==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-11 3T16 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,B.M.DOCTROW,B.GARCIA-MORENO E.,A.HEROUX . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 70.2 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 . 34 27.4 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 22.6 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 L 0 0 100 0, 0.0 2,-0.3 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 168.2 -12.9 23.3 -7.4 2 8 A H - 0 0 120 58,-0.4 58,-0.5 59,-0.1 2,-0.3 -0.995 360.0-124.4-139.7 151.1 -14.0 20.0 -5.8 3 9 A K - 0 0 93 -2,-0.3 56,-0.2 56,-0.2 73,-0.1 -0.646 25.0-165.1 -86.8 142.7 -12.7 17.4 -3.5 4 10 A E E -A 58 0A 25 54,-2.5 54,-2.8 -2,-0.3 2,-0.0 -0.964 25.7-102.1-125.0 147.4 -12.6 13.8 -4.5 5 11 A P E +A 57 0A 109 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.309 42.5 166.6 -67.6 147.3 -12.1 10.8 -2.4 6 12 A A E -AB 56 21A 12 50,-1.8 50,-0.8 15,-0.1 2,-0.4 -0.968 27.2-134.8-149.9 162.4 -8.8 8.9 -2.2 7 13 A T E - B 0 20A 94 13,-1.8 13,-2.4 -2,-0.3 2,-0.4 -0.962 28.9-115.4-118.9 131.0 -7.1 6.3 0.0 8 14 A L E + B 0 19A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.565 35.2 170.7 -60.6 132.4 -3.6 6.7 1.3 9 15 A I E - 0 0 74 9,-2.3 2,-0.3 -2,-0.4 10,-0.2 0.779 66.1 -14.5-100.7 -47.8 -1.4 4.0 -0.1 10 16 A K E - B 0 18A 123 8,-2.5 8,-3.4 40,-0.0 -1,-0.3 -0.905 54.0-127.5-161.0 131.1 1.9 5.3 1.1 11 17 A A E + B 0 17A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.574 29.7 173.6 -71.9 137.0 3.6 8.5 2.4 12 18 A I E - 0 0 77 4,-1.6 2,-0.2 1,-0.5 5,-0.2 0.724 51.4 -40.3-111.3 -61.3 6.6 9.4 0.3 13 19 A D E > S- B 0 16A 64 3,-2.2 3,-0.8 29,-0.1 -1,-0.5 -0.776 76.1 -61.2-155.9-167.6 8.1 12.8 1.4 14 20 A G T 3 S+ 0 0 2 25,-0.3 73,-0.1 1,-0.2 78,-0.0 0.857 133.2 16.4 -57.2 -37.3 7.1 16.3 2.5 15 21 A N T 3 S+ 0 0 14 20,-0.1 15,-2.7 14,-0.0 2,-0.4 0.195 116.5 74.9-126.7 27.0 5.3 17.2 -0.7 16 22 A T E < +BC 13 29A 7 -3,-0.8 -3,-2.2 13,-0.2 -4,-1.6 -0.998 48.2 164.9-139.5 134.6 4.8 13.7 -2.3 17 23 A V E -BC 11 28A 0 11,-2.2 11,-3.0 -2,-0.4 2,-0.5 -0.992 30.7-130.8-145.7 148.8 2.3 11.0 -1.5 18 24 A K E +BC 10 27A 74 -8,-3.4 -8,-2.5 -2,-0.3 -9,-2.3 -0.921 34.7 173.6-105.2 125.0 1.0 7.8 -3.2 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.6 -0.909 39.0-119.1-126.1 156.6 -2.8 7.5 -3.2 20 26 A M E -BC 7 25A 71 -13,-2.4 -13,-1.8 -2,-0.3 2,-0.4 -0.874 41.7-178.4 -88.9 117.3 -5.4 5.2 -4.7 21 27 A Y E > -BC 6 24A 31 3,-4.0 3,-1.5 -2,-0.6 -15,-0.1 -0.996 64.3 -11.2-129.6 122.0 -7.3 7.6 -6.8 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.962 130.9 -53.1 49.6 56.3 -10.3 6.4 -8.8 23 29 A G T 3 S+ 0 0 65 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.608 123.6 98.3 60.1 14.4 -9.4 2.8 -8.1 24 30 A Q E < S-C 21 0A 134 -3,-1.5 -3,-4.0 2,-0.0 2,-0.2 -0.995 75.8-115.7-131.1 145.9 -5.9 3.3 -9.4 25 31 A P E +C 20 0A 64 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.480 41.0 170.1 -78.1 140.6 -2.5 4.0 -7.6 26 32 A M E -C 19 0A 47 -7,-2.3 -7,-2.7 -2,-0.2 2,-0.5 -0.974 34.1-127.0-153.4 134.2 -1.0 7.4 -8.4 27 33 A V E -C 18 0A 44 -2,-0.3 45,-2.6 43,-0.2 2,-0.4 -0.779 30.3-158.3 -83.0 128.6 1.9 9.5 -7.0 28 34 A F E -Cd 17 72A 0 -11,-3.0 -11,-2.2 -2,-0.5 2,-0.4 -0.951 9.2-153.7-107.3 134.9 0.6 13.0 -6.1 29 35 A R E -Cd 16 73A 66 43,-3.5 45,-1.5 -2,-0.4 2,-0.4 -0.934 30.4-115.7-104.7 131.1 2.8 16.1 -5.8 30 36 A L E > - d 0 74A 3 -15,-2.7 3,-1.2 -2,-0.4 45,-0.2 -0.540 35.3-118.0 -71.7 120.8 1.4 18.8 -3.4 31 37 A L T 3 S+ 0 0 9 43,-2.8 45,-0.1 -2,-0.4 -1,-0.1 -0.287 87.6 2.9 -55.2 137.8 0.6 22.0 -5.5 32 38 A L T 3 S+ 0 0 11 65,-0.2 64,-1.8 1,-0.2 2,-0.6 0.556 96.7 123.3 67.4 15.4 2.4 25.2 -4.6 33 39 A V E < -H 95 0B 4 -3,-1.2 2,-0.5 62,-0.2 62,-0.2 -0.940 38.3-171.8-114.5 117.0 4.7 23.6 -1.9 34 40 A D E -H 94 0B 78 60,-3.4 60,-2.6 -2,-0.6 -3,-0.0 -0.920 7.8-160.2-108.4 133.3 8.4 23.8 -2.2 35 41 A I 0 0 41 -2,-0.5 58,-0.1 58,-0.2 -20,-0.1 -0.896 360.0 360.0-115.5 109.6 10.8 22.0 0.1 36 42 A P 0 0 110 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 -0.229 360.0 360.0 -48.6 360.0 14.3 23.4 0.2 37 ! 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 38 54 A Y > 0 0 115 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 0.8 14.0 20.4 7.3 39 55 A G H > + 0 0 30 -3,-0.3 4,-2.4 2,-0.2 -25,-0.3 0.927 360.0 45.2 -55.7 -46.4 13.3 18.0 4.5 40 56 A P H > S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 113.0 51.7 -62.9 -41.6 13.2 15.1 7.0 41 57 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 109.7 48.6 -60.5 -45.1 11.0 17.2 9.2 42 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.938 110.3 52.1 -64.5 -41.8 8.6 17.9 6.4 43 59 A A H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 110.3 47.3 -57.7 -46.4 8.4 14.3 5.5 44 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.864 111.6 51.8 -66.3 -37.8 7.6 13.2 9.0 45 61 A F H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.960 113.1 42.0 -63.9 -52.9 4.9 15.9 9.2 46 62 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.913 113.1 55.1 -58.9 -41.8 3.1 15.0 6.0 47 63 A K H X S+ 0 0 99 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.916 110.9 44.5 -58.8 -48.8 3.5 11.2 6.9 48 64 A K H X S+ 0 0 137 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.937 112.2 51.6 -65.5 -45.5 1.8 11.7 10.2 49 65 A M H X S+ 0 0 39 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.901 117.7 37.2 -59.6 -42.8 -1.0 13.9 8.9 50 66 A V H < S+ 0 0 3 -4,-2.6 3,-0.4 2,-0.2 -1,-0.2 0.862 116.1 51.7 -78.5 -34.7 -1.9 11.4 6.1 51 67 A E H < S+ 0 0 95 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.853 112.8 46.0 -70.5 -28.6 -1.4 8.2 8.0 52 68 A N H < S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.596 90.9 109.4 -89.6 -9.4 -3.6 9.4 10.9 53 69 A A < - 0 0 21 -4,-0.5 3,-0.1 -3,-0.4 -45,-0.1 -0.305 52.7-161.8 -65.9 141.5 -6.4 10.7 8.6 54 70 A K S S+ 0 0 191 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.686 86.2 29.4 -89.2 -15.3 -9.7 8.9 8.5 55 71 A K - 0 0 115 2,-0.0 24,-3.1 -48,-0.0 2,-0.4 -0.987 66.1-170.2-143.9 128.5 -10.5 10.6 5.2 56 72 A I E -AE 6 78A 12 -50,-0.8 -50,-1.8 -2,-0.3 2,-0.4 -0.950 10.8-173.1-119.8 134.5 -8.0 11.8 2.5 57 73 A E E -AE 5 77A 28 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.979 13.2-149.1-126.3 150.3 -9.3 14.0 -0.4 58 74 A V E -AE 4 76A 0 -54,-2.8 -54,-2.5 -2,-0.4 2,-0.4 -0.937 10.2-170.5-114.2 141.0 -7.6 15.2 -3.6 59 75 A E E - E 0 75A 16 16,-2.3 16,-3.0 -2,-0.4 2,-0.2 -0.950 9.0-154.7-134.1 106.7 -8.5 18.5 -5.2 60 76 A F E - E 0 74A 22 -58,-0.5 -58,-0.4 -2,-0.4 14,-0.2 -0.537 15.6-130.9 -75.9 160.3 -7.2 19.3 -8.6 61 77 A D - 0 0 0 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.160 31.2 -93.7 -98.9-171.9 -6.8 22.9 -9.6 62 78 A K S S+ 0 0 123 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.459 101.8 68.1 -90.4 -0.4 -8.0 24.5 -12.9 63 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.076 105.6 -31.2-100.8-157.4 -4.7 24.1 -14.6 64 80 A Q - 0 0 101 36,-1.4 -1,-0.3 1,-0.1 -3,-0.2 -0.326 51.9-154.8 -62.9 141.1 -2.8 21.1 -15.8 65 81 A R + 0 0 134 -3,-0.1 8,-2.5 1,-0.1 2,-0.3 0.565 69.7 39.4-102.5 -12.6 -3.4 18.1 -13.6 66 82 A T B S-F 72 0A 68 6,-0.2 6,-0.2 -38,-0.1 2,-0.1 -0.984 71.8-134.8-134.1 149.5 -0.3 16.0 -14.1 67 83 A D > - 0 0 20 4,-2.2 3,-2.2 -2,-0.3 -2,-0.0 -0.316 41.9 -88.4 -89.3-179.3 3.4 16.9 -14.5 68 84 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.702 128.2 56.6 -64.5 -18.4 5.9 15.5 -17.0 69 85 A Y T 3 S- 0 0 152 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.273 121.0-107.8 -95.4 11.3 6.7 12.7 -14.6 70 86 A G S < S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -43,-0.2 0.592 70.2 146.8 75.6 9.3 3.0 11.6 -14.5 71 87 A R - 0 0 58 -45,-0.1 -4,-2.2 -43,-0.1 -43,-0.3 -0.639 52.6-116.9 -79.6 138.8 2.4 12.9 -11.0 72 88 A G E -dF 28 66A 0 -45,-2.6 -43,-3.5 -2,-0.3 2,-0.6 -0.503 22.7-145.0 -73.2 140.0 -1.0 14.2 -10.1 73 89 A L E +d 29 0A 10 -8,-2.5 -12,-0.5 -45,-0.2 2,-0.3 -0.940 44.1 128.8-109.6 106.5 -0.8 17.9 -9.1 74 90 A A E -dE 30 60A 0 -45,-1.5 -43,-2.8 -2,-0.6 2,-0.4 -0.945 62.9 -99.8-149.9 169.8 -3.3 18.6 -6.4 75 91 A Y E - E 0 59A 5 -16,-3.0 -16,-2.3 -2,-0.3 2,-0.4 -0.848 42.8-151.8 -89.0 131.2 -4.3 20.1 -3.0 76 92 A I E - E 0 58A 1 -2,-0.4 7,-2.9 -18,-0.2 8,-0.7 -0.918 9.8-164.2-112.9 135.3 -4.4 17.1 -0.6 77 93 A Y E -GE 82 57A 29 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.5 -0.937 9.6-161.5-119.6 146.3 -6.7 17.2 2.5 78 94 A A E > S-GE 81 56A 5 3,-2.8 3,-2.2 -2,-0.4 -22,-0.2 -0.973 84.0 -20.2-127.6 117.9 -6.6 15.0 5.5 79 95 A D T 3 S- 0 0 68 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.900 129.5 -53.2 48.7 41.0 -9.8 15.0 7.5 80 96 A G T 3 S+ 0 0 39 -25,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.349 113.7 115.4 83.0 -8.1 -10.7 18.3 5.8 81 97 A K E < -G 78 0A 150 -3,-2.2 -3,-2.8 4,-0.0 2,-0.4 -0.828 69.9-118.3 -99.0 136.4 -7.5 20.1 6.7 82 98 A G E > -G 77 0A 18 -2,-0.4 4,-1.8 -5,-0.2 -5,-0.2 -0.607 16.6-160.9 -76.0 126.8 -5.2 21.0 3.8 83 99 A V H > S+ 0 0 0 -7,-2.9 4,-2.5 -2,-0.4 5,-0.2 0.898 90.5 57.0 -71.1 -40.9 -1.8 19.4 4.0 84 100 A N H > S+ 0 0 4 -8,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.949 112.5 39.8 -55.7 -51.4 -0.3 21.9 1.6 85 101 A E H > S+ 0 0 67 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.903 111.7 57.4 -66.6 -37.8 -1.3 24.8 3.8 86 102 A A H X S+ 0 0 25 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.914 107.9 48.0 -63.6 -39.8 -0.4 23.0 7.1 87 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 6,-0.6 0.929 115.2 43.8 -66.1 -38.4 3.1 22.4 5.9 88 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.922 112.6 51.9 -70.8 -44.0 3.6 26.1 4.8 89 105 A R H 3<5S+ 0 0 86 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.3 53.5 -62.9 -30.6 1.9 27.4 8.0 90 106 A Q T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.444 116.0-114.9 -83.0 -0.0 4.3 25.2 10.1 91 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.6 2,-0.2 -3,-0.2 0.808 85.2 119.0 71.5 23.9 7.3 26.7 8.4 92 108 A L S - 0 0 73 3,-0.5 3,-1.6 -2,-0.3 -35,-0.1 -0.943 61.1 -31.2-114.8 116.1 2.8 26.1 -12.5 100 116 A K T 3 S- 0 0 114 -2,-0.6 -36,-1.4 1,-0.3 -1,-0.1 0.800 120.3 -44.5 49.8 47.4 0.5 26.1 -15.5 101 117 A G T 3 S+ 0 0 31 -38,-0.2 2,-1.5 1,-0.1 -39,-0.3 0.400 98.2 128.8 84.4 4.5 -2.6 28.0 -14.2 102 118 A N < + 0 0 0 -3,-1.6 -3,-0.5 1,-0.2 -1,-0.1 -0.588 28.1 117.3 -92.7 82.5 -2.8 26.2 -10.8 103 119 A N > + 0 0 61 -2,-1.5 3,-1.2 -5,-0.1 4,-0.5 0.159 23.2 118.9-130.0 14.3 -3.0 29.2 -8.5 104 120 A T T 3 S+ 0 0 64 1,-0.3 3,-0.4 -3,-0.2 4,-0.3 0.935 90.9 29.2 -52.2 -47.2 -6.4 29.0 -6.9 105 121 A H T 3> S+ 0 0 50 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.322 90.3 105.5 -97.4 6.9 -4.9 28.7 -3.3 106 122 A E H <> S+ 0 0 43 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.890 81.2 46.1 -53.3 -49.1 -1.7 30.7 -4.0 107 123 A Q H > S+ 0 0 119 -4,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.912 112.9 50.1 -68.8 -36.6 -2.8 33.8 -2.1 108 124 A H H > S+ 0 0 97 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.884 111.5 48.5 -65.0 -40.1 -4.1 31.9 0.8 109 125 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.894 106.9 56.1 -69.8 -37.9 -0.8 29.9 1.0 110 126 A R H X S+ 0 0 89 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.859 104.9 52.6 -58.1 -41.1 1.3 33.1 0.8 111 127 A K H X S+ 0 0 151 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.900 110.0 48.7 -59.3 -46.0 -0.6 34.4 3.9 112 128 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.910 111.5 50.2 -57.7 -46.0 0.2 31.2 5.8 113 129 A E H X S+ 0 0 23 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.883 108.1 52.2 -61.8 -44.1 3.9 31.5 4.8 114 130 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.874 110.5 49.2 -56.5 -44.1 4.0 35.2 5.9 115 131 A Q H X S+ 0 0 56 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.923 111.1 48.1 -67.2 -39.7 2.7 34.1 9.3 116 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.3 0.859 111.8 51.4 -65.1 -35.0 5.2 31.3 9.7 117 133 A K H ><5S+ 0 0 132 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.889 108.1 50.8 -68.2 -41.0 7.9 33.7 8.7 118 134 A K H 3<5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.1 48.9 -61.5 -38.0 6.8 36.2 11.3 119 135 A E T 3<5S- 0 0 88 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.546 106.6-132.1 -81.9 -1.2 6.8 33.5 13.9 120 136 A K T < 5 + 0 0 151 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.903 42.9 176.4 48.0 41.9 10.4 32.5 12.7 121 137 A L > < - 0 0 48 -5,-2.1 3,-2.9 4,-0.1 -1,-0.2 -0.677 46.2 -52.2 -80.8 129.3 9.2 28.8 12.6 122 138 A N G > S+ 0 0 40 -2,-0.4 3,-2.5 1,-0.3 -30,-0.2 -0.176 137.1 24.3 54.2-110.9 11.5 26.0 11.4 123 139 A I G 3 S+ 0 0 37 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.813 126.5 53.7 -58.4 -25.6 12.8 27.0 7.9 124 140 A W G < 0 0 57 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.2 0.364 360.0 360.0 -89.6 6.8 12.2 30.7 8.9 125 141 A S < 0 0 109 -3,-2.5 -4,-0.1 -4,-0.2 -5,-0.1 -0.111 360.0 360.0 -41.0 360.0 14.3 30.2 12.1