==== 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 07-DEC-07 3BKV . COMPND 2 MOLECULE: LYTIC TRANSGLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PHIKZ; . AUTHOR A.FOKINE,K.A.MIROSHNIKOV,M.M.SHNEIDER,V.V.MESYANZHINOV,M.G.R . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.3 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 . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 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 . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 1 2 0 0 2 1 2 2 0 1 0 0 0 0 0 0 1 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 . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -7 A H > 0 0 182 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-148.8 14.7 -4.4 -4.0 2 -6 A H H > + 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.562 360.0 68.8 -84.8 -14.2 17.5 -2.3 -2.5 3 -5 A H H > S+ 0 0 71 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.827 93.1 51.5 -72.5 -35.0 19.3 -4.0 -5.4 4 -4 A H H > S+ 0 0 126 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.912 113.1 45.9 -70.1 -38.9 17.4 -2.0 -8.0 5 -3 A H H >X S+ 0 0 18 -4,-0.8 3,-1.3 1,-0.2 4,-0.5 0.936 113.1 48.0 -66.6 -46.0 18.4 1.2 -6.2 6 -2 A G H 3< S+ 0 0 1 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.781 105.0 65.6 -63.2 -23.0 22.0 0.0 -5.9 7 -1 A S H 3< S+ 0 0 65 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.757 104.3 41.0 -67.7 -30.1 21.6 -0.8 -9.5 8 0 A I H << S+ 0 0 111 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.348 92.3 105.8-101.3 -1.7 21.2 2.8 -10.5 9 1 A X S < S- 0 0 27 -4,-0.5 2,-0.2 -3,-0.5 58,-0.1 -0.462 86.4 -93.9 -73.6 156.8 23.8 4.1 -8.2 10 2 A K - 0 0 91 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.534 37.8-119.0 -72.3 136.1 27.1 5.2 -9.8 11 3 A V - 0 0 68 -2,-0.2 55,-0.2 -4,-0.1 2,-0.2 -0.689 41.1-161.4 -78.8 110.8 29.6 2.4 -9.8 12 4 A L B +A 65 0A 0 53,-1.7 53,-2.1 -2,-0.8 2,-0.3 -0.565 19.6 166.7 -99.0 161.2 32.5 3.8 -7.7 13 5 A R > - 0 0 120 51,-0.2 3,-2.2 -2,-0.2 29,-0.2 -0.966 49.6 -59.9-161.0 160.8 36.2 2.9 -7.3 14 6 A K T 3 S+ 0 0 111 -2,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.112 119.6 34.4 -47.0 140.6 39.3 4.5 -5.8 15 7 A G T 3 S+ 0 0 55 27,-3.0 -1,-0.3 1,-0.4 28,-0.1 0.065 89.5 118.6 99.2 -25.7 40.2 7.8 -7.5 16 8 A D < - 0 0 43 -3,-2.2 26,-2.6 26,-0.2 -1,-0.4 -0.277 41.0-171.7 -72.6 162.3 36.6 8.9 -8.0 17 9 A R B +B 41 0B 173 24,-0.2 2,-0.3 -3,-0.1 24,-0.2 -0.993 28.3 68.4-155.7 149.7 35.2 12.0 -6.4 18 10 A G S > S- 0 0 31 22,-2.1 4,-1.9 -2,-0.3 5,-0.1 -0.915 91.9 -36.4 140.1-165.4 31.9 13.8 -6.0 19 11 A D H > S+ 0 0 95 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.838 129.1 57.2 -61.9 -36.5 28.5 13.6 -4.3 20 12 A E H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.913 105.8 47.5 -62.6 -46.3 28.4 9.8 -4.7 21 13 A V H > S+ 0 0 0 19,-0.3 4,-3.4 1,-0.2 -1,-0.2 0.917 112.6 52.1 -61.7 -41.2 31.7 9.2 -2.9 22 14 A C H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 110.6 45.4 -60.0 -46.1 30.4 11.5 -0.2 23 15 A Q H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.934 113.5 51.6 -63.6 -44.2 27.2 9.5 0.1 24 16 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.956 110.0 49.1 -54.4 -52.8 29.3 6.3 0.0 25 17 A Q H X S+ 0 0 3 -4,-3.4 4,-2.3 1,-0.2 10,-0.3 0.870 111.8 48.7 -56.2 -41.6 31.5 7.7 2.8 26 18 A T H X S+ 0 0 27 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.942 110.6 48.8 -66.4 -49.0 28.6 8.6 5.0 27 19 A L H X S+ 0 0 4 -4,-2.7 4,-0.6 2,-0.2 6,-0.2 0.891 109.0 55.4 -58.4 -39.6 26.8 5.3 4.6 28 20 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.1 -5,-0.3 3,-1.8 0.982 110.9 43.9 -56.3 -55.6 30.1 3.6 5.5 29 21 A N H ><5S+ 0 0 43 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.909 111.2 53.0 -54.3 -47.8 30.2 5.6 8.7 30 22 A L H 3<5S+ 0 0 37 -4,-3.0 48,-2.1 1,-0.3 -1,-0.3 0.526 108.8 53.4 -66.8 -6.4 26.6 5.0 9.5 31 23 A C T <<5S- 0 0 25 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.424 126.6 -98.0-106.0 -5.8 27.3 1.3 9.0 32 24 A G T < 5S+ 0 0 64 -3,-1.9 2,-1.0 -4,-0.5 -3,-0.2 0.303 91.8 113.1 106.7 -9.1 30.2 1.2 11.5 33 25 A Y < - 0 0 33 -5,-2.1 2,-0.3 -6,-0.2 -2,-0.2 -0.824 58.6-149.0-100.5 99.6 33.1 1.5 9.1 34 26 A D + 0 0 112 -2,-1.0 3,-0.1 1,-0.1 -8,-0.1 -0.504 29.3 167.5 -73.1 130.2 34.6 4.9 9.8 35 27 A V - 0 0 11 1,-0.6 11,-0.1 -2,-0.3 -1,-0.1 -0.024 53.8-112.5-125.8 23.4 36.3 6.6 6.9 36 28 A G S S- 0 0 31 9,-0.1 -1,-0.6 2,-0.1 -7,-0.1 -0.303 71.3 -12.7 74.8-163.0 36.6 9.9 8.7 37 29 A K S S- 0 0 184 1,-0.1 2,-0.4 -3,-0.1 -11,-0.0 -0.526 82.3-105.2 -73.0 135.8 34.5 13.0 7.7 38 30 A P + 0 0 41 0, 0.0 -16,-0.1 0, 0.0 -1,-0.1 -0.474 49.6 163.3 -63.3 113.8 32.9 12.5 4.2 39 31 A D - 0 0 92 -2,-0.4 -17,-0.1 2,-0.2 3,-0.1 0.442 52.1-114.2-113.7 -3.7 35.0 14.7 1.8 40 32 A G S S+ 0 0 8 1,-0.2 -22,-2.1 -19,-0.2 2,-0.6 0.573 79.6 115.5 83.4 6.5 33.9 13.3 -1.5 41 33 A I B -B 17 0B 65 -24,-0.2 2,-1.8 -20,-0.2 -24,-0.2 -0.943 60.6-143.1-116.4 113.3 37.3 11.8 -2.5 42 34 A F + 0 0 4 -26,-2.6 -27,-3.0 -2,-0.6 -26,-0.2 -0.534 46.1 150.3 -72.2 85.1 37.5 8.0 -2.8 43 35 A G > - 0 0 27 -2,-1.8 4,-1.8 -29,-0.2 -27,-0.1 0.046 60.5 -67.2 -98.8-150.6 40.9 7.5 -1.4 44 36 A N H > S+ 0 0 90 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.881 126.2 52.2 -70.7 -45.1 42.8 4.8 0.6 45 37 A N H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 114.4 43.2 -59.9 -45.2 40.8 4.9 3.8 46 38 A T H > S+ 0 0 4 -5,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 113.4 53.7 -67.8 -40.7 37.5 4.6 1.9 47 39 A F H X S+ 0 0 63 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.942 111.0 44.6 -58.8 -50.2 39.0 1.9 -0.3 48 40 A N H X S+ 0 0 88 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.919 113.2 50.2 -61.3 -44.9 40.1 -0.2 2.7 49 41 A Q H X S+ 0 0 40 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.886 110.9 51.0 -62.2 -37.4 36.8 0.3 4.6 50 42 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.961 110.6 47.5 -64.0 -50.8 35.0 -0.8 1.4 51 43 A V H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.942 114.8 45.9 -54.6 -51.5 37.0 -3.9 0.9 52 44 A K H X S+ 0 0 101 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.878 112.2 51.5 -59.2 -41.6 36.6 -4.9 4.6 53 45 A F H X S+ 0 0 1 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.886 110.9 48.5 -64.3 -38.3 32.9 -4.1 4.4 54 46 A Q H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 3,-0.3 0.866 113.1 47.9 -68.8 -38.0 32.6 -6.3 1.3 55 47 A K H ><5S+ 0 0 132 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.923 107.3 54.4 -71.3 -42.9 34.5 -9.1 3.0 56 48 A D H 3<5S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.694 116.6 40.3 -65.3 -13.2 32.4 -8.9 6.2 57 49 A N T 3<5S- 0 0 36 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.246 111.7-109.5-120.9 14.7 29.3 -9.3 4.0 58 50 A C T < 5 + 0 0 127 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.939 69.0 143.1 59.3 48.3 30.3 -12.0 1.4 59 51 A L S - 0 0 17 -2,-0.8 4,-2.9 -55,-0.2 5,-0.3 -0.359 64.1 -53.8-119.6-160.5 28.4 -1.6 -7.4 67 59 A K H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 131.8 45.7 -45.5 -56.4 24.8 -2.7 -7.2 68 60 A N H > S+ 0 0 75 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.835 114.6 46.0 -62.3 -35.9 25.4 -5.3 -4.5 69 61 A T H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.936 113.6 47.8 -74.7 -45.3 27.5 -3.2 -2.3 70 62 A W H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.947 111.5 53.2 -56.2 -47.6 25.2 -0.2 -2.5 71 63 A A H X S+ 0 0 4 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.868 108.5 49.6 -55.0 -40.1 22.4 -2.6 -1.7 72 64 A E H X S+ 0 0 39 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.842 110.0 50.6 -70.1 -34.4 24.3 -3.8 1.3 73 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.2 -2,-0.2 0.913 107.8 51.3 -69.9 -41.8 24.9 -0.3 2.6 74 66 A F H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.723 114.8 47.2 -66.6 -19.2 21.2 0.7 2.2 75 67 A S H < S+ 0 0 75 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.777 118.0 35.7 -93.0 -30.7 20.4 -2.4 4.2 76 68 A K H < S+ 0 0 115 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.635 88.0 103.5-100.1 -17.8 22.9 -2.1 7.1 77 69 A Y < - 0 0 21 -4,-2.1 -46,-0.2 -5,-0.2 -50,-0.1 -0.309 59.5-143.7 -68.1 149.8 23.2 1.7 7.8 78 70 A S - 0 0 78 -48,-2.1 -46,-0.1 -51,-0.2 -1,-0.1 -0.960 19.9-120.8-118.4 117.1 21.4 3.0 10.9 79 71 A P - 0 0 44 0, 0.0 79,-0.2 0, 0.0 80,-0.1 -0.301 10.3-150.8 -55.9 126.6 19.8 6.5 10.6 80 72 A P S S+ 0 0 69 0, 0.0 79,-0.1 0, 0.0 78,-0.1 0.712 96.0 23.9 -71.7 -20.6 21.3 8.9 13.1 81 73 A I S S- 0 0 55 77,-1.2 2,-0.1 76,-0.3 27,-0.0 -0.629 83.1-156.6-144.0 78.4 17.9 10.8 13.1 82 74 A P > - 0 0 57 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.370 21.0-128.4 -60.5 133.9 15.0 8.5 12.0 83 75 A Y G > S+ 0 0 61 76,-2.3 3,-3.1 1,-0.3 77,-0.1 0.761 101.4 75.9 -54.9 -30.5 12.2 10.7 10.6 84 76 A K G 3 S+ 0 0 127 1,-0.3 -1,-0.3 75,-0.2 4,-0.1 0.731 82.0 71.5 -55.7 -18.6 9.6 9.0 12.8 85 77 A T G < S+ 0 0 82 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.797 86.3 76.1 -66.8 -25.2 11.1 11.1 15.6 86 78 A I S < S- 0 0 4 -3,-3.1 88,-0.1 -4,-0.3 15,-0.1 -0.773 90.6-129.2 -87.8 120.7 9.4 14.0 13.7 87 79 A P - 0 0 59 0, 0.0 17,-0.1 0, 0.0 -2,-0.1 -0.378 14.1-118.2 -71.8 148.2 5.7 13.9 14.5 88 80 A X - 0 0 79 -4,-0.1 2,-0.2 1,-0.1 84,-0.0 -0.519 39.2-102.9 -77.8 150.8 3.0 14.1 11.8 89 81 A P - 0 0 8 0, 0.0 9,-0.1 0, 0.0 8,-0.1 -0.561 20.8-127.3 -78.1 144.8 0.7 17.1 12.1 90 82 A T S S+ 0 0 138 7,-0.4 2,-0.3 -2,-0.2 8,-0.1 0.346 91.6 18.3 -72.2 11.3 -2.7 16.4 13.6 91 83 A A S S- 0 0 42 6,-0.1 3,-0.5 3,-0.1 2,-0.1 -0.879 73.6-123.9-177.6 143.0 -4.2 18.1 10.5 92 84 A N S S+ 0 0 37 -2,-0.3 35,-0.2 1,-0.2 3,-0.1 -0.478 94.6 28.1 -87.9 162.8 -3.4 19.2 6.9 93 85 A K S S+ 0 0 143 33,-2.4 2,-0.4 -2,-0.1 -1,-0.2 0.841 95.5 122.2 55.4 36.1 -3.8 22.8 5.8 94 86 A S > - 0 0 34 32,-0.7 4,-1.3 -3,-0.5 3,-0.4 -0.919 48.5-167.9-138.0 113.7 -3.2 24.0 9.4 95 87 A R H >> S+ 0 0 75 -2,-0.4 4,-1.4 1,-0.2 3,-0.5 0.910 97.7 51.1 -59.1 -45.4 -0.4 26.4 10.6 96 88 A A H 34 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.758 109.9 51.6 -64.7 -24.7 -1.1 25.5 14.2 97 89 A A H 34 S+ 0 0 5 -3,-0.4 -7,-0.4 1,-0.2 4,-0.4 0.723 109.4 48.8 -84.0 -24.2 -0.9 21.8 13.3 98 90 A A H S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.871 114.4 51.8 -49.5 -35.7 5.0 21.2 16.6 101 93 A V H > S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.943 110.7 45.4 -65.3 -47.0 6.3 19.5 13.5 102 94 A X H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.791 108.6 57.8 -67.2 -28.7 8.5 22.5 12.6 103 95 A N H X S+ 0 0 71 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.864 107.5 47.2 -68.7 -36.6 9.7 22.7 16.2 104 96 A A H X S+ 0 0 23 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.906 111.7 49.8 -70.9 -42.7 11.0 19.1 16.0 105 97 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.827 108.5 54.2 -66.7 -31.2 12.7 19.8 12.7 106 98 A E H X S+ 0 0 56 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.979 109.4 46.2 -66.6 -51.8 14.3 22.9 14.1 107 99 A N H < S+ 0 0 150 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 118.9 43.9 -56.3 -35.4 15.8 20.9 17.0 108 100 A A H < S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.829 130.7 19.7 -80.7 -32.0 16.9 18.2 14.5 109 101 A T H < S- 0 0 8 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.668 94.1-122.1-111.1 -23.7 18.3 20.5 11.8 110 102 A G < + 0 0 43 -4,-3.7 2,-0.2 -5,-0.4 -4,-0.1 -0.031 68.2 129.3 103.7 -29.6 19.0 23.9 13.5 111 103 A V - 0 0 3 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.403 66.5-107.7 -65.2 129.4 16.7 25.8 11.1 112 104 A R >> - 0 0 140 -2,-0.2 4,-1.7 1,-0.1 3,-0.7 -0.321 16.9-133.5 -62.8 131.7 14.2 28.1 13.0 113 105 A S H 3> S+ 0 0 12 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.842 103.1 61.9 -54.3 -39.1 10.6 26.9 12.9 114 106 A Q H 3> S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 105.2 47.7 -54.1 -45.2 9.3 30.4 12.0 115 107 A L H <> S+ 0 0 29 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.923 114.3 47.0 -63.1 -42.9 11.3 30.3 8.8 116 108 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.925 111.2 51.0 -63.8 -45.5 9.9 26.8 8.1 117 109 A L H X S+ 0 0 15 -4,-3.9 4,-1.8 1,-0.2 -1,-0.2 0.863 109.4 51.7 -60.2 -37.9 6.4 27.9 8.9 118 110 A T H X S+ 0 0 5 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.964 110.4 46.8 -64.3 -53.5 6.7 30.8 6.5 119 111 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.924 112.5 48.6 -53.2 -53.2 7.8 28.7 3.6 120 112 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 6,-1.6 0.882 113.1 50.7 -56.8 -39.4 5.2 26.0 4.1 121 113 A S H X S+ 0 0 13 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.950 114.2 41.0 -64.6 -50.1 2.6 28.8 4.3 122 114 A I H < S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.670 121.0 44.0 -73.5 -18.4 3.8 30.6 1.1 123 115 A E H < S- 0 0 33 -4,-2.0 -2,-0.2 17,-0.3 -1,-0.2 0.762 137.7 -2.6 -99.4 -28.1 4.2 27.3 -0.8 124 116 A S H >< S- 0 0 8 -4,-2.1 3,-3.0 -5,-0.3 -3,-0.2 0.225 83.4-116.0-149.0 13.1 1.2 25.3 0.0 125 117 A A T 3< S- 0 0 69 -4,-1.7 -4,-0.2 -5,-0.3 -3,-0.1 0.903 84.9 -57.6 44.8 37.1 -0.9 27.2 2.5 126 118 A F T 3 S+ 0 0 10 -6,-1.6 -33,-2.4 14,-0.2 2,-1.1 0.596 102.2 135.9 69.9 15.6 0.1 24.2 4.7 127 119 A D X - 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0 0 110 -2,-0.3 -2,-0.1 1,-0.1 -10,-0.0 -0.580 61.8-105.5 -68.5 123.1 22.5 36.6 7.9 199 191 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.287 41.6-138.5 -52.0 134.1 20.4 35.6 4.9 200 192 A T > - 0 0 46 1,-0.1 4,-3.3 -3,-0.0 5,-0.3 -0.326 25.7 -96.2 -88.8 175.3 16.8 36.6 5.7 201 193 A D H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.889 128.6 45.9 -60.4 -35.8 13.6 34.6 5.1 202 194 A T H > S+ 0 0 0 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.914 111.4 50.1 -74.0 -41.8 13.2 36.6 1.8 203 195 A D H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.981 116.4 44.3 -56.2 -53.0 16.8 36.1 0.8 204 196 A L H X S+ 0 0 5 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.870 110.8 52.7 -59.0 -41.1 16.3 32.4 1.5 205 197 A Y H X S+ 0 0 13 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.912 104.1 57.2 -64.3 -39.2 13.0 32.3 -0.2 206 198 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.916 108.4 46.6 -56.5 -41.8 14.5 33.8 -3.3 207 199 A A H X S+ 0 0 2 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.867 112.1 51.7 -67.0 -35.7 17.0 30.9 -3.4 208 200 A H H < S+ 0 0 30 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.904 119.5 34.0 -66.2 -44.6 14.2 28.4 -2.9 209 201 A F H < S+ 0 0 81 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.919 133.0 25.1 -79.4 -46.9 12.1 29.8 -5.7 210 202 A F H < S- 0 0 37 -4,-2.9 4,-0.3 -5,-0.3 -3,-0.2 0.509 113.8-103.4 -97.4 -8.5 14.7 30.9 -8.3 211 203 A G X - 0 0 25 -4,-1.3 4,-2.0 -5,-0.4 -1,-0.2 -0.002 34.1 -89.9 96.4 152.2 17.5 28.6 -7.2 212 204 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.899 120.2 57.9 -67.0 -41.0 20.6 29.7 -5.2 213 205 A G H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.926 113.5 38.5 -54.0 -49.7 22.8 30.6 -8.2 214 206 A A H > S+ 0 0 7 -4,-0.3 4,-3.8 2,-0.2 5,-0.2 0.918 114.2 53.4 -68.3 -45.9 20.3 33.2 -9.5 215 207 A A H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.898 109.6 52.4 -56.7 -37.5 19.3 34.4 -6.1 216 208 A R H < S+ 0 0 95 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.977 112.2 41.8 -61.5 -57.5 23.0 35.0 -5.5 217 209 A R H >< S+ 0 0 137 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.932 119.6 48.0 -54.8 -46.8 23.5 37.0 -8.7 218 210 A F H >< S+ 0 0 16 -4,-3.8 3,-1.7 1,-0.2 -2,-0.2 0.898 102.9 56.1 -63.9 -48.3 20.2 38.8 -8.0 219 211 A L T 3< S+ 0 0 31 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.523 118.3 40.7 -65.0 0.4 20.7 39.7 -4.3 220 212 A T T < S+ 0 0 87 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.054 88.2 100.8-138.7 36.4 23.8 41.4 -5.5 221 213 A T S < S- 0 0 30 -3,-1.7 4,-0.2 4,-0.1 31,-0.1 -0.240 89.0 -77.4-125.2 52.6 22.8 43.1 -8.8 222 214 A G > - 0 0 30 2,-0.1 3,-2.3 -3,-0.1 30,-0.4 0.920 34.6-123.9 60.9 105.2 22.2 46.8 -8.5 223 215 A Q T 3 S+ 0 0 113 1,-0.3 30,-3.2 29,-0.2 29,-0.6 0.847 109.2 40.3 -39.7 -57.7 18.9 48.1 -7.0 224 216 A N T 3 S+ 0 0 133 28,-0.2 -1,-0.3 27,-0.2 -2,-0.1 0.365 90.9 117.4 -81.5 5.7 17.8 50.3 -10.0 225 217 A E S < S- 0 0 93 -3,-2.3 27,-2.1 -4,-0.2 2,-1.1 -0.326 77.3-105.5 -71.5 157.3 19.0 47.7 -12.6 226 218 A L B >> -E 251 0D 74 25,-0.2 3,-1.6 1,-0.2 4,-1.0 -0.747 28.8-159.3 -89.1 99.6 16.4 46.1 -14.9 227 219 A A H >> S+ 0 0 0 -2,-1.1 4,-1.8 23,-0.7 3,-1.0 0.849 87.4 60.0 -42.9 -52.5 16.0 42.6 -13.6 228 220 A A H 34 S+ 0 0 12 22,-0.6 -1,-0.3 14,-0.3 7,-0.2 0.846 101.3 57.2 -49.5 -36.1 14.6 41.2 -16.8 229 221 A T H <4 S+ 0 0 95 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.904 115.9 34.7 -62.9 -40.2 17.8 42.2 -18.4 230 222 A H H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.528 128.5 35.0 -93.1 -8.0 19.8 40.1 -15.9 231 223 A F X + 0 0 8 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 -0.319 62.1 154.9-143.9 56.1 17.3 37.2 -15.5 232 224 A P H > S+ 0 0 67 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.882 76.8 53.7 -48.9 -46.9 15.6 36.7 -18.9 233 225 A K H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.963 114.2 38.4 -55.0 -59.9 14.8 33.1 -18.0 234 226 A E H > S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 115.3 55.1 -60.7 -41.0 13.0 33.8 -14.8 235 227 A A H < S+ 0 0 0 -4,-3.0 7,-0.3 2,-0.2 -1,-0.2 0.920 110.5 44.8 -58.8 -46.2 11.4 36.9 -16.3 236 228 A Q H < S+ 0 0 154 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.938 116.9 46.5 -63.9 -44.8 9.9 34.9 -19.1 237 229 A A H < S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.784 129.7 22.4 -68.1 -31.2 8.9 32.2 -16.6 238 230 A N >X + 0 0 45 -4,-2.8 3,-1.8 -5,-0.2 4,-1.4 -0.403 68.5 156.4-136.8 61.1 7.3 34.7 -14.1 239 231 A P H 3> + 0 0 59 0, 0.0 4,-3.4 0, 0.0 -1,-0.1 0.807 68.7 71.0 -54.3 -35.6 6.5 37.9 -16.1 240 232 A S H 34 S+ 0 0 99 1,-0.2 -5,-0.1 2,-0.2 -2,-0.0 0.807 109.3 32.5 -55.4 -29.9 3.9 38.8 -13.6 241 233 A I H <4 S+ 0 0 16 -3,-1.8 -1,-0.2 -6,-0.1 17,-0.1 0.707 125.3 42.8-101.3 -19.1 6.7 39.6 -11.1 242 234 A F H < S+ 0 0 4 -4,-1.4 8,-2.4 -7,-0.3 2,-0.4 0.623 111.3 57.0 -97.6 -16.4 9.3 40.8 -13.5 243 235 A Y B < S-F 249 0E 78 -4,-3.4 -1,-0.1 6,-0.2 5,-0.1 -0.946 76.7-126.4-123.4 140.4 7.1 42.9 -15.7 244 236 A N > - 0 0 45 4,-3.6 3,-1.4 -2,-0.4 -2,-0.1 -0.157 41.2 -96.1 -69.0 170.3 4.8 45.9 -15.0 245 237 A K T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.920 127.8 50.1 -56.4 -43.4 1.2 45.8 -16.1 246 238 A D T 3 S- 0 0 132 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.591 124.6-103.8 -72.8 -7.9 2.0 47.7 -19.2 247 239 A G S < S+ 0 0 45 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.462 75.0 138.8 100.3 1.6 4.8 45.3 -20.0 248 240 A S - 0 0 40 1,-0.1 -4,-3.6 -5,-0.1 -1,-0.3 -0.504 60.6-103.4 -77.3 150.7 7.8 47.5 -19.0 249 241 A P B -F 243 0E 50 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.575 32.4-132.5 -77.9 136.9 10.5 45.7 -17.1 250 242 A K - 0 0 33 -8,-2.4 -23,-0.7 -2,-0.3 -22,-0.6 -0.357 23.4-110.6 -80.0 165.7 10.6 46.2 -13.3 251 243 A T B > -E 226 0D 31 -25,-0.2 4,-2.1 -24,-0.1 -25,-0.2 -0.392 27.6-104.6 -90.5 174.8 13.9 47.1 -11.5 252 244 A I H > S+ 0 0 9 -27,-2.1 4,-2.8 -29,-0.6 -28,-0.2 0.940 120.9 52.9 -63.2 -48.9 15.8 44.9 -9.1 253 245 A Q H > S+ 0 0 71 -30,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.895 109.2 48.5 -54.4 -45.8 14.6 46.9 -6.1 254 246 A E H > S+ 0 0 81 -31,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.939 112.1 48.0 -61.8 -48.9 10.9 46.6 -7.2 255 247 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 112.2 50.7 -58.5 -44.2 11.1 42.8 -7.7 256 248 A Y H X S+ 0 0 49 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.976 111.5 46.5 -57.9 -56.1 12.9 42.4 -4.3 257 249 A N H X S+ 0 0 89 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.810 110.9 52.9 -57.0 -34.2 10.2 44.4 -2.5 258 250 A L H X S+ 0 0 72 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.960 113.5 43.3 -66.6 -48.0 7.4 42.5 -4.2 259 251 A X H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 3,-0.4 0.970 112.8 50.3 -59.8 -54.8 9.0 39.2 -3.1 260 252 A D H X S+ 0 0 44 -4,-3.5 4,-2.5 1,-0.3 -1,-0.2 0.838 110.0 55.2 -51.8 -32.2 9.7 40.5 0.4 261 253 A G H X S+ 0 0 39 -4,-1.5 4,-0.8 -5,-0.3 -1,-0.3 0.921 105.6 48.5 -68.1 -44.7 6.1 41.5 0.3 262 254 A K H < S+ 0 0 99 -4,-2.1 3,-0.3 -3,-0.4 -2,-0.2 0.833 115.0 46.2 -64.1 -33.6 4.8 38.0 -0.5 263 255 A V H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.907 103.5 63.5 -73.5 -42.1 7.0 36.6 2.2 264 256 A A H >< S+ 0 0 45 -4,-2.5 3,-0.5 -5,-0.3 -1,-0.2 0.708 95.2 62.3 -54.5 -22.3 5.8 39.3 4.6 265 257 A A T 3< S+ 0 0 79 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.601 105.7 43.0 -83.3 -11.1 2.3 37.9 4.3 266 258 A H T < S+ 0 0 54 -3,-2.3 -1,-0.2 -4,-0.2 -145,-0.2 0.247 89.9 109.8-118.1 13.9 3.1 34.5 5.8 267 259 A R < 0 0 83 -3,-0.5 -152,-0.0 -4,-0.3 -3,-0.0 -0.093 360.0 360.0 -77.9-179.3 5.3 35.5 8.7 268 260 A K 0 0 245 -2,-0.0 -3,-0.0 0, 0.0 -4,-0.0 0.754 360.0 360.0 -21.5 360.0 4.6 35.2 12.4