==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-13 4K6D . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,E.FLORES,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 24.0 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A K 0 0 243 0, 0.0 2,-0.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 154.2 -14.8 -25.8 5.0 2 7 A L - 0 0 46 58,-0.1 2,-0.3 103,-0.0 60,-0.1 -0.414 360.0-164.9 -74.0 155.4 -12.3 -23.2 3.5 3 8 A H - 0 0 105 58,-0.3 58,-0.5 -2,-0.1 2,-0.3 -0.990 19.4-117.1-141.9 159.2 -13.7 -20.2 1.7 4 9 A K - 0 0 87 -2,-0.3 56,-0.2 56,-0.2 73,-0.1 -0.721 28.5-172.4 -91.0 140.4 -12.5 -17.6 -0.7 5 10 A E E -A 59 0A 20 54,-2.3 54,-2.8 -2,-0.3 2,-0.0 -0.954 27.0-104.5-129.3 146.9 -12.5 -13.9 0.4 6 11 A P E +A 58 0A 107 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.339 41.6 163.6 -70.7 153.0 -11.8 -10.8 -1.8 7 12 A A E -A 57 0A 14 50,-1.9 50,-0.7 15,-0.1 2,-0.4 -0.956 29.4-122.3-152.2 174.0 -8.6 -8.8 -1.6 8 13 A T E -D 21 0B 93 13,-2.0 13,-3.1 -2,-0.3 2,-0.3 -0.983 22.9-121.2-124.2 132.9 -6.8 -6.2 -3.7 9 14 A L E +D 20 0B 40 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.526 32.0 168.7 -66.5 126.7 -3.3 -6.5 -5.0 10 15 A I E - 0 0 85 9,-2.6 2,-0.3 -2,-0.3 10,-0.2 0.799 67.7 -19.1 -98.2 -50.5 -1.0 -3.7 -3.8 11 16 A K E -D 19 0B 125 8,-1.9 8,-3.2 40,-0.0 2,-0.5 -0.936 52.7-128.5-159.2 134.6 2.3 -5.0 -5.0 12 17 A A E -D 18 0B 9 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.754 26.0-176.9 -77.9 130.0 3.9 -8.3 -6.1 13 18 A I - 0 0 70 4,-1.9 2,-0.2 -2,-0.5 5,-0.2 0.917 54.1 -40.6 -95.5 -55.1 7.1 -8.8 -4.0 14 19 A D S S- 0 0 54 3,-1.5 -1,-0.2 29,-0.1 3,-0.2 -0.619 87.3 -49.9-150.6-150.9 8.8 -12.0 -5.3 15 20 A G S S+ 0 0 1 22,-0.3 73,-0.1 1,-0.2 3,-0.0 0.721 133.3 12.0 -68.7 -23.5 7.8 -15.5 -6.4 16 21 A D S S+ 0 0 6 20,-0.1 15,-2.8 1,-0.1 2,-0.3 0.319 112.7 74.3-141.6 14.2 5.6 -16.2 -3.3 17 22 A T E + E 0 30B 11 13,-0.2 -4,-1.9 -3,-0.2 -3,-1.5 -0.956 47.9 164.3-139.1 144.6 5.0 -13.0 -1.4 18 23 A M E -DE 12 29B 1 11,-2.1 11,-2.8 -2,-0.3 2,-0.5 -0.941 36.7-116.9-151.4 162.3 2.9 -9.9 -2.0 19 24 A K E +DE 11 28B 85 -8,-3.2 -9,-2.6 -2,-0.3 -8,-1.9 -0.968 40.2 179.3-105.0 129.8 1.3 -6.9 -0.4 20 25 A L E -DE 9 27B 1 7,-3.0 7,-2.7 -2,-0.5 2,-0.7 -0.936 34.2-125.7-124.4 152.5 -2.5 -7.0 -0.4 21 26 A M E -DE 8 26B 69 -13,-3.1 -13,-2.0 -2,-0.3 2,-0.5 -0.896 37.1-176.9 -89.6 116.6 -5.2 -4.7 0.8 22 27 A Y E > - E 0 25B 30 3,-3.0 3,-1.6 -2,-0.7 -15,-0.1 -0.968 66.1 -21.8-125.5 119.5 -7.2 -7.0 3.0 23 28 A K T 3 S- 0 0 162 -2,-0.5 -1,-0.1 -17,-0.3 -16,-0.1 0.894 129.4 -49.9 47.3 43.3 -10.4 -5.7 4.7 24 29 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.510 119.8 101.4 82.4 3.4 -9.1 -2.2 4.2 25 30 A Q E < S-E 22 0B 138 -3,-1.6 -3,-3.0 2,-0.0 2,-0.3 -0.982 72.2-122.4-122.4 132.1 -5.6 -2.8 5.7 26 31 A P E +E 21 0B 92 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.546 42.7 169.5 -64.7 132.4 -2.4 -3.3 3.8 27 32 A M E -E 20 0B 46 -7,-2.7 -7,-3.0 -2,-0.3 2,-0.4 -0.993 37.3-118.3-145.5 147.7 -0.8 -6.6 4.7 28 33 A T E -E 19 0B 31 -2,-0.3 45,-3.0 43,-0.3 2,-0.4 -0.736 33.7-164.3 -81.3 135.1 2.1 -8.8 3.5 29 34 A F E -Ef 18 73B 0 -11,-2.8 -11,-2.1 -2,-0.4 2,-0.4 -0.960 6.8-160.3-120.4 146.7 0.8 -12.2 2.4 30 35 A R E -Ef 17 74B 17 43,-3.1 45,-1.7 -2,-0.4 2,-0.3 -0.965 27.5-110.7-126.0 132.3 2.9 -15.3 1.8 31 36 A L E > - f 0 75B 1 -15,-2.8 3,-0.8 -2,-0.4 45,-0.2 -0.503 34.9-120.5 -63.5 133.4 1.7 -18.3 -0.3 32 37 A L T 3 S+ 0 0 11 43,-2.4 45,-0.1 -2,-0.3 67,-0.1 -0.317 83.4 5.9 -65.4 144.7 1.0 -21.4 1.7 33 38 A L T 3 S+ 0 0 2 65,-0.5 64,-1.8 1,-0.1 2,-0.3 0.472 106.7 92.5 70.8 10.3 2.9 -24.7 1.0 34 39 A V E < -H 96 0C 0 -3,-0.8 2,-0.4 62,-0.3 62,-0.2 -0.909 50.0-161.2-135.5 156.9 5.4 -23.4 -1.6 35 40 A D E -H 95 0C 66 60,-1.9 60,-2.1 -2,-0.3 -3,-0.0 -0.970 10.3-161.4-135.6 120.8 8.8 -22.1 -1.9 36 41 A T 0 0 6 -2,-0.4 58,-0.2 58,-0.2 -20,-0.1 -0.840 360.0 360.0 -95.3 146.8 10.0 -20.2 -4.9 37 42 A P 0 0 82 0, 0.0 -22,-0.3 0, 0.0 7,-0.1 -0.011 360.0 360.0 -55.9 360.0 13.8 -19.8 -5.5 38 ! 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 39 54 A Y > 0 0 100 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 1.1 14.8 -19.6 -11.5 40 55 A G H > + 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 360.0 42.9 -46.0 -56.3 14.3 -17.0 -8.8 41 56 A P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.870 114.6 50.8 -66.9 -35.2 13.8 -14.2 -11.3 42 57 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.875 110.2 48.9 -64.0 -43.5 11.5 -16.4 -13.5 43 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.945 112.8 49.1 -60.7 -45.1 9.3 -17.4 -10.5 44 59 A S H X S+ 0 0 38 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.910 112.1 48.6 -59.7 -42.4 9.1 -13.7 -9.5 45 60 A A H X S+ 0 0 55 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.915 111.5 48.3 -64.6 -43.6 8.1 -12.7 -13.0 46 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.950 113.9 46.8 -63.3 -49.0 5.4 -15.5 -13.4 47 62 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.955 113.0 49.3 -56.4 -49.7 3.9 -14.6 -10.0 48 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.921 113.2 46.2 -58.8 -47.0 3.9 -10.8 -10.8 49 64 A K H X S+ 0 0 149 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.959 112.0 50.7 -64.2 -44.4 2.3 -11.3 -14.2 50 65 A M H X S+ 0 0 32 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.916 118.2 36.6 -59.3 -46.2 -0.4 -13.7 -12.9 51 66 A V H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.866 116.9 50.9 -77.7 -33.3 -1.5 -11.4 -10.0 52 67 A E H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.898 112.0 47.5 -72.1 -36.4 -1.1 -8.1 -11.8 53 68 A N H < S+ 0 0 121 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.640 90.5 104.6 -76.4 -21.8 -3.1 -9.2 -14.8 54 69 A A < - 0 0 18 -4,-0.7 3,-0.1 -5,-0.2 -3,-0.0 -0.342 58.4-154.8 -62.8 144.5 -6.0 -10.7 -12.8 55 70 A K S S+ 0 0 178 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.816 84.4 32.0 -84.6 -29.0 -9.2 -8.8 -12.6 56 71 A K - 0 0 130 -48,-0.0 24,-2.9 -50,-0.0 2,-0.4 -0.990 65.7-164.6-131.4 124.4 -10.1 -10.5 -9.2 57 72 A I E -AB 7 79A 14 -50,-0.7 -50,-1.9 -2,-0.4 2,-0.4 -0.923 11.8-170.6-103.3 136.3 -7.8 -11.6 -6.4 58 73 A E E -AB 6 78A 51 20,-2.3 20,-2.8 -2,-0.4 2,-0.4 -0.973 13.4-147.9-128.1 144.0 -9.1 -13.9 -3.6 59 74 A V E -AB 5 77A 0 -54,-2.8 -54,-2.3 -2,-0.4 2,-0.4 -0.922 10.4-172.7-101.6 131.8 -7.6 -15.0 -0.3 60 75 A E E - B 0 76A 10 16,-2.4 16,-2.9 -2,-0.4 -56,-0.2 -0.934 11.1-156.6-127.7 107.4 -8.4 -18.5 1.0 61 76 A F - 0 0 15 -58,-0.5 -58,-0.3 -2,-0.4 14,-0.2 -0.406 16.0-127.9 -73.9 154.4 -7.0 -19.1 4.6 62 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.084 37.7 -85.9 -86.7-163.7 -6.4 -22.8 5.6 63 78 A K S S+ 0 0 131 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.591 106.0 39.5 -93.5 -4.9 -7.9 -24.2 8.8 64 79 A G S S+ 0 0 23 1,-0.3 37,-0.1 38,-0.0 -2,-0.0 0.148 107.5 4.1-109.5-136.1 -5.1 -23.2 11.3 65 80 A Q - 0 0 112 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.206 48.2-163.8 -55.7 140.7 -2.9 -20.1 11.7 66 81 A R S S+ 0 0 119 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.490 73.7 40.9-106.2 -8.8 -3.7 -17.3 9.4 67 82 A T B S-G 73 0B 74 6,-0.3 6,-0.2 -38,-0.1 2,-0.1 -0.966 73.7-135.4-135.1 155.6 -0.5 -15.4 10.0 68 83 A D > - 0 0 32 4,-2.0 3,-2.0 -2,-0.3 -2,-0.1 -0.357 44.3 -86.1 -97.5-179.6 3.2 -16.4 10.3 69 84 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.692 127.6 58.8 -64.3 -19.3 5.8 -15.2 12.9 70 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.304 119.8-107.1 -88.5 5.7 6.6 -12.3 10.5 71 86 A G S < S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.3 -43,-0.3 0.574 72.9 145.2 79.1 11.1 3.0 -11.0 10.6 72 87 A R - 0 0 60 -45,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.630 54.9-116.1 -85.3 135.0 2.4 -12.2 7.0 73 88 A G E -fG 29 67B 0 -45,-3.0 -43,-3.1 -2,-0.3 2,-0.6 -0.430 26.4-144.6 -57.9 139.4 -1.1 -13.6 6.0 74 89 A L E +f 30 0B 26 -8,-2.4 -12,-0.5 -45,-0.2 2,-0.3 -0.964 40.6 134.2-113.2 114.7 -0.8 -17.3 5.1 75 90 A A E -f 31 0B 0 -45,-1.7 -43,-2.4 -2,-0.6 2,-0.5 -0.978 61.8-105.9-151.2 163.9 -3.2 -18.2 2.3 76 91 A Y E -B 60 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.4 -0.862 45.9-150.7 -85.3 125.4 -4.0 -19.9 -1.0 77 92 A I E -B 59 0A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.923 8.3-158.9-106.1 132.9 -4.2 -16.9 -3.4 78 93 A Y E -BC 58 83A 16 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.6 -0.935 7.1-162.2-115.2 134.7 -6.5 -17.1 -6.5 79 94 A A E > S-BC 57 82A 7 3,-2.7 3,-2.0 -2,-0.4 -22,-0.2 -0.982 86.5 -21.6-114.0 110.8 -6.1 -14.9 -9.6 80 95 A D T 3 S- 0 0 73 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.887 130.7 -50.0 51.8 40.6 -9.4 -15.0 -11.6 81 96 A G T 3 S+ 0 0 48 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.410 114.8 116.8 83.4 -0.2 -10.3 -18.3 -9.8 82 97 A K E < -C 79 0A 105 -3,-2.0 -3,-2.7 4,-0.0 2,-0.4 -0.882 69.5-120.6-103.2 128.3 -6.9 -20.0 -10.5 83 98 A M E > -C 78 0A 14 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.465 16.2-159.0 -71.7 122.5 -4.7 -20.9 -7.6 84 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.4 -2,-0.4 5,-0.2 0.894 90.9 58.1 -68.3 -35.8 -1.4 -19.1 -7.8 85 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.940 111.1 42.1 -59.5 -43.1 0.3 -21.5 -5.5 86 101 A E H > S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 110.5 57.6 -69.9 -38.9 -0.6 -24.5 -7.8 87 102 A A H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.911 107.9 46.1 -60.5 -44.7 0.2 -22.5 -11.0 88 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.7 0.917 114.6 46.3 -62.4 -44.0 3.8 -21.9 -9.8 89 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.3 4,-0.2 5,-0.2 0.933 108.3 57.7 -65.5 -40.5 4.3 -25.5 -8.7 90 105 A R H 3<5S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.9 48.0 -63.2 -28.6 2.8 -26.8 -12.1 91 106 A Q T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.398 115.9-113.5 -86.2 -2.5 5.4 -24.8 -14.0 92 107 A G T < 5S+ 0 0 0 -3,-2.3 32,-2.7 2,-0.2 -3,-0.2 0.877 87.2 118.7 64.6 34.7 8.4 -26.1 -11.9 93 108 A L S - 0 0 150 -2,-1.2 3,-1.9 3,-0.5 -67,-0.0 -0.919 30.8-102.8-117.9 109.1 3.0 -27.0 8.7 101 116 A K T 3 S+ 0 0 157 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.325 101.8 30.3 -66.8 148.7 -0.1 -28.8 10.0 102 117 A P T 3 S+ 0 0 52 0, 0.0 2,-2.0 0, 0.0 -39,-0.5 -0.972 112.1 69.6 -87.9 8.2 -2.8 -28.1 10.3 103 118 A N S < S+ 0 0 6 -3,-1.9 -3,-0.5 1,-0.2 -70,-0.1 -0.443 71.7 100.6 -81.2 69.1 -2.4 -25.7 7.2 104 119 A N > + 0 0 42 -2,-2.0 3,-2.1 -5,-0.1 4,-0.4 0.158 30.3 125.8-137.3 22.2 -2.1 -28.6 4.7 105 120 A T T 3 S+ 0 0 66 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.853 84.1 35.3 -55.1 -43.3 -5.5 -28.8 3.1 106 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.194 84.7 110.1 -96.8 17.5 -4.2 -28.5 -0.5 107 122 A E H <> S+ 0 0 33 -3,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.898 78.1 46.6 -61.2 -46.3 -1.0 -30.4 0.0 108 123 A Q H > S+ 0 0 120 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.921 112.3 51.7 -62.5 -45.1 -1.9 -33.5 -2.1 109 124 A H H > S+ 0 0 100 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 113.2 43.8 -53.8 -52.0 -3.2 -31.3 -4.9 110 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.867 110.4 56.0 -64.9 -35.0 0.0 -29.3 -5.0 111 126 A R H X S+ 0 0 93 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.879 106.1 50.6 -68.4 -34.2 2.1 -32.5 -4.7 112 127 A K H X S+ 0 0 153 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.909 109.4 50.6 -69.6 -40.9 0.5 -33.9 -7.8 113 128 A S H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.893 110.2 50.5 -59.5 -40.6 1.2 -30.8 -9.7 114 129 A E H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.891 106.9 53.5 -62.8 -41.2 4.8 -30.9 -8.7 115 130 A A H X S+ 0 0 57 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.883 110.0 49.4 -63.8 -37.6 5.1 -34.5 -9.8 116 131 A Q H X S+ 0 0 68 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 109.8 49.4 -67.0 -46.9 3.8 -33.5 -13.2 117 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.840 113.6 47.4 -57.1 -39.4 6.2 -30.6 -13.5 118 133 A K H ><5S+ 0 0 116 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.902 110.4 50.8 -71.7 -41.0 9.0 -33.0 -12.6 119 134 A K H 3<5S+ 0 0 166 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.800 114.4 45.8 -64.0 -31.7 7.8 -35.6 -15.1 120 135 A E T 3<5S- 0 0 82 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.373 109.4-128.8 -88.8 -1.3 7.8 -32.9 -17.7 121 136 A K T < 5 + 0 0 141 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.810 42.5 177.3 54.9 40.6 11.2 -31.6 -16.7 122 137 A L > < - 0 0 45 -5,-2.5 3,-2.7 3,-0.1 -1,-0.2 -0.586 45.9 -56.7 -80.1 131.5 10.1 -28.0 -16.3 123 138 A N G > S+ 0 0 51 -2,-0.4 3,-2.7 1,-0.3 -30,-0.2 -0.182 135.3 29.8 53.3-105.5 12.3 -25.2 -15.1 124 139 A I G 3 S+ 0 0 39 -32,-2.7 -1,-0.3 1,-0.3 -31,-0.1 0.838 126.4 50.4 -53.9 -33.6 13.7 -26.2 -11.7 125 140 A W G < 0 0 59 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.273 360.0 360.0 -92.4 9.2 13.4 -29.8 -12.8 126 141 A S < 0 0 106 -3,-2.7 -1,-0.2 -34,-0.2 -2,-0.2 0.856 360.0 360.0 -84.3 360.0 15.3 -29.2 -16.1