==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-08 2VU5 . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MISRA,A.AGGARWAL,D.DUBE,M.S.ZAMAN,Y.SINGH,R.RAMACHANDRAN . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 67.6 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 . 20 13.5 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 2 1 0 0 2 0 2 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 . 0 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 120 0, 0.0 77,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.3 -15.2 39.6 -1.5 2 2 A E - 0 0 61 75,-0.1 75,-2.2 74,-0.1 2,-0.4 -0.195 360.0-163.9 -59.6 144.4 -11.7 40.2 -3.1 3 3 A K E -A 76 0A 63 73,-0.2 2,-0.3 117,-0.1 73,-0.2 -0.990 5.5-168.3-134.7 142.1 -8.5 39.5 -1.1 4 4 A T E -A 75 0A 0 71,-2.3 71,-2.0 -2,-0.4 2,-0.5 -0.922 20.8-125.1-126.9 156.1 -4.8 40.5 -1.5 5 5 A F E +A 74 0A 0 -2,-0.3 112,-2.1 69,-0.2 2,-0.4 -0.888 29.0 178.5 -98.3 128.5 -1.6 39.4 0.0 6 6 A L E -AB 73 116A 0 67,-2.3 67,-2.8 -2,-0.5 2,-0.4 -0.980 3.9-173.0-129.3 141.2 0.6 42.2 1.5 7 7 A M E -AB 72 115A 0 108,-2.8 108,-2.5 -2,-0.4 2,-0.6 -0.988 22.8-139.0-140.8 124.9 3.9 41.6 3.3 8 8 A V E -AB 71 114A 0 63,-3.1 63,-1.9 -2,-0.4 106,-0.3 -0.771 34.5-133.2 -77.6 122.0 6.1 44.1 5.2 9 9 A K >> - 0 0 7 104,-2.6 4,-1.8 -2,-0.6 3,-0.8 -0.201 28.6 -94.1 -72.6 165.9 9.7 43.1 4.0 10 10 A P H 3> S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.829 126.1 57.6 -56.0 -30.5 12.5 42.7 6.6 11 11 A D H 3> S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.869 104.5 49.7 -65.9 -37.1 13.5 46.3 6.1 12 12 A G H <4>S+ 0 0 0 -3,-0.8 5,-2.5 101,-0.4 6,-0.4 0.866 112.2 49.8 -68.2 -34.9 10.0 47.6 7.1 13 13 A V H ><5S+ 0 0 31 -4,-1.8 3,-1.1 56,-0.2 -2,-0.2 0.942 113.2 45.0 -61.0 -52.1 10.2 45.4 10.2 14 14 A Q H 3<5S+ 0 0 145 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 112.0 51.4 -66.8 -37.3 13.7 46.7 11.2 15 15 A R T 3<5S- 0 0 121 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.403 114.2-118.1 -87.5 3.0 12.8 50.3 10.5 16 16 A A T < 5S+ 0 0 84 -3,-1.1 4,-0.2 -4,-0.2 -3,-0.2 0.915 71.1 131.5 69.8 47.6 9.7 50.0 12.7 17 17 A F >< + 0 0 26 -5,-2.5 4,-2.2 2,-0.1 5,-0.2 0.274 33.4 102.6-110.0 6.2 6.9 50.7 10.1 18 18 A I H > S+ 0 0 45 -6,-0.4 4,-2.5 1,-0.2 5,-0.2 0.960 85.7 44.6 -58.7 -50.5 4.5 47.8 10.8 19 19 A G H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.895 112.8 50.8 -59.6 -45.8 2.0 49.9 12.7 20 20 A E H > S+ 0 0 109 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.889 112.2 47.4 -61.7 -42.3 2.1 52.8 10.3 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.927 112.4 47.6 -66.3 -47.5 1.5 50.5 7.3 22 22 A V H X S+ 0 0 24 -4,-2.5 4,-2.4 -5,-0.2 3,-0.3 0.947 109.1 56.3 -57.4 -47.3 -1.4 48.6 9.0 23 23 A A H X S+ 0 0 43 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.834 101.9 55.9 -54.0 -40.0 -3.0 52.0 10.0 24 24 A R H X S+ 0 0 68 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.918 111.1 42.8 -61.9 -44.1 -3.1 53.2 6.4 25 25 A F H X>S+ 0 0 0 -4,-1.4 5,-1.7 -3,-0.3 4,-1.0 0.852 114.4 51.9 -69.1 -34.7 -5.1 50.1 5.3 26 26 A E H <5S+ 0 0 99 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.917 110.5 46.8 -64.9 -45.6 -7.3 50.3 8.4 27 27 A K H <5S+ 0 0 191 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.815 105.8 60.6 -66.7 -31.8 -8.1 54.1 7.8 28 28 A K H <5S- 0 0 117 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.830 119.0-112.0 -64.7 -31.2 -8.8 53.3 4.1 29 29 A G T <5 + 0 0 3 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.1 0.448 67.1 142.0 112.5 5.6 -11.6 51.0 5.2 30 30 A F < - 0 0 14 -5,-1.7 2,-0.5 47,-0.1 -1,-0.3 -0.325 48.9-119.7 -76.4 160.4 -10.2 47.6 4.2 31 31 A Q E -C 76 0A 6 45,-2.7 45,-2.7 -2,-0.0 2,-0.5 -0.914 13.1-137.5-111.1 125.6 -10.7 44.5 6.4 32 32 A L E +C 75 0A 46 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.651 31.0 163.0 -81.7 119.7 -7.8 42.6 7.9 33 33 A V E + 0 0 5 41,-2.8 104,-3.1 -2,-0.5 2,-0.3 0.524 63.6 19.9-118.4 -7.1 -8.4 38.8 7.7 34 34 A G E +C 74 0A 6 40,-1.2 40,-2.5 102,-0.2 -1,-0.3 -0.953 61.1 163.5-159.4 140.3 -5.0 37.3 8.3 35 35 A A E +C 73 0A 47 100,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.907 3.8 156.7-160.6 130.1 -1.8 38.5 9.9 36 36 A K E -C 72 0A 46 36,-2.5 36,-2.7 -2,-0.3 2,-0.5 -0.968 35.7-133.2-153.5 144.9 1.3 36.9 11.3 37 37 A L E +C 71 0A 107 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.805 49.0 157.1 -85.0 134.9 4.9 37.8 12.0 38 38 A M E -C 70 0A 32 32,-2.3 32,-2.6 -2,-0.5 2,-0.4 -0.992 44.2-113.8-159.4 161.0 7.0 34.9 10.6 39 39 A Q - 0 0 85 -2,-0.3 2,-0.4 30,-0.2 26,-0.1 -0.830 33.0-124.6 -98.5 133.7 10.3 33.8 9.3 40 40 A V - 0 0 1 -2,-0.4 28,-0.1 28,-0.4 3,-0.0 -0.701 35.1-161.7 -76.8 129.4 10.6 32.8 5.6 41 41 A T > - 0 0 54 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.643 32.5-108.0-109.1 165.5 12.0 29.2 5.5 42 42 A P H > S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 119.6 57.8 -59.7 -36.2 13.7 27.2 2.7 43 43 A E H > S+ 0 0 171 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.907 110.5 41.8 -60.2 -45.9 10.5 25.1 2.4 44 44 A I H > S+ 0 0 25 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.939 117.7 46.8 -63.4 -51.4 8.4 28.2 1.7 45 45 A A H < S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 4,-0.4 0.830 110.3 52.7 -63.7 -34.4 11.0 29.7 -0.7 46 46 A G H >< S+ 0 0 51 -4,-2.7 3,-0.8 -5,-0.2 4,-0.5 0.822 88.1 80.8 -71.3 -31.0 11.6 26.4 -2.6 47 47 A Q H 3< S+ 0 0 111 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.871 117.4 7.3 -41.4 -49.2 7.9 25.9 -3.4 48 48 A H T >< S+ 0 0 45 -4,-0.5 3,-1.7 -3,-0.4 -1,-0.3 0.138 90.0 115.4-125.9 20.2 8.0 28.4 -6.3 49 49 A Y G X S+ 0 0 105 -3,-0.8 3,-1.8 -4,-0.4 4,-0.2 0.823 71.9 67.1 -64.2 -28.6 11.7 29.3 -6.7 50 50 A A G 3 S+ 0 0 91 -4,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.740 97.9 55.0 -59.5 -22.0 11.7 27.6 -10.2 51 51 A E G <> S+ 0 0 76 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.254 73.5 108.5 -95.9 12.6 9.3 30.4 -11.3 52 52 A H T <4 + 0 0 62 -3,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.726 69.5 62.0 -67.0 -25.7 11.6 33.3 -10.2 53 53 A E T 4 S+ 0 0 156 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.961 115.4 31.9 -62.6 -51.7 12.5 34.3 -13.8 54 54 A E T 4 S+ 0 0 133 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.718 132.9 34.5 -76.2 -25.6 8.8 35.2 -14.6 55 55 A K >< - 0 0 52 -4,-2.0 3,-1.3 -6,-0.1 4,-0.3 -0.808 66.0-169.8-135.8 95.3 8.1 36.3 -11.0 56 56 A P T >> S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.612 79.9 74.1 -61.8 -18.8 11.0 38.1 -9.2 57 57 A F H 3> S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 90.8 57.4 -59.1 -44.1 9.2 38.0 -5.8 58 58 A F H <4 S+ 0 0 3 -3,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.664 106.5 51.0 -62.9 -17.0 10.0 34.2 -5.6 59 59 A G H X> S+ 0 0 25 -3,-0.8 4,-1.0 -4,-0.3 3,-0.8 0.873 107.8 50.5 -79.4 -46.3 13.6 35.2 -6.0 60 60 A E H 3X S+ 0 0 57 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.793 98.8 67.1 -60.9 -36.4 13.4 37.8 -3.2 61 61 A L H 3X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.891 96.1 56.1 -51.3 -41.6 11.9 35.2 -0.9 62 62 A V H X> S+ 0 0 63 -3,-0.8 3,-1.1 -4,-0.4 4,-0.5 0.938 104.9 51.7 -59.7 -45.9 15.2 33.3 -1.0 63 63 A D H >< S+ 0 0 108 -4,-1.0 3,-0.6 1,-0.2 4,-0.4 0.821 102.6 60.7 -59.5 -29.8 17.0 36.4 0.3 64 64 A F H >X S+ 0 0 17 -4,-1.4 3,-0.8 -3,-0.3 4,-0.8 0.745 83.7 79.1 -73.9 -21.6 14.6 36.7 3.2 65 65 A I H << S+ 0 0 44 -3,-1.1 -1,-0.2 -4,-0.9 3,-0.2 0.896 108.6 26.5 -50.1 -43.7 15.5 33.3 4.6 66 66 A T T << S+ 0 0 127 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.420 113.3 68.4-104.0 5.1 18.6 34.7 6.2 67 67 A S T <4 S- 0 0 55 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.1 0.548 102.3 -74.6-106.2 -2.4 17.7 38.4 6.6 68 68 A G < - 0 0 15 -4,-0.8 -28,-0.4 -3,-0.2 -1,-0.3 -0.559 59.4 -54.4 125.8 157.2 15.0 38.8 9.3 69 69 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -56,-0.2 -0.233 42.6-146.7 -72.6 163.1 11.3 38.2 9.8 70 70 A V E - C 0 38A 0 -32,-2.6 -32,-2.3 -57,-0.1 2,-0.6 -0.795 13.6-127.8-119.8 160.6 8.5 39.5 7.6 71 71 A F E -AC 8 37A 33 -63,-1.9 -63,-3.1 -2,-0.3 2,-0.4 -0.958 28.5-162.8-116.6 111.2 4.9 40.6 8.6 72 72 A A E +AC 7 36A 0 -36,-2.7 -36,-2.5 -2,-0.6 2,-0.3 -0.800 12.2 175.7-101.0 138.3 2.4 38.8 6.3 73 73 A M E -AC 6 35A 0 -67,-2.8 -67,-2.3 -2,-0.4 2,-0.4 -0.962 24.8-150.7-142.2 150.7 -1.1 40.0 5.9 74 74 A V E -AC 5 34A 0 -40,-2.5 -41,-2.8 -2,-0.3 -40,-1.2 -0.997 20.4-169.1-122.6 122.7 -4.3 39.3 4.0 75 75 A W E -AC 4 32A 1 -71,-2.0 -71,-2.3 -2,-0.4 2,-0.4 -0.884 4.0-155.1-112.1 147.1 -6.7 42.2 3.4 76 76 A Q E +AC 3 31A 20 -45,-2.7 -45,-2.7 -2,-0.4 2,-0.3 -0.949 33.2 97.4-124.7 137.0 -10.2 42.0 2.0 77 77 A G S > S- 0 0 0 -75,-2.2 3,-1.8 -2,-0.4 4,-0.2 -0.904 70.4 -48.9 168.1 175.8 -12.4 44.5 0.2 78 78 A E T 3 S- 0 0 140 1,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.440 121.8 -9.5 -67.6 126.8 -13.7 45.8 -3.1 79 79 A G T 3> S+ 0 0 28 -2,-0.2 4,-2.2 1,-0.1 -1,-0.3 0.715 88.1 150.0 58.4 26.9 -10.9 46.3 -5.6 80 80 A V H <> + 0 0 0 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.806 60.7 59.1 -63.1 -33.3 -8.3 45.6 -2.9 81 81 A V H > S+ 0 0 3 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.976 115.3 32.8 -60.8 -54.5 -5.6 44.1 -5.2 82 82 A D H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.868 118.8 52.7 -72.5 -36.0 -5.3 47.1 -7.5 83 83 A T H X S+ 0 0 43 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.902 106.2 53.2 -65.4 -40.5 -6.0 49.7 -4.8 84 84 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.884 107.3 52.9 -65.0 -33.7 -3.3 48.3 -2.5 85 85 A R H X S+ 0 0 113 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.917 108.9 50.1 -64.9 -42.9 -0.8 48.6 -5.4 86 86 A N H < S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 110.8 48.5 -55.8 -47.6 -1.9 52.2 -5.7 87 87 A M H < S+ 0 0 37 -4,-2.5 14,-2.4 1,-0.2 -2,-0.2 0.787 110.4 51.1 -66.9 -32.8 -1.3 52.8 -2.0 88 88 A M H < S- 0 0 4 -4,-1.9 14,-2.8 12,-0.2 15,-0.4 0.840 101.7-148.1 -70.7 -36.0 2.1 51.1 -2.1 89 89 A G < - 0 0 13 -4,-1.8 -1,-0.1 -5,-0.2 7,-0.1 -0.242 42.1 -21.4 88.4 174.0 3.3 53.3 -5.0 90 90 A K - 0 0 123 5,-0.2 6,-0.2 2,-0.1 5,-0.1 -0.156 63.8-116.7 -51.1 146.0 5.8 52.3 -7.8 91 91 A T S S+ 0 0 76 4,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.869 106.4 64.7 -55.3 -43.5 8.2 49.4 -7.0 92 92 A R S >> S- 0 0 134 1,-0.2 3,-1.6 18,-0.0 4,-0.8 -0.772 80.8-149.4 -82.5 114.1 11.1 51.8 -7.3 93 93 A P T 34 S+ 0 0 8 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.791 94.3 64.7 -61.6 -26.3 10.8 54.2 -4.5 94 94 A H T 34 S+ 0 0 145 13,-0.3 14,-0.1 1,-0.2 -3,-0.0 0.844 109.2 41.4 -59.4 -29.3 12.5 57.0 -6.5 95 95 A E T <4 S+ 0 0 96 -3,-1.6 -1,-0.2 2,-0.1 2,-0.2 0.583 94.7 105.3 -93.1 -12.5 9.5 56.8 -8.9 96 96 A A S < S- 0 0 12 -4,-0.8 -7,-0.1 -3,-0.4 3,-0.1 -0.480 72.7-117.0 -75.3 139.4 6.9 56.4 -6.1 97 97 A A > - 0 0 55 -2,-0.2 3,-2.0 1,-0.1 6,-0.4 -0.445 29.8-102.1 -72.2 143.3 4.6 59.4 -5.4 98 98 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.365 112.2 45.1 -60.1 144.0 4.7 61.2 -2.0 99 99 A G T 3 S+ 0 0 54 1,-0.5 2,-0.2 2,-0.1 -10,-0.1 0.052 95.3 96.4 100.7 -25.1 1.6 60.0 -0.1 100 100 A T S <> S- 0 0 19 -3,-2.0 4,-2.3 1,-0.1 -1,-0.5 -0.537 87.3-111.2 -88.9 165.7 2.2 56.3 -1.1 101 101 A I H > S+ 0 0 0 -14,-2.4 4,-2.0 2,-0.2 5,-0.3 0.949 118.3 39.4 -66.8 -50.0 4.0 53.9 1.2 102 102 A R H > S+ 0 0 14 -14,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.902 115.3 55.5 -66.8 -35.5 7.2 53.5 -0.9 103 103 A G H 4 S+ 0 0 25 -15,-0.4 -2,-0.2 -6,-0.4 -1,-0.2 0.876 115.9 35.5 -60.2 -40.3 7.0 57.2 -1.7 104 104 A D H < S+ 0 0 69 -4,-2.3 -1,-0.2 -7,-0.2 -2,-0.2 0.754 132.6 22.2 -85.4 -27.4 7.0 58.3 2.0 105 105 A F H < S+ 0 0 31 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.570 102.4 76.2-122.4 -16.8 9.3 55.6 3.5 106 106 A G < + 0 0 13 -4,-2.1 6,-0.1 -5,-0.3 3,-0.1 -0.771 33.5 175.1-112.1 154.1 11.6 54.0 0.9 107 107 A V + 0 0 117 4,-0.6 -13,-0.3 -2,-0.3 2,-0.3 0.726 68.3 35.4-114.2 -51.8 14.8 55.1 -0.9 108 108 A T - 0 0 69 3,-0.5 -1,-0.3 -15,-0.1 3,-0.2 -0.711 68.7-126.1-113.6 157.9 16.1 52.1 -2.9 109 109 A V S > S+ 0 0 61 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.854 110.8 60.7 -68.5 -29.5 14.4 49.3 -4.9 110 110 A A T 3 S+ 0 0 72 1,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.879 116.1 30.3 -59.3 -40.1 16.5 46.8 -2.8 111 111 A K T 3 S+ 0 0 126 -3,-0.2 -4,-0.6 1,-0.1 -3,-0.5 -0.699 75.8 149.5-124.7 73.8 14.9 47.9 0.5 112 112 A N < - 0 0 2 -3,-0.6 2,-2.3 -2,-0.5 -6,-0.1 0.025 50.1-130.7-110.8 26.5 11.4 49.0 -0.7 113 113 A I S S+ 0 0 0 -8,-0.1 -104,-2.6 -105,-0.1 -101,-0.4 -0.209 70.1 35.1 80.0 -48.9 9.5 48.2 2.5 114 114 A I E -B 8 0A 0 -2,-2.3 2,-0.4 -106,-0.3 -106,-0.2 -0.962 52.1-153.9-149.8 144.8 6.5 46.2 1.2 115 115 A H E +B 7 0A 20 -108,-2.5 -108,-2.8 -2,-0.3 2,-0.3 -0.979 16.0 176.9-115.8 142.1 5.2 43.6 -1.3 116 116 A G E -B 6 0A 9 -2,-0.4 -110,-0.2 -110,-0.2 7,-0.0 -0.991 40.8 -88.2-136.3 152.3 1.7 43.2 -2.5 117 117 A S - 0 0 1 -112,-2.1 -32,-0.1 -2,-0.3 3,-0.1 -0.181 26.9-148.0 -51.1 138.7 0.1 40.9 -5.1 118 118 A D S S+ 0 0 67 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.579 75.9 4.6 -87.1 -13.4 0.2 42.2 -8.7 119 119 A S S > S- 0 0 40 1,-0.1 4,-2.4 -38,-0.0 5,-0.1 -0.953 79.1 -98.5-157.9 171.9 -3.0 40.5 -9.8 120 120 A L H > S+ 0 0 99 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.865 121.9 54.9 -64.7 -37.0 -5.9 38.4 -8.4 121 121 A E H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 110.9 42.1 -66.0 -45.7 -4.2 35.3 -9.8 122 122 A S H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.885 110.7 58.6 -71.8 -32.4 -1.0 36.0 -7.9 123 123 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.942 106.1 48.4 -55.3 -49.0 -3.0 37.0 -4.8 124 124 A E H X S+ 0 0 133 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.941 115.0 45.3 -59.6 -44.1 -4.6 33.6 -4.7 125 125 A R H X S+ 0 0 51 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.927 114.6 46.5 -64.6 -46.4 -1.3 31.8 -5.1 126 126 A E H X S+ 0 0 6 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.901 110.3 52.5 -68.8 -40.8 0.6 34.0 -2.5 127 127 A I H X S+ 0 0 11 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.947 109.4 51.1 -54.9 -48.3 -2.2 33.7 0.1 128 128 A G H < S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.782 109.3 51.3 -60.3 -31.4 -2.0 29.8 -0.3 129 129 A I H < S+ 0 0 19 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.904 120.2 30.7 -73.1 -39.2 1.7 29.8 0.2 130 130 A F H < S+ 0 0 4 -4,-1.9 2,-0.4 -3,-0.1 -2,-0.2 0.757 117.5 47.2 -96.6 -23.4 1.8 31.9 3.4 131 131 A F < - 0 0 12 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.1 -0.946 64.7-140.3-125.7 137.2 -1.5 31.0 5.2 132 132 A K > - 0 0 132 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.659 38.7-108.7 -80.6 151.9 -3.4 27.8 6.0 133 133 A E G > S+ 0 0 157 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.815 118.7 57.8 -48.0 -37.3 -7.1 28.2 5.5 134 134 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.626 96.2 62.2 -80.3 -9.3 -7.6 28.0 9.3 135 135 A E G < S+ 0 0 66 -3,-1.9 2,-0.5 2,-0.1 -100,-0.3 0.520 86.7 87.5 -86.4 -8.0 -5.4 31.1 9.9 136 136 A L S < S- 0 0 35 -3,-1.2 2,-0.4 -4,-0.4 -102,-0.2 -0.828 74.1-145.0 -93.4 128.7 -7.8 33.2 7.8 137 137 A V - 0 0 88 -104,-3.1 2,-0.6 -2,-0.5 -2,-0.1 -0.768 5.8-155.3 -99.2 133.5 -10.5 34.7 10.0 138 138 A D + 0 0 155 -2,-0.4 2,-0.3 2,-0.0 -105,-0.0 -0.932 36.8 136.0-107.4 118.1 -14.1 35.1 8.7 139 139 A Y - 0 0 98 -2,-0.6 2,-0.5 2,-0.0 -2,-0.0 -0.971 51.8-107.7-153.3 163.3 -15.9 37.9 10.6 140 140 A S - 0 0 114 -2,-0.3 2,-0.7 3,-0.0 3,-0.1 -0.856 20.5-147.9-103.9 131.8 -18.2 40.8 9.9 141 141 A K > - 0 0 48 -2,-0.5 3,-1.7 1,-0.2 4,-0.3 -0.891 8.1-151.5 -95.8 113.8 -16.8 44.3 10.4 142 142 A L G > S+ 0 0 152 -2,-0.7 3,-1.9 1,-0.3 -1,-0.2 0.873 91.1 64.1 -55.6 -41.7 -19.7 46.4 11.5 143 143 A M G > S+ 0 0 77 1,-0.3 3,-2.6 2,-0.2 4,-0.4 0.664 78.3 86.1 -62.6 -16.1 -18.3 49.7 10.0 144 144 A N G X> S+ 0 0 29 -3,-1.7 4,-2.4 1,-0.3 3,-0.9 0.777 74.6 72.9 -51.8 -26.6 -18.7 48.1 6.5 145 145 A E G <4 S+ 0 0 149 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.732 105.4 35.9 -57.7 -26.8 -22.3 49.4 6.7 146 146 A W G <4 S+ 0 0 237 -3,-2.6 -1,-0.2 -4,-0.1 -2,-0.2 0.332 115.8 54.7-109.1 4.2 -20.7 52.9 6.1 147 147 A I T <4 0 0 59 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.2 0.756 360.0 360.0-102.0 -33.0 -18.0 51.8 3.8 148 148 A Y < 0 0 116 -4,-2.4 -1,-0.1 0, 0.0 0, 0.0 -0.758 360.0 360.0-112.1 360.0 -20.1 50.0 1.1