==== 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 CARBOXY-LYASE 08-FEB-95 1ORD . COMPND 2 MOLECULE: ORNITHINE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SP.; . AUTHOR M.L.HACKERT,C.MOMANY,S.ERNST,R.GHOSH . 1460 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1078 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 125 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 221 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 429 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.1 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 12 4 3 5 2 3 8 2 0 5 4 0 0 0 0 4 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 4 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 . 15 8 2 0 7 3 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 . 4 4 4 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 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 S 0 0 13 0, 0.0 99,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 100.1 41.8 -5.3 41.4 2 2 A S - 0 0 84 97,-0.1 98,-0.0 3,-0.1 3,-0.0 0.842 360.0 -16.9 -86.9 -48.1 42.8 -3.4 44.6 3 3 A S S S+ 0 0 65 2,-0.1 19,-0.1 18,-0.0 29,-0.0 0.538 120.0 101.1-123.9 -34.1 41.8 0.0 43.5 4 4 A L - 0 0 8 1,-0.1 18,-0.2 95,-0.1 29,-0.2 -0.162 60.4-151.6 -58.1 139.3 41.7 -0.8 39.8 5 5 A K E -a 33 0A 54 27,-2.9 29,-2.0 16,-0.1 30,-0.4 -0.066 14.6-110.8 -93.7-160.1 38.2 -1.5 38.3 6 6 A I E - b 0 23A 0 16,-3.0 18,-1.9 27,-0.2 2,-0.6 -0.994 13.7-146.8-146.5 129.6 37.1 -3.6 35.5 7 7 A A E +ab 36 24A 0 28,-1.5 30,-2.6 -2,-0.4 2,-0.3 -0.883 28.6 165.6 -98.7 116.8 35.8 -2.6 32.1 8 8 A S E -a 37 0A 3 16,-1.2 30,-0.2 -2,-0.6 2,-0.2 -0.942 33.8-123.4-130.2 153.6 33.2 -5.0 30.6 9 9 A T > - 0 0 10 28,-1.7 4,-1.9 -2,-0.3 3,-0.2 -0.557 36.2-105.9 -88.8 156.9 30.8 -4.7 27.7 10 10 A Q H > S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.874 120.9 48.5 -52.3 -39.7 27.1 -5.3 28.5 11 11 A E H 4 S+ 0 0 64 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.878 111.7 47.2 -68.7 -40.9 27.2 -8.7 26.8 12 12 A A H >4 S+ 0 0 0 25,-0.2 3,-1.6 1,-0.2 4,-0.4 0.785 95.9 80.7 -72.7 -22.5 30.3 -9.9 28.5 13 13 A R H >< S+ 0 0 86 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.892 89.5 47.7 -47.4 -59.4 28.9 -8.7 31.9 14 14 A Q T 3< S+ 0 0 121 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.561 107.2 61.0 -61.5 -12.3 26.7 -11.7 32.5 15 15 A Y T < S+ 0 0 69 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.408 97.7 54.3 -99.4 -3.5 29.5 -14.2 31.7 16 16 A F < - 0 0 8 -3,-1.3 72,-0.1 -4,-0.4 21,-0.0 -0.947 57.5-158.3-130.7 158.8 32.2 -13.3 34.3 17 17 A D + 0 0 96 -2,-0.3 2,-3.8 71,-0.3 75,-0.1 0.296 49.6 121.7-125.1 12.7 32.1 -13.2 38.0 18 18 A T > + 0 0 9 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 -0.329 34.3 150.6 -76.9 69.0 34.9 -11.0 39.5 19 19 A D T 3 + 0 0 62 -2,-3.8 -1,-0.2 1,-0.3 4,-0.1 0.026 44.9 89.9 -87.0 15.8 32.0 -9.1 41.0 20 20 A R T 3 S+ 0 0 192 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.814 88.0 49.7 -84.5 -31.5 34.2 -8.2 43.9 21 21 A V S < S- 0 0 31 -3,-1.0 2,-0.5 1,-0.1 -16,-0.1 -0.398 99.1 -79.3-103.6-179.5 35.3 -5.1 42.0 22 22 A V - 0 0 80 -18,-0.2 -16,-3.0 -19,-0.1 2,-0.3 -0.630 44.1-166.3 -79.3 118.1 33.9 -2.1 40.2 23 23 A V E +b 6 0A 32 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.747 11.2 172.4-103.5 149.5 32.9 -3.0 36.6 24 24 A D E -b 7 0A 50 -18,-1.9 -16,-1.2 -2,-0.3 4,-0.1 -0.962 30.7 -92.3-160.2 149.4 32.1 -0.3 34.0 25 25 A A - 0 0 75 -2,-0.3 2,-0.5 -18,-0.2 -16,-0.2 0.401 41.0-100.3 -48.8-178.0 31.4 -0.1 30.3 26 26 A V S S+ 0 0 43 1,-0.2 -1,-0.1 -19,-0.1 -16,-0.1 -0.976 90.4 92.0-124.8 106.5 33.7 0.5 27.5 27 27 A G S S+ 0 0 85 -2,-0.5 -1,-0.2 18,-0.0 -2,-0.1 -0.244 72.5 144.0-171.8 24.3 33.9 4.1 26.1 28 28 A S - 0 0 34 1,-0.1 -2,-0.1 -4,-0.1 -21,-0.0 -0.242 65.4-138.8 -77.6 158.7 36.7 4.1 28.8 29 29 A D - 0 0 76 -3,-0.0 -1,-0.1 -2,-0.0 -3,-0.0 0.277 43.5-133.4 -96.2 2.2 40.0 5.9 28.6 30 30 A F > + 0 0 5 1,-0.1 3,-0.6 2,-0.1 -23,-0.1 0.499 69.2 123.7 58.5 16.2 41.2 2.6 30.1 31 31 A T T 3 S+ 0 0 5 1,-0.2 843,-0.1 837,-0.1 -1,-0.1 0.391 77.8 35.0 -88.0 1.9 43.3 4.3 32.8 32 32 A D T 3 S+ 0 0 23 842,-0.0 -27,-2.9 -28,-0.0 2,-0.5 0.146 95.2 109.0-136.2 16.2 41.7 2.8 35.9 33 33 A V E < -a 5 0A 0 -3,-0.6 -27,-0.2 -29,-0.2 3,-0.1 -0.819 40.1-179.0-102.7 128.8 41.0 -0.6 34.3 34 34 A G E S+ 0 0 0 -29,-2.0 2,-0.3 -2,-0.5 68,-0.2 0.639 76.2 14.8 -99.1 -20.4 43.0 -3.7 35.3 35 35 A A E - 0 0 0 -30,-0.4 -28,-1.5 21,-0.2 2,-0.5 -0.963 67.8-145.0-150.4 144.3 41.4 -6.2 32.9 36 36 A V E -ac 7 58A 0 21,-2.5 23,-3.1 -2,-0.3 2,-0.4 -0.986 15.3-167.8-117.8 130.5 39.1 -5.7 29.9 37 37 A I E +ac 8 59A 0 -30,-2.6 -28,-1.7 -2,-0.5 2,-0.2 -0.966 21.4 141.1-124.2 116.8 36.3 -8.2 29.3 38 38 A A E - c 0 60A 0 21,-2.6 23,-3.4 -2,-0.4 2,-0.4 -0.819 50.9 -88.0-143.8 176.6 34.4 -8.3 26.0 39 39 A M E > - c 0 61A 8 -2,-0.2 3,-2.0 21,-0.2 7,-0.2 -0.755 42.0-115.5 -91.2 142.1 32.8 -10.6 23.4 40 40 A D T 3 S+ 0 0 37 21,-2.5 22,-0.1 -2,-0.4 -1,-0.1 0.718 114.6 53.6 -46.2 -32.6 35.0 -11.8 20.6 41 41 A Y T 3 S+ 0 0 144 1,-0.2 2,-2.4 2,-0.1 -1,-0.3 0.660 84.5 86.3 -80.4 -17.6 33.0 -10.0 17.9 42 42 A E X> + 0 0 38 -3,-2.0 4,-1.2 1,-0.2 3,-0.8 -0.471 57.4 158.8 -80.6 67.8 33.3 -6.7 19.8 43 43 A T H 3> + 0 0 55 -2,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.621 59.9 61.1 -71.1 -18.3 36.6 -6.2 18.0 44 44 A D H 3> S+ 0 0 123 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.758 101.9 52.9 -82.8 -22.2 36.8 -2.4 18.4 45 45 A V H <> S+ 0 0 27 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.916 108.6 49.8 -76.4 -40.3 36.8 -2.7 22.2 46 46 A I H X S+ 0 0 2 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.834 114.7 47.3 -66.0 -27.1 39.7 -5.2 21.9 47 47 A D H X S+ 0 0 63 -4,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.840 109.7 49.5 -80.2 -43.9 41.4 -2.6 19.7 48 48 A A H X S+ 0 0 43 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.943 112.4 49.6 -60.4 -45.6 40.7 0.4 21.9 49 49 A A H < S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.2 7,-0.4 0.898 114.9 47.4 -60.0 -37.9 42.1 -1.6 24.8 50 50 A D H >< S+ 0 0 61 -4,-1.2 3,-2.4 -5,-0.3 5,-0.3 0.970 102.5 56.4 -71.1 -52.2 45.0 -2.4 22.6 51 51 A A H 3< S+ 0 0 57 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 88.7 75.3 -53.8 -31.5 46.0 1.0 21.1 52 52 A T T 3< S- 0 0 23 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.726 94.6-141.6 -54.2 -19.1 46.5 2.6 24.5 53 53 A K < + 0 0 87 -3,-2.4 363,-0.6 -4,-0.2 -1,-0.2 0.647 63.9 127.1 61.3 19.6 49.7 0.6 24.5 54 54 A F S S- 0 0 24 -5,-0.4 -4,-0.1 -4,-0.1 -1,-0.1 0.723 70.0-126.4 -76.4 -33.1 48.9 0.1 28.2 55 55 A G + 0 0 60 -6,-0.3 -5,-0.1 -5,-0.3 -6,-0.0 0.782 43.3 167.0 89.4 26.7 49.1 -3.7 28.4 56 56 A I - 0 0 11 -7,-0.4 2,-0.4 1,-0.1 -1,-0.2 -0.568 42.4-112.4 -75.2 130.8 45.7 -4.3 30.0 57 57 A P - 0 0 19 0, 0.0 -21,-2.5 0, 0.0 2,-0.4 -0.553 31.1-150.1 -71.0 122.1 44.8 -8.0 29.8 58 58 A V E -c 36 0A 2 -2,-0.4 19,-3.4 17,-0.3 20,-1.3 -0.792 7.0-161.3 -96.5 130.9 41.9 -8.6 27.4 59 59 A F E -cd 37 78A 0 -23,-3.1 -21,-2.6 -2,-0.4 2,-0.6 -0.940 6.6-156.7-112.0 123.7 39.5 -11.5 28.0 60 60 A A E -cd 38 79A 0 18,-1.8 20,-2.4 -2,-0.5 2,-0.3 -0.902 6.1-148.0-105.5 118.1 37.3 -12.5 25.0 61 61 A V E +cd 39 80A 0 -23,-3.4 -21,-2.5 -2,-0.6 2,-0.3 -0.641 28.6 172.1 -85.4 134.2 34.1 -14.3 25.7 62 62 A T E - d 0 81A 2 18,-2.5 20,-2.4 -2,-0.3 21,-0.5 -0.893 42.8-162.6-136.5 172.9 33.1 -16.8 23.0 63 63 A K S S+ 0 0 121 -2,-0.3 18,-0.1 18,-0.2 -1,-0.1 0.206 101.8 32.8-136.1 -0.9 30.8 -19.6 22.1 64 64 A D > + 0 0 97 1,-0.0 3,-1.9 2,-0.0 4,-0.4 -0.450 65.2 167.0-157.3 71.8 33.0 -20.9 19.3 65 65 A A G > S+ 0 0 42 1,-0.3 3,-1.2 2,-0.2 -1,-0.0 0.813 75.3 66.3 -64.8 -28.9 36.7 -20.3 20.3 66 66 A Q G 3 S+ 0 0 182 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.711 99.3 57.4 -65.6 -15.0 37.9 -22.5 17.5 67 67 A A G < S+ 0 0 62 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.653 75.2 106.9 -90.4 -18.9 36.5 -19.8 15.2 68 68 A I S < S- 0 0 16 -3,-1.2 2,-0.0 -4,-0.4 -27,-0.0 -0.446 75.2-116.9 -63.3 131.4 38.5 -16.8 16.5 69 69 A S >> - 0 0 63 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.327 16.9-113.6 -71.1 153.7 41.1 -15.9 13.9 70 70 A A H >> S+ 0 0 60 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.945 115.7 59.1 -47.3 -56.9 44.8 -16.0 14.7 71 71 A D H 34 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.777 106.1 45.5 -44.9 -39.3 45.0 -12.2 14.3 72 72 A E H X> S+ 0 0 20 -3,-0.9 3,-1.8 1,-0.2 4,-0.6 0.846 105.6 61.4 -77.7 -29.7 42.4 -11.6 17.1 73 73 A L H X< S+ 0 0 74 -4,-1.9 3,-0.6 -3,-0.9 -2,-0.2 0.820 94.8 63.1 -64.4 -25.2 44.2 -14.1 19.3 74 74 A K T 3< S+ 0 0 179 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.405 104.7 48.9 -76.7 -0.5 47.3 -11.9 19.1 75 75 A K T <4 S+ 0 0 71 -3,-1.8 -17,-0.3 -17,-0.0 -1,-0.2 0.570 101.5 70.0-114.5 -18.4 45.2 -9.2 20.8 76 76 A I << - 0 0 27 -4,-0.6 -17,-0.2 -3,-0.6 3,-0.1 -0.626 56.2-155.4-104.3 162.7 43.7 -11.1 23.8 77 77 A F S S+ 0 0 106 -19,-3.4 2,-0.3 1,-0.4 -18,-0.2 0.853 77.1 0.7 -98.0 -51.1 45.1 -12.6 27.0 78 78 A H E -d 59 0A 70 -20,-1.3 -18,-1.8 2,-0.0 -1,-0.4 -0.977 64.4-127.1-142.4 153.5 42.6 -15.4 27.8 79 79 A I E -d 60 0A 67 -2,-0.3 2,-0.6 -20,-0.2 -18,-0.2 -0.770 14.2-152.1-102.2 142.5 39.4 -16.8 26.3 80 80 A I E -d 61 0A 0 -20,-2.4 -18,-2.5 -2,-0.3 2,-0.9 -0.969 8.5-147.4-119.6 110.6 36.3 -17.2 28.3 81 81 A D E > -d 62 0A 66 -2,-0.6 3,-1.3 -20,-0.2 -18,-0.2 -0.716 7.8-165.8 -75.9 108.2 34.0 -20.0 27.2 82 82 A L T 3 S+ 0 0 40 -20,-2.4 -1,-0.2 -2,-0.9 -19,-0.1 0.872 83.4 62.4 -65.1 -33.0 30.5 -18.8 27.9 83 83 A E T 3 S+ 0 0 125 -21,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.361 90.2 79.7 -76.5 11.0 29.0 -22.3 27.5 84 84 A N < + 0 0 49 -3,-1.3 3,-0.1 1,-0.1 -3,-0.1 -0.940 45.6 174.7-125.5 112.7 31.0 -23.7 30.4 85 85 A K S > S+ 0 0 176 -2,-0.5 3,-0.8 1,-0.2 4,-0.2 0.618 75.1 69.9 -90.4 -12.9 29.8 -23.2 33.9 86 86 A F T > S+ 0 0 182 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.799 97.1 54.1 -74.0 -27.0 32.4 -25.5 35.6 87 87 A D T 3> S+ 0 0 69 1,-0.2 4,-3.3 -6,-0.1 -1,-0.2 0.447 77.4 103.6 -85.6 -0.2 35.1 -22.9 34.7 88 88 A A H <> S+ 0 0 43 -3,-0.8 4,-1.5 1,-0.2 -71,-0.3 0.801 85.2 41.1 -51.5 -38.3 33.2 -20.1 36.4 89 89 A T H <> S+ 0 0 84 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.800 116.6 46.6 -83.7 -34.4 35.5 -20.1 39.5 90 90 A V H > S+ 0 0 47 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.856 110.6 56.0 -75.2 -30.0 38.7 -20.6 37.6 91 91 A N H X S+ 0 0 10 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.960 109.4 45.2 -62.1 -50.5 37.5 -17.8 35.2 92 92 A A H X S+ 0 0 19 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.871 112.8 50.6 -61.6 -40.0 37.1 -15.5 38.1 93 93 A R H X S+ 0 0 159 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.931 110.0 50.3 -63.8 -45.2 40.5 -16.4 39.6 94 94 A E H X S+ 0 0 64 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.963 111.7 47.1 -57.4 -57.2 42.2 -15.8 36.3 95 95 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.886 115.7 46.3 -52.1 -45.3 40.6 -12.4 35.9 96 96 A E H X S+ 0 0 55 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 113.4 47.1 -66.3 -43.3 41.6 -11.5 39.5 97 97 A T H X S+ 0 0 77 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.922 112.9 52.3 -62.2 -43.0 45.1 -12.8 39.2 98 98 A A H >X S+ 0 0 11 -4,-3.0 4,-2.9 -5,-0.3 3,-0.8 0.971 109.5 46.3 -57.4 -58.6 45.4 -10.9 35.9 99 99 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.894 112.6 52.6 -52.6 -44.6 44.3 -7.6 37.3 100 100 A N H 3X S+ 0 0 63 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.824 112.2 43.6 -64.9 -29.7 46.6 -8.1 40.2 101 101 A N H X S+ 0 0 12 -4,-2.9 4,-1.2 1,-0.2 3,-0.8 0.972 113.9 41.1 -53.0 -53.9 48.7 -5.8 35.6 103 103 A E H >X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.3 3,-0.7 0.911 109.4 55.8 -60.7 -47.9 48.9 -3.5 38.6 104 104 A D H 3< S+ 0 0 105 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.748 113.3 46.8 -60.7 -19.3 51.9 -5.1 40.2 105 105 A S H << S+ 0 0 88 -4,-1.7 -1,-0.3 -3,-0.8 -2,-0.2 0.681 108.7 49.1 -97.2 -20.9 53.6 -4.4 36.9 106 106 A I H << S+ 0 0 25 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.905 91.3 86.7 -86.7 -36.1 52.6 -0.8 36.1 107 107 A L S < S- 0 0 10 -4,-1.8 300,-0.1 1,-0.1 765,-0.0 -0.380 78.5-123.8 -68.0 131.7 53.5 0.8 39.5 108 108 A P > - 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.311 30.4-103.3 -68.9 161.9 57.1 2.0 40.0 109 109 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.856 113.8 40.8 -53.8 -55.3 59.1 0.6 43.1 110 110 A F H > S+ 0 0 0 64,-0.2 4,-2.7 2,-0.2 5,-0.3 0.972 115.9 48.6 -65.8 -51.6 59.0 3.5 45.5 111 111 A F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.967 111.2 51.7 -51.7 -52.9 55.4 4.5 44.9 112 112 A K H X S+ 0 0 69 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 112.9 45.3 -51.6 -43.7 54.2 0.9 45.2 113 113 A S H X S+ 0 0 29 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.938 113.4 47.2 -67.6 -48.5 56.1 0.6 48.6 114 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.940 112.4 51.7 -56.9 -46.7 54.9 3.9 50.1 115 115 A K H X S+ 0 0 44 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.860 113.1 44.2 -58.2 -44.0 51.3 3.1 49.0 116 116 A E H < S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.838 110.1 55.8 -71.8 -35.4 51.5 -0.3 50.7 117 117 A Y H >< S+ 0 0 9 -4,-2.6 3,-1.7 1,-0.2 5,-0.4 0.949 107.1 49.0 -62.7 -45.1 53.1 1.1 53.8 118 118 A V H >< S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.840 98.2 70.4 -65.4 -28.3 50.2 3.6 54.2 119 119 A S T 3< S+ 0 0 94 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.530 89.3 64.9 -66.0 -7.0 47.8 0.7 53.8 120 120 A R T < S- 0 0 126 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.564 93.5-136.9 -92.3 -14.7 48.9 -0.6 57.2 121 121 A G < - 0 0 63 -3,-1.7 -3,-0.1 -4,-0.2 -2,-0.1 0.911 31.3-169.5 58.6 42.7 47.7 2.3 59.4 122 122 A L - 0 0 23 -5,-0.4 2,-0.9 1,-0.1 1138,-0.2 -0.339 26.4-117.1 -63.0 147.3 50.9 2.2 61.5 123 123 A I E -e 1260 0B 39 1136,-3.4 1138,-2.8 1135,-0.1 2,-0.6 -0.780 35.6-150.8 -90.2 110.1 50.8 4.3 64.7 124 124 A Q E +e 1261 0B 25 -2,-0.9 1136,-0.0 1136,-0.2 1139,-0.0 -0.740 36.6 158.8 -92.2 121.9 53.5 6.9 64.0 125 125 A F + 0 0 0 1136,-2.1 1148,-2.2 -2,-0.6 1138,-0.3 0.210 58.0 89.6-115.3 6.7 55.5 8.5 66.8 126 126 A D S S- 0 0 3 1135,-0.2 5,-0.2 1136,-0.2 1137,-0.1 -0.191 81.9 -46.4 -88.4-170.1 58.4 9.5 64.6 127 127 A C S S+ 0 0 3 1136,-0.1 32,-0.3 3,-0.1 2,-0.2 -0.707 92.6 81.9-101.3 161.1 58.6 12.8 62.8 128 128 A P S > S- 0 0 3 0, 0.0 3,-1.1 0, 0.0 958,-0.3 0.386 76.1-139.8 -42.4 148.0 57.0 14.8 60.9 129 129 A G T 3 S+ 0 0 0 956,-3.6 1148,-0.4 959,-0.3 957,-0.1 0.685 96.7 72.0 -73.1 -14.6 55.7 16.0 64.3 130 130 A H T 3>>S- 0 0 0 955,-0.5 5,-1.1 960,-0.4 4,-0.9 0.658 86.0-162.4 -72.2 -11.9 52.3 16.4 62.7 131 131 A Q T X45S- 0 0 7 -3,-1.1 3,-0.6 1,-0.2 24,-0.1 0.801 71.2 -9.2 21.9 87.9 52.1 12.6 62.6 132 132 A G T 345S- 0 0 7 22,-0.5 23,-0.3 25,-0.3 -1,-0.2 0.354 116.9 -76.8 86.8 -0.7 49.3 11.8 60.2 133 133 A G T 3>5S+ 0 0 0 -3,-0.5 4,-1.6 21,-0.3 -1,-0.2 0.536 102.5 128.3 84.3 11.4 48.2 15.4 59.9 134 134 A Q T <<5 + 0 0 34 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.530 64.2 56.7 -77.0 -9.8 46.6 14.9 63.3 135 135 A Y T >44 S+ 0 0 0 1,-0.3 3,-1.6 -6,-0.2 7,-0.2 0.845 101.2 56.3 -50.0 -48.6 46.7 20.0 62.1 137 137 A R G 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.470 93.7 70.2 -71.0 0.9 43.1 18.9 62.6 138 138 A K G < S+ 0 0 46 -3,-2.0 -1,-0.3 -4,-0.0 -2,-0.2 0.551 96.4 57.4 -91.9 -7.7 43.1 19.9 66.2 139 139 A H S <> S- 0 0 11 -3,-1.6 4,-3.0 -4,-0.3 5,-0.2 -0.945 86.4-123.1-123.9 143.6 43.2 23.6 65.3 140 140 A P H > S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 697,-0.1 0.751 113.9 38.9 -56.4 -32.7 40.7 25.5 63.2 141 141 A A H > S+ 0 0 0 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.779 115.1 53.5 -86.1 -34.6 43.2 26.7 60.6 142 142 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -5,-0.2 0.891 109.4 51.0 -65.0 -36.5 45.1 23.4 60.7 143 143 A R H X S+ 0 0 47 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.814 104.7 53.8 -68.7 -38.1 41.7 21.8 60.0 144 144 A E H X S+ 0 0 14 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.900 114.5 43.7 -62.0 -39.6 41.0 24.0 57.0 145 145 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.4 0.895 113.2 50.8 -69.9 -45.2 44.4 22.9 55.6 146 146 A Y H X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.930 115.1 41.8 -62.9 -43.3 43.8 19.3 56.5 147 147 A D H < S+ 0 0 85 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.713 111.1 59.6 -74.8 -21.5 40.4 19.2 54.8 148 148 A F H < S+ 0 0 33 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.1 23.4 -73.2 -44.7 41.8 21.2 51.8 149 149 A F H < S- 0 0 8 -4,-2.3 735,-0.4 734,-0.1 4,-0.3 0.721 111.0-126.7 -95.5 -21.6 44.5 18.7 50.9 150 150 A G X - 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0 0 27 -4,-1.8 4,-0.6 -5,-0.4 3,-0.3 0.148 25.4 -78.7 95.8 152.6 43.7 13.5 45.3 882 151 B E H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.1 3,-0.5 0.744 115.9 63.4 -58.3 -29.7 43.0 16.3 42.8 883 152 B T H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.955 92.4 56.8 -66.1 -54.1 43.6 19.3 45.1 884 153 B V H 4 S+ 0 0 3 -735,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.769 115.4 43.1 -50.6 -24.3 47.3 18.8 46.0 885 154 B F H >< S+ 0 0 1 -4,-0.6 3,-1.8 -3,-0.5 -22,-0.5 0.865 109.8 54.6 -86.8 -43.3 47.9 19.0 42.2 886 155 B R H 3< S+ 0 0 84 -4,-2.1 -2,-0.2 -23,-0.3 -3,-0.2 0.837 109.9 47.4 -57.0 -40.0 45.5 21.9 41.5 887 156 B A T 3< S+ 0 0 0 -4,-2.5 2,-1.1 -5,-0.1 -1,-0.3 0.086 82.0 109.4 -90.8 18.4 47.2 24.0 44.1 888 157 B D < + 0 0 6 -3,-1.8 -25,-0.3 -5,-0.2 2,-0.2 -0.800 53.5 156.3 -97.4 94.2 50.6 23.1 42.7 889 158 B L - 0 0 2 -2,-1.1 241,-0.4 -27,-0.1 2,-0.2 -0.669 27.9-154.7-118.8 170.4 51.5 26.5 41.2 890 159 B C > - 0 0 4 -32,-0.3 3,-2.2 -2,-0.2 237,-0.1 -0.652 46.0 -63.0-132.9-173.3 54.4 28.7 40.1 891 160 B N T 3 S+ 0 0 83 1,-0.3 5,-0.1 235,-0.2 6,-0.1 0.656 117.7 67.6 -43.0 -34.8 55.6 32.2 39.4 892 161 B A T 3 S+ 0 0 12 1,-0.2 2,-0.8 -34,-0.2 -1,-0.3 0.455 84.2 79.5 -71.6 0.1 53.2 33.0 36.6 893 162 B D X + 0 0 0 -3,-2.2 3,-1.4 1,-0.2 -1,-0.2 -0.680 62.4 168.9-107.2 69.3 50.5 32.8 39.3 894 163 B V G > + 0 0 90 -2,-0.8 3,-2.0 1,-0.3 -1,-0.2 0.637 57.9 77.8 -59.2 -24.6 51.2 36.4 40.5 895 164 B A G 3 S+ 0 0 42 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.702 93.4 53.1 -63.9 -18.7 48.1 36.7 42.7 896 165 B L G < S- 0 0 0 -3,-1.4 10,-0.6 1,-0.3 -1,-0.3 0.285 113.8-130.7 -96.6 9.0 49.9 34.6 45.4 897 166 B G < - 0 0 14 -3,-2.0 2,-0.5 8,-0.2 -1,-0.3 -0.352 29.7 -51.9 83.9-164.7 52.9 36.9 45.2 898 167 B D B > -F 903 0O 54 5,-2.0 5,-2.2 1,-0.1 4,-0.3 -0.959 40.5-172.7-122.1 107.0 56.6 36.5 44.8 899 168 B L T 5S+ 0 0 4 -2,-0.5 25,-0.2 3,-0.2 -1,-0.1 0.681 81.3 53.1 -72.4 -23.8 58.1 34.0 47.4 900 169 B L T 5S+ 0 0 19 1,-0.1 -1,-0.1 226,-0.1 221,-0.1 0.976 124.1 20.9 -78.9 -64.2 61.7 34.7 46.4 901 170 B I T 5S- 0 0 50 2,-0.0 -2,-0.2 220,-0.0 -1,-0.1 0.306 115.3-119.7 -88.2 9.2 61.9 38.5 46.7 902 171 B H T 5 + 0 0 15 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.970 50.9 153.9 57.4 86.5 58.9 38.4 48.9 903 172 B E B > < -F 898 0O 107 -5,-2.2 -5,-2.0 -7,-0.1 3,-1.0 -0.982 48.3 -7.6-141.9 149.1 55.8 40.3 47.7 904 173 B G T 3> S- 0 0 48 -2,-0.3 4,-2.4 1,-0.2 -7,-0.1 -0.509 128.2 -7.5 73.8-135.7 52.1 40.1 48.2 905 174 B P H 3> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.818 132.6 62.3 -64.8 -33.8 50.7 37.0 50.1 906 175 B A H <> S+ 0 0 0 -3,-1.0 4,-1.2 -10,-0.6 -2,-0.2 0.969 114.8 30.7 -58.4 -55.4 54.2 35.4 50.1 907 176 B V H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 112.5 65.8 -73.1 -33.3 55.8 38.1 52.2 908 177 B A H X S+ 0 0 36 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.900 106.5 43.3 -49.6 -45.9 52.5 38.8 53.9 909 178 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.779 108.8 56.2 -70.7 -37.2 52.7 35.4 55.5 910 179 B E H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.872 106.8 50.8 -65.1 -33.6 56.4 35.6 56.3 911 180 B K H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.803 106.7 53.8 -73.5 -29.5 55.7 38.8 58.3 912 181 B H H X S+ 0 0 32 -4,-1.0 4,-2.6 -5,-0.2 -1,-0.2 0.828 105.5 54.5 -70.7 -35.3 52.9 37.1 60.3 913 182 B A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.941 107.8 51.0 -61.7 -41.0 55.4 34.4 61.2 914 183 B A H X>S+ 0 0 6 -4,-1.5 5,-1.5 2,-0.2 4,-1.3 0.928 109.5 47.9 -62.0 -48.0 57.6 37.2 62.5 915 184 B R H ><5S+ 0 0 185 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.925 114.5 47.4 -60.8 -42.8 54.8 38.7 64.6 916 185 B V H 3<5S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 119.4 38.7 -68.1 -35.5 54.0 35.2 66.0 917 186 B Y H 3<5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.447 103.6-122.2 -98.2 0.7 57.7 34.4 66.7 918 187 B N T <<5 + 0 0 62 -4,-1.3 -3,-0.2 -3,-0.5 2,-0.2 0.792 66.6 132.4 65.9 34.5 58.9 37.8 68.0 919 188 B A < - 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0 0 2 -4,-0.7 2,-0.2 -5,-0.2 26,-0.1 -0.170 59.3-165.4 -54.5 123.0 80.8 33.6 57.5 942 211 B S > - 0 0 1 1,-0.1 3,-1.8 -306,-0.1 72,-0.1 -0.680 43.2 -70.0-101.5 159.8 83.5 34.8 55.1 943 212 B N T 3 S+ 0 0 56 1,-0.3 24,-0.2 -2,-0.2 23,-0.2 -0.183 121.3 12.2 -55.1 132.8 86.5 32.6 54.2 944 213 B G T 3 S+ 0 0 20 22,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.695 93.4 145.5 73.5 18.5 89.0 32.2 57.0 945 214 B D < - 0 0 9 -3,-1.8 23,-2.5 21,-0.3 2,-0.9 -0.622 56.0-105.4 -88.6 150.8 86.5 33.6 59.6 946 215 B L E -h 968 0P 1 66,-0.4 68,-0.9 -2,-0.2 69,-0.8 -0.632 33.0-168.5 -84.0 105.0 86.4 32.2 63.1 947 216 B V E -hi 9691015P 0 21,-1.5 23,-1.0 -2,-0.9 2,-0.8 -0.780 17.6-141.5 -94.3 109.5 83.3 29.9 63.8 948 217 B L E -hi 9701016P 1 67,-2.3 69,-2.5 -2,-0.7 2,-0.6 -0.565 32.2-148.3 -68.6 109.1 82.7 29.0 67.6 949 218 B F E -hi 9711017P 0 21,-2.2 23,-1.3 -2,-0.8 2,-0.5 -0.716 19.1-149.1 -96.5 116.3 81.6 25.4 67.1 950 219 B D E > -h 972 0P 0 67,-1.7 3,-1.8 -2,-0.6 23,-0.1 -0.637 21.3-142.8 -73.0 124.6 79.2 23.4 69.2 951 220 B R T 3 S+ 0 0 0 21,-1.2 -1,-0.2 -2,-0.5 23,-0.1 0.584 96.0 63.6 -68.0 -9.5 80.7 19.9 68.9 952 221 B N T 3 S+ 0 0 1 20,-0.1 -1,-0.3 21,-0.1 -2,-0.1 0.485 77.7 139.7 -90.2 -5.2 77.1 18.3 68.8 953 222 B N < - 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