.1 -35.6 -7.0 48.1 31.0 228 37 B 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