==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 25-JAN-94 149L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR K.WILSON,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 79.3 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 . 10 6.1 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 . 2 1.2 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 1 1 0 1 2 0 0 1 1 0 0 0 0 0 0 2 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 . 1 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 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 1 A M 0 0 100 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 157.2 29.9 -6.1 38.1 2 2 A N > - 0 0 83 1,-0.1 4,-2.7 156,-0.1 5,-0.2 -0.805 360.0 -99.0-140.1 176.9 32.4 -6.3 35.3 3 3 A L H > S+ 0 0 27 -2,-0.3 4,-3.7 1,-0.2 5,-0.4 0.897 117.0 62.9 -61.1 -37.5 33.6 -8.2 32.4 4 4 A F H > S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.971 108.9 36.5 -54.7 -55.2 36.2 -9.6 34.6 5 5 A E H > S+ 0 0 63 2,-0.2 4,-4.0 3,-0.2 5,-0.3 0.933 114.8 55.8 -66.0 -41.6 33.8 -11.4 36.8 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 5,-0.3 0.978 116.8 36.4 -55.2 -51.7 31.4 -12.2 34.1 7 7 A L H X>S+ 0 0 0 -4,-3.7 4,-2.9 -5,-0.2 5,-1.9 0.895 110.3 63.0 -68.0 -36.7 34.1 -13.9 32.2 8 8 A R H X5S+ 0 0 87 -4,-3.3 4,-0.5 -5,-0.4 -2,-0.2 0.970 113.4 36.8 -53.8 -44.0 35.6 -15.2 35.4 9 9 A I H <5S+ 0 0 56 -4,-4.0 -2,-0.2 -5,-0.2 -1,-0.2 0.871 122.7 39.8 -73.1 -44.0 32.4 -17.1 36.0 10 10 A D H <5S+ 0 0 18 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.891 131.8 22.1 -76.7 -41.3 31.6 -18.2 32.4 11 11 A E H <5S- 0 0 51 -4,-2.9 -3,-0.2 -5,-0.3 19,-0.2 0.832 104.0-134.5 -94.0 -40.1 35.0 -19.0 31.1 12 12 A G << - 0 0 18 -5,-1.9 2,-0.5 -4,-0.5 18,-0.5 0.069 10.9 -98.8 97.5 148.1 36.8 -19.6 34.4 13 13 A L - 0 0 42 -5,-0.2 2,-0.4 16,-0.2 16,-0.2 -0.926 32.5-170.1-106.1 121.1 40.1 -18.6 35.6 14 14 A R - 0 0 92 -2,-0.5 14,-2.2 14,-0.4 4,-0.1 -0.944 12.3-168.5-112.7 129.6 43.1 -21.0 35.4 15 15 A L S S+ 0 0 60 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.559 74.8 48.8 -92.4 -4.6 46.4 -20.2 37.2 16 16 A K B S-A 57 0A 129 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.948 101.2 -84.5-134.4 148.6 48.4 -23.0 35.5 17 17 A I + 0 0 29 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.056 56.1 167.7 -46.9 150.3 48.7 -23.9 31.9 18 18 A Y E -B 26 0B 39 8,-1.6 8,-3.0 -4,-0.1 2,-0.8 -0.962 39.4 -95.6-164.9 161.8 45.9 -26.2 30.6 19 19 A K E -B 25 0B 142 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.758 38.9-137.7 -90.7 109.3 44.4 -27.7 27.4 20 20 A D > - 0 0 31 4,-1.4 3,-1.6 -2,-0.8 -1,-0.0 -0.032 41.6 -80.3 -55.8 167.5 41.4 -25.7 26.2 21 21 A T T 3 S+ 0 0 145 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.838 133.7 38.0 -27.6 -72.5 38.3 -27.6 24.9 22 22 A E T 3 S- 0 0 145 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.542 124.4 -97.2 -61.8 -22.2 39.8 -28.3 21.5 23 23 A G S < S+ 0 0 35 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.263 75.0 126.8 124.5 -21.3 43.4 -28.9 22.8 24 24 A Y - 0 0 48 -5,-0.1 -4,-1.4 1,-0.1 2,-0.6 -0.063 67.1 -90.2 -65.2 178.6 45.7 -25.9 22.6 25 25 A Y E +BC 19 34B 28 9,-2.2 8,-5.0 -6,-0.2 9,-1.1 -0.862 55.6 163.6 -99.6 117.9 47.7 -24.4 25.5 26 26 A T E -BC 18 32B 6 -8,-3.0 -8,-1.6 -2,-0.6 2,-0.3 -0.815 17.4-165.5-129.8 163.1 45.8 -21.7 27.5 27 27 A I E > - C 0 31B 0 4,-1.7 4,-2.2 -2,-0.3 -12,-0.2 -0.997 52.7 -6.6-152.4 154.6 46.0 -20.0 30.8 28 28 A G T 4 S+ 0 0 0 -14,-2.2 2,-1.8 -2,-0.3 -14,-0.4 -0.382 127.8 4.3 64.5-140.0 43.9 -17.8 33.1 29 29 A I T 4 S- 0 0 3 34,-0.3 -16,-0.2 -16,-0.2 -1,-0.1 -0.611 131.6 -59.3 -79.9 84.7 40.6 -16.7 31.5 30 30 A G T 4 S+ 0 0 29 -2,-1.8 2,-0.6 -18,-0.5 -1,-0.2 0.762 81.0 168.1 41.2 45.6 41.0 -18.7 28.4 31 31 A H E < -C 27 0B 28 -4,-2.2 -4,-1.7 1,-0.0 2,-0.5 -0.672 30.6-135.7 -83.9 115.8 44.2 -17.0 27.2 32 32 A L E +C 26 0B 69 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.540 24.8 178.9 -75.2 128.6 45.7 -19.1 24.3 33 33 A L E - 0 0 16 -8,-5.0 2,-0.3 -2,-0.5 -7,-0.2 0.948 60.8 -18.0 -85.5 -66.7 49.3 -19.6 24.7 34 34 A T E -C 25 0B 20 -9,-1.1 -9,-2.2 2,-0.2 -1,-0.4 -0.952 36.1-144.4-138.0 161.1 50.2 -21.6 21.7 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.1 -11,-0.2 -2,-0.0 0.828 75.6 105.5 -87.3 -36.5 48.7 -23.7 19.2 36 36 A S S S- 0 0 46 1,-0.2 -11,-0.2 -3,-0.1 -2,-0.2 0.097 77.0-128.6 -42.4 143.2 51.8 -25.9 19.2 37 37 A P S S+ 0 0 128 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.122 76.7 106.2 -89.7 30.1 51.6 -29.3 21.0 38 38 A S > - 0 0 51 1,-0.2 4,-2.0 -13,-0.0 5,-0.1 -0.915 55.4-160.9-112.2 125.7 54.6 -28.5 23.0 39 39 A L H > S+ 0 0 60 -2,-0.5 4,-3.1 1,-0.2 -1,-0.2 0.902 96.6 57.0 -63.6 -39.7 54.4 -27.7 26.8 40 40 A N H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 106.0 49.9 -55.0 -44.6 57.8 -26.2 26.6 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 109.5 51.6 -61.6 -45.9 56.6 -23.8 23.9 42 42 A A H >X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 3,-0.7 0.961 109.3 50.7 -52.5 -56.2 53.6 -22.8 26.0 43 43 A K H 3X S+ 0 0 53 -4,-3.1 4,-3.3 1,-0.3 11,-0.3 0.892 109.7 49.6 -45.4 -53.8 55.8 -22.1 28.9 44 44 A S H 3X S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.750 111.5 48.7 -60.8 -34.1 58.1 -19.9 26.8 45 45 A E H S+ 0 0 32 -4,-3.3 4,-3.2 1,-0.3 5,-0.9 0.884 112.2 46.4 -46.6 -45.6 57.1 -16.3 30.1 48 48 A K H <5S+ 0 0 164 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.945 116.2 45.6 -62.8 -48.1 57.2 -13.8 27.2 49 49 A A H <5S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 121.5 36.3 -58.4 -50.4 53.6 -12.8 27.9 50 50 A I H <5S- 0 0 25 -4,-4.8 -2,-0.2 2,-0.2 -3,-0.2 0.874 100.2-130.7 -75.3 -38.4 54.1 -12.5 31.6 51 51 A G T <5S+ 0 0 65 -4,-3.2 2,-0.3 -5,-0.4 -3,-0.2 0.742 76.6 71.2 91.2 28.1 57.7 -11.1 31.6 52 52 A R S - 0 0 9 -2,-0.8 3,-1.0 -11,-0.3 -1,-0.2 0.607 31.4-143.8 -97.5 -24.5 56.7 -18.5 35.4 55 55 A N T 3 S- 0 0 119 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.799 73.9 -52.0 63.0 26.9 57.2 -22.2 35.1 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.2 1,-0.2 2,-0.4 0.636 118.7 98.3 86.6 14.0 53.6 -22.6 34.0 57 57 A V B < +A 16 0A 59 -3,-1.0 2,-0.2 -41,-0.2 -41,-0.2 -0.967 44.0 178.5-145.0 129.9 52.0 -20.7 36.8 58 58 A I - 0 0 6 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.747 27.3-114.2-120.8 164.1 50.7 -17.2 37.3 59 59 A T > - 0 0 62 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.506 34.5-108.7 -89.8 163.9 49.1 -15.2 39.9 60 60 A K H > S+ 0 0 84 1,-0.3 4,-2.8 2,-0.3 5,-0.2 0.855 121.4 55.1 -65.1 -36.2 45.6 -13.9 39.6 61 61 A D H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.889 109.7 50.3 -62.7 -33.7 46.7 -10.4 39.2 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -2,-0.3 0.946 108.4 49.0 -64.8 -52.2 48.8 -11.8 36.4 63 63 A A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -34,-0.3 0.884 110.2 55.6 -57.9 -33.6 45.8 -13.6 34.8 64 64 A E H X S+ 0 0 67 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.930 106.3 47.9 -64.8 -43.9 43.9 -10.3 35.1 65 65 A K H < S+ 0 0 113 -4,-1.8 4,-0.2 2,-0.2 -1,-0.2 0.855 111.9 49.2 -65.1 -34.3 46.4 -8.3 33.2 66 66 A L H >X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 3,-1.9 0.963 112.5 51.1 -65.5 -51.5 46.5 -10.9 30.5 67 67 A F H 3X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.921 105.0 53.4 -51.1 -54.1 42.8 -10.8 30.5 68 68 A N H 3X S+ 0 0 76 -4,-3.3 4,-0.8 1,-0.2 -1,-0.3 0.633 111.7 48.5 -67.9 -1.1 42.6 -7.0 30.2 69 69 A Q H <> S+ 0 0 83 -3,-1.9 4,-1.8 -4,-0.2 -2,-0.2 0.835 106.9 52.5 -95.1 -45.5 44.8 -7.4 27.2 70 70 A D H X S+ 0 0 39 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.758 108.6 56.0 -56.9 -31.5 42.9 -10.0 25.6 71 71 A V H >X S+ 0 0 22 -4,-2.1 4,-2.3 -5,-0.3 3,-1.3 0.989 105.7 44.2 -67.0 -78.7 39.9 -7.8 26.0 72 72 A D H 3X S+ 0 0 87 -4,-0.8 4,-2.3 1,-0.3 -2,-0.2 0.785 113.0 55.2 -39.1 -31.3 41.0 -4.6 24.2 73 73 A A H 3X S+ 0 0 42 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.976 108.6 47.5 -65.0 -50.3 42.4 -6.9 21.5 74 74 A A H < S+ 0 0 3 -4,-1.8 3,-2.0 2,-0.2 -2,-0.2 0.972 112.7 55.3 -56.1 -47.8 38.8 -6.8 16.0 78 78 A I H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 7,-0.6 0.935 110.3 41.9 -48.5 -62.1 35.2 -5.9 16.9 79 79 A L H 3< S+ 0 0 71 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.506 112.5 55.9 -68.6 -0.7 35.5 -2.3 15.9 80 80 A R T << S+ 0 0 179 -3,-2.0 2,-0.4 -4,-0.6 -1,-0.3 0.060 92.0 96.6-114.8 20.5 37.4 -3.3 12.8 81 81 A N <> - 0 0 31 -3,-1.8 4,-1.4 1,-0.1 -3,-0.0 -0.929 65.7-148.1-116.6 136.9 34.7 -5.6 11.7 82 82 A A T 4 S+ 0 0 86 -2,-0.4 -1,-0.1 2,-0.2 -4,-0.0 0.883 99.5 36.0 -65.6 -50.7 31.9 -4.7 9.2 83 83 A K T > S+ 0 0 117 2,-0.1 4,-1.1 1,-0.1 -1,-0.1 0.958 121.8 41.0 -72.9 -57.1 29.3 -6.9 10.9 84 84 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.916 102.8 67.4 -62.8 -43.3 30.1 -6.5 14.5 85 85 A K H X S+ 0 0 96 -4,-1.4 4,-3.3 -7,-0.6 -1,-0.2 0.864 100.8 43.3 -47.5 -55.6 30.9 -2.8 14.7 86 86 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.972 117.0 48.5 -58.0 -52.2 27.5 -1.4 14.0 87 87 A V H >< S+ 0 0 1 -4,-1.1 3,-1.2 1,-0.2 4,-0.5 0.957 115.9 42.4 -48.8 -65.8 25.9 -3.8 16.3 88 88 A Y H >< S+ 0 0 32 -4,-3.0 3,-2.2 1,-0.3 -1,-0.2 0.857 109.9 59.0 -46.7 -46.7 28.3 -3.2 19.1 89 89 A D H 3< S+ 0 0 78 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.868 108.7 45.2 -49.3 -43.6 28.2 0.5 18.4 90 90 A S T << S+ 0 0 41 -4,-2.2 -1,-0.3 -3,-1.2 -2,-0.2 0.414 95.4 97.8 -83.9 -2.2 24.6 0.4 19.1 91 91 A L S < S- 0 0 7 -3,-2.2 2,-0.1 -4,-0.5 31,-0.0 -0.588 72.2-119.6 -89.9 157.6 24.7 -1.7 22.3 92 92 A D > - 0 0 56 -2,-0.2 4,-3.5 1,-0.1 3,-0.3 -0.479 38.5 -97.9 -84.7 159.9 24.6 -0.5 25.8 93 93 A A H > S+ 0 0 72 1,-0.3 4,-1.8 2,-0.3 5,-0.1 0.830 123.7 46.2 -48.9 -48.1 27.5 -1.4 28.1 94 94 A V H > S+ 0 0 29 1,-0.2 4,-1.0 62,-0.2 -1,-0.3 0.890 115.1 49.6 -65.5 -34.4 26.1 -4.3 29.8 95 95 A R H > S+ 0 0 27 -3,-0.3 4,-1.4 1,-0.2 3,-0.5 0.908 103.7 58.2 -71.5 -36.5 25.0 -5.4 26.5 96 96 A R H >X S+ 0 0 69 -4,-3.5 4,-2.9 1,-0.2 3,-0.6 0.902 100.6 59.0 -56.1 -41.2 28.5 -4.9 25.0 97 97 A C H 3X S+ 0 0 22 -4,-1.8 4,-3.2 1,-0.3 -1,-0.2 0.839 103.0 52.4 -51.5 -40.4 29.9 -7.4 27.7 98 98 A A H 3X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.5 -1,-0.3 0.877 109.5 47.6 -66.3 -41.3 27.7 -10.1 26.4 99 99 A L H S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.726 129.3 51.2 -49.5 -36.1 35.3 -12.7 16.0 109 109 A T H > S+ 0 0 124 2,-0.2 4,-0.8 -3,-0.1 -1,-0.2 0.987 106.4 50.6 -71.1 -56.5 34.4 -14.9 13.1 110 110 A G H >< S+ 0 0 32 -4,-0.9 3,-1.1 1,-0.2 -2,-0.2 0.889 113.8 46.3 -45.7 -52.4 31.9 -17.2 14.9 111 111 A V H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.886 105.8 58.9 -60.1 -45.2 30.0 -14.3 16.3 112 112 A A H 3< S+ 0 0 8 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.652 95.2 67.2 -66.0 -7.5 29.9 -12.4 13.1 113 113 A G T << + 0 0 54 -3,-1.1 2,-1.0 -4,-0.8 -1,-0.3 0.353 69.6 93.1 -96.3 8.4 28.1 -15.3 11.5 114 114 A F <> + 0 0 36 -3,-1.6 4,-3.0 1,-0.2 5,-0.4 -0.575 54.8 172.4 -96.9 59.4 24.9 -15.0 13.4 115 115 A T H > + 0 0 81 -2,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.782 69.0 38.6 -34.7 -54.0 23.4 -12.8 10.7 116 116 A N H >> S+ 0 0 82 2,-0.2 4,-1.9 -3,-0.2 3,-0.7 0.988 116.1 46.0 -68.8 -63.8 19.9 -12.7 12.0 117 117 A S H 3> S+ 0 0 5 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.820 111.7 53.9 -53.4 -40.8 20.4 -12.4 15.7 118 118 A L H 3X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.3 0.913 107.2 53.1 -61.7 -36.1 23.0 -9.8 15.2 119 119 A R H S+ 0 0 34 -4,-1.9 4,-2.1 2,-0.3 5,-2.0 0.909 108.5 53.6 -58.3 -52.2 17.9 -8.0 15.8 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.950 109.6 51.0 -52.1 -42.3 20.2 -6.9 18.5 122 122 A Q H 3<5S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.3 0.856 112.0 46.6 -62.9 -34.5 21.0 -4.1 16.2 123 123 A Q H 3<5S- 0 0 103 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.3 0.663 115.1-117.4 -79.2 -18.7 17.3 -3.5 16.0 124 124 A K T <<5 + 0 0 119 -4,-2.1 2,-1.0 -3,-0.8 -3,-0.2 0.799 64.2 146.3 82.2 33.7 16.8 -3.7 19.7 125 125 A R >< + 0 0 112 -5,-2.0 4,-3.7 1,-0.2 5,-0.3 -0.639 17.8 170.9-102.6 66.7 14.6 -6.7 19.4 126 126 A W H > S+ 0 0 55 -2,-1.0 4,-3.0 1,-0.2 -1,-0.2 0.875 70.7 42.0 -45.5 -57.3 15.7 -8.2 22.6 127 127 A D H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.864 116.3 48.8 -64.5 -35.4 13.2 -11.0 22.9 128 128 A E H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.954 112.6 48.7 -66.1 -48.4 13.4 -11.9 19.3 129 129 A A H X S+ 0 0 0 -4,-3.7 4,-4.3 1,-0.2 5,-0.4 0.957 111.4 50.7 -55.4 -49.1 17.1 -11.9 19.4 130 130 A A H X S+ 0 0 8 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.916 110.8 45.9 -58.6 -47.6 17.0 -14.0 22.5 131 131 A V H < S+ 0 0 83 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.901 114.6 51.8 -63.7 -34.2 14.7 -16.6 21.1 132 132 A N H >< S+ 0 0 42 -4,-2.8 3,-3.2 -5,-0.3 -2,-0.2 0.995 110.0 44.8 -62.8 -57.4 16.8 -16.5 18.1 133 133 A L H >< S+ 0 0 3 -4,-4.3 3,-2.0 1,-0.3 6,-0.4 0.841 100.8 73.9 -57.4 -26.2 20.0 -17.0 19.8 134 134 A A T 3< S+ 0 0 39 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.631 95.1 51.2 -68.2 -3.8 18.3 -19.6 21.8 135 135 A K T < S+ 0 0 132 -3,-3.2 -1,-0.3 -4,-0.2 -2,-0.2 0.330 81.4 113.1-113.7 16.0 18.4 -21.8 18.9 136 136 A S S <> S- 0 0 20 -3,-2.0 4,-1.4 -4,-0.1 5,-0.1 -0.232 76.4-118.8 -76.3 167.5 22.0 -21.7 17.8 137 137 A R H > S+ 0 0 172 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.892 116.8 65.2 -65.7 -36.1 24.4 -24.8 18.0 138 138 A W H >> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.3 3,-0.9 0.926 99.3 46.9 -43.5 -62.4 26.2 -22.4 20.4 139 139 A Y H 34 S+ 0 0 58 -6,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.911 112.5 50.7 -51.8 -45.5 23.4 -22.4 22.9 140 140 A N H 3< S+ 0 0 107 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.3 0.812 109.8 51.3 -67.9 -25.8 23.2 -26.1 22.6 141 141 A Q H << S+ 0 0 149 -4,-1.5 -2,-0.2 -3,-0.9 -1,-0.2 0.989 128.3 15.1 -72.8 -58.8 26.9 -26.5 23.2 142 142 A T S X S+ 0 0 50 -4,-2.2 4,-2.9 1,-0.2 -1,-0.3 -0.780 72.3 169.1-120.0 81.4 27.2 -24.4 26.3 143 143 A P H > S+ 0 0 58 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.881 73.4 49.1 -58.9 -48.3 23.7 -23.9 27.7 144 144 A N H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.925 117.6 39.2 -62.5 -49.0 24.5 -22.4 31.0 145 145 A R H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 118.5 51.1 -63.8 -47.1 26.9 -19.8 29.8 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.7 1,-0.2 5,-0.3 0.911 107.9 50.0 -56.5 -51.1 24.6 -19.3 26.8 147 147 A K H X S+ 0 0 128 -4,-3.8 4,-3.2 1,-0.2 5,-0.2 0.931 111.7 50.6 -53.7 -44.1 21.5 -18.8 28.9 148 148 A R H X S+ 0 0 49 -4,-2.0 4,-1.6 -5,-0.2 12,-0.2 0.920 114.1 43.4 -61.7 -43.4 23.3 -16.2 31.0 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.936 114.3 48.6 -69.8 -45.2 24.5 -14.3 28.1 150 150 A I H >X S+ 0 0 11 -4,-3.7 4,-2.3 1,-0.2 3,-0.9 0.954 108.2 54.7 -62.4 -41.7 21.4 -14.4 26.3 151 151 A T H 3X S+ 0 0 35 -4,-3.2 4,-3.7 1,-0.3 5,-0.4 0.890 105.7 54.5 -59.3 -32.8 19.5 -13.3 29.4 152 152 A T H 3X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.3 0.804 105.2 51.8 -70.3 -29.3 21.8 -10.4 29.6 153 153 A F H << S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.939 116.0 41.8 -69.1 -45.1 21.0 -9.4 26.1 154 154 A R H < S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.979 127.3 29.7 -60.7 -61.0 17.3 -9.5 26.8 155 155 A T H < S- 0 0 50 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.849 87.2-143.2 -78.9 -29.5 17.4 -7.9 30.2 156 156 A G < + 0 0 13 -4,-1.8 2,-0.3 -5,-0.4 -62,-0.2 0.758 68.2 95.1 71.6 25.1 20.4 -5.7 29.7 157 157 A T S > S- 0 0 42 -6,-0.3 3,-0.5 -63,-0.1 -1,-0.3 -0.875 83.4-113.8-139.6 173.1 21.4 -6.3 33.4 158 158 A W T >> S+ 0 0 33 -2,-0.3 3,-3.6 1,-0.2 4,-0.8 0.241 76.7 118.3 -90.6 5.0 23.8 -8.7 35.4 159 159 A D H >> + 0 0 100 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.755 64.8 63.3 -45.2 -35.6 20.9 -10.3 37.0 160 160 A A H <4 S+ 0 0 22 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.516 108.9 43.3 -69.7 -7.5 21.8 -13.6 35.5 161 161 A Y H X4 S+ 0 0 13 -3,-3.6 3,-0.6 -13,-0.1 -1,-0.3 0.503 89.9 88.7-113.1 -13.7 25.0 -13.4 37.5 162 162 A K H << S+ 0 0 116 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.1 0.858 97.2 24.4 -57.7 -41.1 23.7 -12.2 40.8 163 163 A N T 3< 0 0 165 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.0 -0.568 360.0 360.0-131.6 72.7 22.9 -15.5 42.5 164 164 A L < 0 0 148 -3,-0.6 -1,-0.1 -2,-0.3 -2,-0.1 0.667 360.0 360.0 -93.3 360.0 25.0 -18.3 41.1