==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-10 3PMF . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,I.CLARK,J.L.SCHLESSMAN,GARCIA-MORENO E.B.,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 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 2.3 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 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 0 3 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 7 A L 0 0 84 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.7 2.5 -0.6 -8.3 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.990 360.0-121.1-138.6 146.5 3.0 -4.1 -6.9 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.577 28.7-170.2 -82.3 141.7 4.2 -5.6 -3.7 4 10 A E E -A 62 0A 21 58,-2.2 58,-2.7 -2,-0.3 2,-0.0 -0.958 26.7 -96.8-128.7 154.1 7.3 -7.9 -3.8 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.318 45.6 153.8 -72.2 151.9 8.8 -10.2 -1.1 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.6 15,-0.1 2,-0.3 -0.935 28.4-137.0-157.5 166.8 11.6 -9.3 1.2 7 13 A T E -D 20 0B 81 13,-1.7 13,-3.1 -2,-0.3 2,-0.3 -0.971 27.5-105.0-127.3 149.0 12.7 -10.3 4.7 8 14 A L E +D 19 0B 48 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.553 34.1 170.9 -66.6 132.3 14.0 -8.3 7.6 9 15 A I E S- 0 0 70 9,-2.9 2,-0.3 -2,-0.3 10,-0.2 0.789 70.2 -19.4 -99.9 -53.9 17.7 -8.4 8.2 10 16 A K E -D 18 0B 148 8,-1.9 8,-3.2 0, 0.0 -1,-0.3 -0.975 57.4-123.0-153.8 137.7 17.9 -5.6 10.8 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.485 31.4 174.9 -64.6 147.8 15.9 -2.6 11.9 12 18 A I - 0 0 87 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.636 49.2 -43.1-119.5 -71.0 18.0 0.6 11.7 13 19 A D S S- 0 0 22 3,-1.9 -1,-0.5 33,-0.1 3,-0.5 -0.701 76.6 -58.5-147.0-163.9 16.0 3.7 12.5 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.852 130.7 18.2 -56.1 -33.9 12.6 5.4 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.285 117.2 62.2-131.8 15.7 12.9 5.5 8.1 16 22 A T E + E 0 29B 14 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.1 -0.997 49.0 167.0-135.9 150.2 15.5 3.0 7.1 17 23 A A E -DE 11 28B 1 11,-1.8 11,-3.3 -2,-0.3 2,-0.6 -0.988 36.1-116.9-153.0 155.6 15.9 -0.8 7.6 18 24 A K E +DE 10 27B 82 -8,-3.2 -9,-2.9 -2,-0.3 -8,-1.9 -0.836 43.0 173.3 -98.0 117.5 18.2 -3.5 6.2 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.7 -2,-0.6 2,-0.6 -0.893 35.3-122.6-120.6 153.2 16.1 -6.0 4.2 20 26 A M E +DE 7 25B 79 -13,-3.1 -13,-1.7 -2,-0.3 2,-0.4 -0.915 36.0 177.9 -93.2 124.6 16.9 -9.0 2.0 21 27 A Y E > - E 0 24B 21 3,-2.8 3,-2.0 -2,-0.6 -15,-0.1 -0.989 68.7 -8.1-136.8 125.0 15.4 -8.4 -1.4 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.831 131.4 -58.2 51.3 36.1 15.8 -10.8 -4.3 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.508 117.0 105.7 76.7 12.4 18.3 -12.6 -2.0 24 30 A Q E < S-E 21 0B 125 -3,-2.0 -3,-2.8 -5,-0.0 2,-0.3 -0.928 72.5-114.5-125.3 142.6 20.6 -9.7 -1.5 25 31 A P E +E 20 0B 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.560 43.0 166.3 -73.2 134.2 21.1 -7.5 1.5 26 32 A M E -E 19 0B 41 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.5 -0.993 37.0-126.2-142.7 145.9 20.1 -3.8 0.9 27 33 A T E -E 18 0B 46 -2,-0.3 49,-2.5 47,-0.2 2,-0.4 -0.773 32.5-155.0 -83.2 125.2 19.4 -0.8 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-1.8 -2,-0.5 2,-0.5 -0.896 7.9-157.1-101.8 140.2 16.0 0.6 2.3 29 35 A R E -Ef 16 77B 21 47,-3.4 49,-1.4 -2,-0.4 -13,-0.2 -0.967 28.4-114.0-110.2 132.3 14.9 4.2 2.8 30 36 A L E > - f 0 78B 3 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.379 31.7-120.6 -69.6 123.2 11.1 4.8 3.1 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 1,-0.2 -1,-0.1 -0.372 84.4 6.4 -59.8 138.3 9.7 6.8 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.6 74,-0.1 2,-0.3 0.470 108.7 89.4 75.5 12.7 7.9 10.2 0.9 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.880 51.7-159.4-134.2 163.1 8.7 10.5 4.6 34 40 A D E -H 98 0C 53 64,-1.6 64,-2.1 -2,-0.3 3,-0.0 -0.914 9.5-167.2-142.1 121.8 11.3 11.8 7.0 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.687 36.1 -96.0 -92.5 159.3 11.7 10.7 10.5 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.348 47.4-101.7 -63.3 154.5 13.8 12.5 13.1 37 43 A E > - 0 0 90 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.380 37.9-102.8 -72.7 156.7 17.4 11.1 13.4 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.797 122.8 53.8 -53.6 -31.4 17.8 9.0 16.5 39 51 A N T 3 S+ 0 0 136 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.466 100.2 78.7 -82.8 -0.3 19.6 11.8 18.3 40 52 A E S X S- 0 0 95 -3,-2.4 3,-2.2 1,-0.1 2,-0.0 -0.604 99.3 -71.6-107.3 164.5 16.7 14.3 17.7 41 53 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.349 122.1 9.9 -55.4 134.1 13.4 14.7 19.4 42 54 A Y T 3> S+ 0 0 38 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.343 98.4 114.9 72.7 -2.0 11.0 11.8 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.2 5,-0.2 0.945 76.6 43.2 -60.0 -50.8 13.9 10.0 16.9 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.883 113.5 52.9 -67.0 -35.4 14.0 7.2 19.4 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 110.9 46.8 -62.3 -42.5 10.2 6.9 19.3 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.922 111.8 50.6 -64.5 -46.0 10.3 6.7 15.5 47 59 A S H X S+ 0 0 16 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 47.1 -57.3 -44.2 13.0 4.1 15.5 48 60 A A H X S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.880 110.6 52.3 -66.5 -34.5 11.1 2.0 18.0 49 61 A F H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.945 113.9 41.5 -65.6 -49.9 7.8 2.3 16.0 50 62 A T H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.891 113.4 53.9 -66.3 -42.7 9.4 1.1 12.8 51 63 A K H X S+ 0 0 98 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.930 111.3 45.4 -56.4 -48.9 11.4 -1.6 14.6 52 64 A K H X S+ 0 0 138 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.948 113.1 50.9 -63.2 -43.6 8.3 -3.1 16.2 53 65 A M H X S+ 0 0 29 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.930 117.3 36.7 -60.3 -47.5 6.4 -2.9 13.1 54 66 A V H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 117.8 49.5 -79.5 -32.6 9.0 -4.7 10.9 55 67 A E H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.788 112.1 48.1 -75.7 -31.5 10.2 -7.2 13.6 56 68 A N H < S+ 0 0 106 -4,-2.1 2,-0.2 -5,-0.3 -2,-0.2 0.655 89.3 108.7 -86.8 -11.4 6.6 -8.4 14.5 57 69 A A < - 0 0 19 -4,-0.7 3,-0.2 -5,-0.2 -3,-0.0 -0.430 55.0-159.2 -70.7 138.4 5.5 -8.8 10.9 58 70 A K S S+ 0 0 202 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.845 87.9 29.3 -74.5 -35.6 5.0 -12.3 9.6 59 71 A K - 0 0 115 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.982 66.7-168.5-135.4 123.6 5.4 -10.9 6.1 60 72 A I E -AB 6 82A 12 -54,-0.6 -54,-1.6 -2,-0.4 2,-0.3 -0.881 14.3-178.3-105.2 137.3 7.5 -7.9 4.9 61 73 A E E -AB 5 81A 30 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.981 16.0-146.4-132.3 156.1 7.0 -6.6 1.3 62 74 A V E -AB 4 80A 0 -58,-2.7 -58,-2.2 -2,-0.3 2,-0.5 -0.933 7.4-165.4-117.4 143.7 8.5 -3.9 -0.7 63 75 A E E -AB 3 79A 14 16,-2.7 16,-2.6 -2,-0.4 -60,-0.2 -0.937 9.1-154.5-129.9 111.6 6.7 -1.8 -3.3 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.444 14.3-131.4 -77.9 152.7 8.8 0.3 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.149 36.1 -88.3 -85.8-165.2 7.3 3.4 -7.2 66 78 A K S S+ 0 0 176 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.554 105.0 41.8 -85.0 -8.4 7.4 4.2 -11.0 67 79 A G S S+ 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.054 105.2 3.6-111.9-142.9 10.8 6.1 -10.9 68 80 A Q - 0 0 128 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.167 47.9-168.8 -47.8 132.2 14.3 5.7 -9.2 69 81 A R S S+ 0 0 112 1,-0.1 8,-2.5 -3,-0.1 2,-0.3 0.585 72.5 35.5-102.2 -14.1 14.6 2.5 -7.2 70 82 A T B S-G 76 0B 69 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.976 76.4-135.3-134.4 148.1 17.8 3.4 -5.5 71 83 A D > - 0 0 23 4,-2.4 3,-2.2 -2,-0.3 -2,-0.1 -0.328 42.3 -84.7 -91.6-175.0 19.1 6.7 -4.2 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.612 128.8 55.0 -68.1 -15.0 22.6 8.3 -4.6 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.343 120.3-106.0 -93.6 1.8 23.7 6.3 -1.5 74 86 A G S < S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.3 -47,-0.2 0.571 72.8 144.7 80.9 9.7 22.7 2.9 -3.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.639 54.3-115.0 -81.4 139.2 19.6 2.7 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.4 -2,-0.3 2,-0.6 -0.439 24.4-145.1 -63.7 140.1 16.5 1.1 -2.0 77 89 A L E +f 29 0B 19 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.958 42.4 126.6-114.1 113.3 13.6 3.5 -2.3 78 90 A A E -f 30 0B 1 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.972 63.2-102.0-152.4 170.1 10.3 1.9 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.6 -16,-2.7 -2,-0.3 2,-0.4 -0.857 43.6-148.7 -94.6 127.0 7.0 1.7 0.4 80 92 A I E -B 62 0A 5 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.912 9.7-160.6-104.4 132.4 7.5 -1.0 3.0 81 93 A Y E -BC 61 86A 17 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.5 -0.921 7.6-162.9-117.1 137.1 4.5 -3.2 4.1 82 94 A A E > S-BC 60 85A 9 3,-2.9 3,-2.1 -2,-0.4 -22,-0.2 -0.971 83.9 -24.7-119.7 114.6 4.3 -5.2 7.3 83 95 A D T 3 S- 0 0 86 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.912 129.8 -49.9 43.8 49.4 1.5 -7.8 7.2 84 96 A G T 3 S+ 0 0 41 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.357 114.9 115.5 80.2 -10.9 -0.1 -5.6 4.6 85 97 A K E < -C 82 0A 122 -3,-2.1 -3,-2.9 4,-0.0 2,-0.4 -0.855 68.4-122.6 -92.4 130.0 0.1 -2.3 6.6 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.547 13.2-157.6 -74.9 123.3 2.3 0.4 5.0 87 99 A V H > S+ 0 0 1 -7,-3.3 4,-2.6 -2,-0.4 5,-0.2 0.895 92.5 57.5 -64.1 -41.6 5.0 1.5 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.917 111.6 41.4 -55.1 -51.4 5.4 4.8 5.6 89 101 A E H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 112.4 54.8 -64.4 -44.9 1.7 5.7 6.2 90 102 A A H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.885 106.7 50.5 -57.1 -44.9 1.7 4.4 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 6,-0.7 0.934 113.7 44.7 -58.9 -48.4 4.7 6.6 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.906 109.2 55.7 -64.6 -38.3 3.0 9.7 9.3 93 105 A R H 3<5S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.3 48.9 -67.6 -28.9 -0.4 8.8 10.9 94 106 A Q T 3<5S- 0 0 72 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 115.0-115.1 -88.4 5.1 1.3 8.6 14.3 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.5 -4,-0.2 -3,-0.2 0.772 86.7 115.4 64.9 28.7 3.1 12.0 13.9 96 108 A L S - 0 0 139 -2,-1.3 3,-1.8 3,-0.4 -3,-0.0 -0.772 34.0-100.3 -96.1 145.5 10.1 13.9 -6.0 104 116 A K T 3 S+ 0 0 174 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.226 107.8 23.3 -59.9 139.0 8.2 13.9 -9.3 105 117 A G T 3 S+ 0 0 39 -38,-0.1 -1,-0.2 1,-0.1 -39,-0.2 0.384 116.7 64.1 81.3 -11.2 7.7 10.4 -10.7 106 118 A N S < S+ 0 0 11 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.371 76.0 96.0-126.0 61.1 8.1 8.6 -7.4 107 119 A N > + 0 0 58 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.073 31.9 130.0-134.2 32.9 5.0 10.1 -5.7 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.876 81.3 38.7 -59.9 -42.0 2.2 7.6 -6.1 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.172 81.9 113.8 -96.6 17.9 1.2 7.5 -2.4 110 122 A E H <> S+ 0 0 40 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.944 78.0 44.2 -51.2 -55.7 1.6 11.2 -1.8 111 123 A Q H > S+ 0 0 126 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.837 111.2 55.1 -69.3 -28.8 -2.0 12.1 -1.2 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 113.3 42.8 -58.3 -49.3 -2.6 9.0 1.0 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.894 110.5 54.6 -69.6 -39.2 0.3 10.1 3.2 114 126 A R H X S+ 0 0 93 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.913 106.6 52.4 -63.4 -29.9 -0.7 13.8 3.2 115 127 A K H X S+ 0 0 153 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.944 109.6 49.2 -69.0 -37.2 -4.2 12.7 4.5 116 128 A A H X S+ 0 0 8 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.872 109.9 51.6 -64.2 -46.0 -2.5 10.8 7.3 117 129 A E H X S+ 0 0 26 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.927 106.4 53.6 -58.0 -42.1 -0.4 13.8 8.2 118 130 A A H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.926 110.1 47.9 -60.6 -39.6 -3.4 16.0 8.4 119 131 A Q H X S+ 0 0 74 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.918 111.7 48.6 -71.9 -38.4 -5.0 13.7 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.4 0.892 111.5 51.1 -63.3 -40.1 -1.9 13.4 13.0 121 133 A K H ><5S+ 0 0 94 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.907 107.9 52.2 -65.7 -35.7 -1.6 17.2 13.0 122 134 A K H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.5 47.0 -64.9 -36.2 -5.3 17.5 14.0 123 135 A E T 3<5S- 0 0 85 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.496 107.2-128.1 -81.7 -3.4 -4.6 15.1 17.0 124 136 A K T < 5 - 0 0 139 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.872 43.9-180.0 53.5 42.4 -1.4 17.0 17.9 125 137 A L > < - 0 0 42 -5,-2.3 3,-2.7 3,-0.2 2,-0.3 -0.614 43.9 -57.9 -81.4 129.3 0.4 13.8 17.9 126 138 A N G > S+ 0 0 49 -2,-0.5 3,-2.0 1,-0.3 -30,-0.2 -0.263 134.6 26.9 56.1-107.4 4.1 13.6 18.7 127 139 A I G 3 S+ 0 0 41 -32,-2.5 -1,-0.3 -2,-0.3 -31,-0.1 0.831 127.1 51.9 -57.5 -31.7 6.0 15.9 16.3 128 140 A W G < 0 0 52 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.400 360.0 360.0 -86.0 1.9 2.8 17.9 16.0 129 141 A S < 0 0 100 -3,-2.0 -4,-0.1 -34,-0.2 -5,-0.1 -0.328 360.0 360.0 -82.3 360.0 2.4 18.3 19.8