==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-13 4KJO . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7170.0 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 . 6 4.7 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 77 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 170.6 2.4 -0.4 -8.4 2 8 A H - 0 0 118 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.998 360.0-113.8-154.8 153.2 2.9 -3.8 -6.8 3 9 A K E -A 63 0A 88 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.545 26.9-169.3 -87.6 134.7 4.2 -5.4 -3.7 4 10 A E E -A 62 0A 21 58,-2.7 58,-2.9 -2,-0.3 2,-0.0 -0.929 28.5-100.4-121.9 153.7 7.2 -7.7 -3.7 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.317 44.3 158.7 -73.1 154.7 8.5 -9.9 -1.0 6 12 A A E -A 60 0A 10 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.955 27.9-134.6-162.3 157.9 11.4 -9.1 1.3 7 13 A T E -D 20 0B 87 13,-1.6 13,-2.7 -2,-0.3 2,-0.3 -0.963 29.1-105.7-120.4 144.0 12.6 -10.2 4.8 8 14 A L E +D 19 0B 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.501 35.8 170.3 -59.3 127.2 13.8 -8.0 7.7 9 15 A I E S- 0 0 66 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.776 71.8 -25.4 -94.4 -50.0 17.5 -8.1 8.2 10 16 A K E -D 18 0B 119 8,-1.8 8,-3.6 0, 0.0 2,-0.3 -0.945 53.4-124.2-164.1 136.0 17.6 -5.2 10.7 11 17 A A E -D 17 0B 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.681 30.5-179.7 -78.1 138.8 15.6 -2.1 11.6 12 18 A I - 0 0 86 4,-1.8 2,-0.2 1,-0.4 5,-0.2 0.777 51.7 -41.0-108.5 -66.1 18.0 0.8 11.4 13 19 A D S S- 0 0 19 3,-1.5 -1,-0.4 33,-0.1 3,-0.3 -0.650 81.0 -56.6-144.2-154.6 16.1 4.0 12.4 14 20 A G S S+ 0 0 1 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.849 131.1 17.3 -59.8 -37.7 12.7 5.6 11.8 15 21 A D S S+ 0 0 6 21,-0.1 15,-2.4 20,-0.1 2,-0.4 0.215 114.5 69.8-127.0 14.2 12.8 5.7 8.0 16 22 A T E + E 0 29B 10 -3,-0.3 -4,-1.8 13,-0.2 -3,-1.5 -0.991 50.4 173.9-135.5 137.0 15.5 3.2 7.0 17 23 A V E -DE 11 28B 1 11,-2.1 11,-3.6 -2,-0.4 2,-0.7 -0.997 30.1-128.2-139.5 143.3 15.5 -0.6 7.3 18 24 A K E +DE 10 27B 86 -8,-3.6 -9,-2.8 -2,-0.3 -8,-1.8 -0.858 40.4 172.7 -90.7 122.4 17.9 -3.3 6.1 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.5 -2,-0.7 2,-0.6 -0.900 37.0-122.5-128.4 156.8 16.0 -5.9 4.1 20 26 A M E -DE 7 25B 82 -13,-2.7 -13,-1.6 -2,-0.3 2,-0.4 -0.913 36.5-179.0 -96.0 118.9 16.8 -8.9 2.0 21 27 A Y E > - E 0 24B 18 3,-2.8 3,-2.3 -2,-0.6 -15,-0.1 -0.980 67.1 -11.9-128.5 127.0 15.3 -8.3 -1.4 22 28 A K T 3 S- 0 0 147 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.900 131.6 -55.0 45.4 45.1 15.6 -10.8 -4.2 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.513 118.6 104.5 69.2 10.9 18.1 -12.6 -2.0 24 30 A Q E < S-E 21 0B 125 -3,-2.3 -3,-2.8 2,-0.0 2,-0.2 -0.959 72.7-117.6-123.2 138.7 20.5 -9.6 -1.5 25 31 A P E +E 20 0B 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.525 43.4 165.8 -68.0 138.9 20.9 -7.4 1.6 26 32 A M E -E 19 0B 51 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.4 -0.966 37.4-124.5-153.2 137.2 19.9 -3.7 0.8 27 33 A T E -E 18 0B 46 -2,-0.3 49,-2.5 47,-0.2 2,-0.4 -0.728 31.0-153.5 -79.1 129.2 19.2 -0.6 3.0 28 34 A F E -Ef 17 76B 0 -11,-3.6 -11,-2.1 -2,-0.4 2,-0.5 -0.909 7.1-154.6-106.3 136.8 15.8 0.7 2.1 29 35 A R E -Ef 16 77B 23 47,-4.0 49,-1.5 -2,-0.4 2,-0.4 -0.948 28.3-117.8-108.3 124.8 14.8 4.4 2.6 30 36 A A E > - f 0 78B 2 -15,-2.4 3,-1.1 -2,-0.5 49,-0.2 -0.532 33.5-119.0 -65.3 119.5 11.0 4.9 3.1 31 37 A L T 3 S+ 0 0 11 47,-2.1 49,-0.1 -2,-0.4 -1,-0.1 -0.243 83.8 8.6 -56.5 142.2 9.5 7.0 0.3 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.444 106.7 96.4 74.9 12.4 7.8 10.3 0.9 33 39 A V E < -H 99 0C 0 -3,-1.1 2,-0.4 66,-0.3 66,-0.2 -0.865 51.0-159.6-131.6 164.9 8.7 10.6 4.6 34 40 A D E -H 98 0C 54 64,-2.2 64,-2.0 -2,-0.3 3,-0.0 -0.857 9.9-173.3-142.4 109.8 11.1 12.1 7.0 35 41 A T - 0 0 0 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.670 38.3 -99.5 -88.2 153.2 11.6 10.8 10.5 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.328 45.1 -98.6 -60.4 156.3 13.8 12.7 12.9 37 43 A E > - 0 0 90 1,-0.1 3,-1.9 -24,-0.1 6,-0.2 -0.300 39.5-102.6 -67.3 160.7 17.4 11.4 13.3 38 50 A F T 3 S+ 0 0 131 1,-0.3 -1,-0.1 5,-0.2 5,-0.1 0.817 124.2 53.1 -60.9 -29.4 17.9 9.2 16.4 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.568 98.6 84.4 -84.1 -5.8 19.7 12.1 18.2 40 52 A E S X S- 0 0 99 -3,-1.9 3,-1.8 1,-0.1 2,-0.1 -0.475 98.8 -77.7 -89.6 157.0 16.7 14.5 17.5 41 53 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.409 122.3 9.7 -53.3 133.4 13.4 14.8 19.5 42 54 A Y T 3> S+ 0 0 39 -4,-0.1 4,-2.8 -2,-0.1 -1,-0.3 0.315 98.3 113.1 64.7 -0.3 11.1 11.9 18.6 43 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.3 -6,-0.2 -5,-0.2 0.956 79.5 43.6 -53.4 -53.3 14.0 10.3 16.8 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 113.9 50.3 -62.0 -38.8 14.2 7.5 19.3 45 57 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.872 111.0 51.2 -68.3 -35.6 10.3 7.1 19.3 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.937 109.9 48.0 -64.0 -44.4 10.4 6.9 15.5 47 59 A S H X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 112.9 48.5 -63.1 -45.3 13.1 4.2 15.5 48 60 A A H X S+ 0 0 59 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.845 108.9 53.6 -59.1 -43.8 11.2 2.2 18.1 49 61 A F H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.977 114.7 39.0 -57.4 -54.7 8.0 2.5 16.1 50 62 A T H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.866 114.3 55.3 -64.0 -34.0 9.5 1.2 12.8 51 63 A K H X S+ 0 0 93 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.944 113.1 42.2 -70.3 -38.3 11.6 -1.5 14.7 52 64 A K H X S+ 0 0 143 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 113.8 51.4 -72.8 -40.8 8.5 -2.9 16.3 53 65 A M H X S+ 0 0 30 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.914 118.2 36.3 -61.9 -45.2 6.4 -2.7 13.2 54 66 A T H < S+ 0 0 3 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.891 116.8 50.3 -79.3 -39.4 8.9 -4.5 11.1 55 67 A E H < S+ 0 0 91 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.786 112.7 48.2 -68.4 -28.5 10.1 -7.0 13.6 56 68 A N H < S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.663 89.6 107.2 -83.6 -16.9 6.6 -8.0 14.6 57 69 A A < - 0 0 18 -4,-0.7 3,-0.2 -3,-0.4 -3,-0.0 -0.352 57.1-156.6 -71.0 139.6 5.4 -8.5 11.0 58 70 A K S S+ 0 0 176 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.797 87.2 27.6 -73.1 -30.9 4.8 -11.9 9.6 59 71 A K - 0 0 104 -52,-0.1 24,-3.0 2,-0.0 2,-0.4 -0.985 65.3-165.8-146.3 118.8 5.4 -10.6 6.2 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.900 14.5-178.3-102.4 139.5 7.4 -7.6 4.9 61 73 A E E -AB 5 81A 29 20,-2.0 20,-2.8 -2,-0.4 2,-0.4 -0.957 14.7-147.9-134.5 152.4 6.8 -6.3 1.4 62 74 A V E -AB 4 80A 0 -58,-2.9 -58,-2.7 -2,-0.3 2,-0.4 -0.920 7.4-166.6-118.1 142.9 8.4 -3.5 -0.7 63 75 A E E -AB 3 79A 11 16,-2.0 16,-3.0 -2,-0.4 -60,-0.2 -0.940 8.9-153.7-132.8 116.5 6.7 -1.5 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.479 14.7-130.0 -82.2 159.2 8.6 0.6 -5.7 65 77 A D - 0 0 6 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.126 35.4 -90.1 -93.1-165.7 7.2 3.7 -7.3 66 78 A K S S+ 0 0 180 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.667 104.8 42.6 -89.2 -10.0 7.2 4.5 -11.0 67 79 A G S S+ 0 0 33 38,-0.8 39,-0.1 1,-0.3 38,-0.1 0.227 106.2 3.5-106.9-138.0 10.6 6.4 -11.0 68 80 A Q - 0 0 117 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.256 48.7-170.4 -57.3 129.5 14.0 6.1 -9.4 69 81 A R S S+ 0 0 121 1,-0.2 8,-2.6 -3,-0.1 2,-0.4 0.619 71.4 40.4 -96.5 -20.3 14.4 2.8 -7.3 70 82 A T B S-G 76 0B 72 6,-0.3 6,-0.3 -42,-0.1 -1,-0.2 -0.993 77.1-136.0-130.5 139.2 17.8 3.6 -5.6 71 83 A D > - 0 0 24 4,-3.3 3,-2.0 -2,-0.4 -2,-0.1 -0.183 40.0 -89.5 -85.9-177.4 18.9 6.9 -4.2 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.671 128.0 57.1 -70.1 -15.0 22.4 8.5 -4.6 73 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.111 122.0-104.9 -97.0 15.8 23.5 6.6 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.0 2,-0.3 1,-0.2 -47,-0.2 0.562 75.3 143.5 68.5 12.0 22.6 3.2 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-3.3 -47,-0.1 -1,-0.2 -0.649 53.3-118.4 -78.9 135.8 19.5 3.0 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-4.0 -2,-0.3 2,-0.6 -0.517 22.0-143.0 -68.1 140.3 16.4 1.4 -2.2 77 89 A L E +f 29 0B 20 -8,-2.6 -12,-0.4 -49,-0.2 2,-0.3 -0.934 41.4 125.8-111.9 113.9 13.4 3.7 -2.3 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.1 -2,-0.6 2,-0.5 -0.981 62.5 -97.6-156.8 166.9 10.1 2.1 -1.6 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.0 -2,-0.3 2,-0.5 -0.823 44.5-149.8 -87.1 130.8 6.8 1.9 0.2 80 92 A I E -B 62 0A 4 -2,-0.5 7,-2.7 -18,-0.2 8,-0.7 -0.925 11.0-163.8-114.9 132.9 7.4 -0.7 2.9 81 93 A Y E -BC 61 86A 16 -20,-2.8 -20,-2.0 -2,-0.5 2,-0.5 -0.874 9.4-163.6-119.6 141.1 4.5 -2.8 4.1 82 94 A A E > S-BC 60 85A 7 3,-3.0 3,-1.8 -2,-0.3 -22,-0.2 -0.961 83.0 -22.9-127.0 111.4 4.2 -4.9 7.3 83 95 A D T 3 S- 0 0 86 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.923 130.5 -48.9 48.0 46.1 1.4 -7.5 7.3 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.273 116.3 114.9 88.9 -11.0 -0.3 -5.3 4.6 85 97 A K E < -C 82 0A 106 -3,-1.8 -3,-3.0 1,-0.0 2,-0.5 -0.842 67.7-123.6-100.3 126.5 0.0 -2.0 6.6 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.4 -5,-0.3 -5,-0.3 -0.503 12.9-158.5 -73.8 115.8 2.3 0.7 5.0 87 99 A T H > S+ 0 0 3 -7,-2.7 4,-2.6 -2,-0.5 5,-0.3 0.878 92.1 57.6 -51.6 -45.1 5.0 1.8 7.4 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.951 111.2 41.9 -60.0 -47.1 5.4 5.1 5.6 89 101 A E H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.893 113.2 53.5 -60.7 -44.3 1.7 6.0 6.2 90 102 A A H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.861 106.8 51.2 -65.3 -43.7 1.7 4.7 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 6,-0.8 0.945 114.3 43.7 -55.0 -50.9 4.7 6.8 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.2 -5,-0.3 -2,-0.2 0.936 109.9 56.3 -59.7 -42.6 3.0 9.9 9.3 93 105 A R H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.5 46.2 -62.2 -29.6 -0.3 9.0 10.9 94 106 A Q T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -3,-0.3 33,-0.2 0.295 116.1-113.1 -93.9 6.6 1.3 8.9 14.4 95 107 A G T < 5S+ 0 0 0 -3,-2.2 32,-2.5 2,-0.2 -3,-0.2 0.867 85.9 119.8 62.5 36.5 3.2 12.2 13.9 96 108 A L S - 0 0 155 -2,-1.1 3,-1.7 3,-0.4 -3,-0.0 -0.848 36.3-100.5-104.9 147.0 10.0 14.1 -6.2 104 116 A K T 3 S+ 0 0 201 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 -0.202 107.4 24.7 -67.5 152.1 7.9 13.9 -9.4 105 117 A G T 3 S+ 0 0 41 -38,-0.1 -38,-0.8 1,-0.1 -39,-0.3 0.415 118.7 64.8 75.5 -8.8 7.5 10.4 -10.8 106 118 A N S < S+ 0 0 11 -3,-1.7 -3,-0.4 -40,-0.2 -74,-0.1 -0.261 77.8 87.5-133.2 46.7 8.1 9.0 -7.4 107 119 A N > + 0 0 57 -5,-0.1 3,-2.1 1,-0.1 4,-0.3 0.140 35.9 132.4-136.3 27.1 5.0 10.3 -5.6 108 120 A T T 3 S+ 0 0 77 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.823 82.2 38.7 -46.1 -46.0 2.2 7.8 -6.1 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.152 82.1 115.9-100.2 23.2 1.1 7.8 -2.4 110 122 A E H <> S+ 0 0 48 -3,-2.1 4,-2.9 2,-0.2 5,-0.3 0.954 78.1 41.8 -54.4 -53.5 1.6 11.5 -1.7 111 123 A Q H > S+ 0 0 125 -4,-0.3 4,-3.1 -3,-0.3 5,-0.2 0.969 110.0 56.7 -74.6 -32.7 -2.0 12.5 -1.0 112 124 A L H > S+ 0 0 75 1,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.901 114.2 42.6 -50.8 -44.1 -2.7 9.3 1.1 113 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.867 112.0 52.1 -74.0 -37.0 0.2 10.4 3.3 114 126 A R H X S+ 0 0 94 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.892 107.6 53.3 -62.4 -38.5 -0.7 14.1 3.3 115 127 A K H X S+ 0 0 111 -4,-3.1 4,-1.6 -5,-0.3 -2,-0.2 0.947 110.8 47.5 -62.0 -41.1 -4.2 13.0 4.4 116 128 A A H X S+ 0 0 2 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.890 110.8 51.5 -63.9 -44.9 -2.5 11.0 7.3 117 129 A E H X S+ 0 0 20 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.905 105.3 54.6 -61.4 -43.5 -0.3 14.0 8.2 118 130 A A H X S+ 0 0 40 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.926 110.6 46.9 -55.6 -43.2 -3.3 16.4 8.4 119 131 A Q H X S+ 0 0 63 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.932 111.9 49.7 -64.9 -50.0 -5.0 13.9 10.9 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.913 113.8 46.8 -48.2 -47.3 -1.8 13.6 13.0 121 133 A K H ><5S+ 0 0 80 -4,-2.9 3,-1.2 3,-0.2 -2,-0.2 0.893 110.5 51.2 -68.2 -40.5 -1.5 17.5 13.0 122 134 A K H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.908 112.2 47.7 -61.6 -40.9 -5.2 17.8 14.0 123 135 A E T 3<5S- 0 0 102 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.424 109.7-129.7 -80.4 -0.0 -4.6 15.4 16.8 124 136 A K T < 5 - 0 0 130 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.856 42.3-175.1 53.4 43.6 -1.5 17.4 17.8 125 137 A L > < - 0 0 41 -5,-2.6 3,-3.3 -6,-0.1 -1,-0.2 -0.536 40.8 -61.8 -84.4 133.7 0.6 14.1 17.8 126 138 A N G > S+ 0 0 55 1,-0.3 3,-1.6 -2,-0.3 -30,-0.2 -0.083 136.6 32.3 44.4-103.2 4.2 13.8 18.8 127 139 A I G 3 S+ 0 0 38 -32,-2.5 -1,-0.3 1,-0.3 2,-0.1 0.870 117.2 62.8 -47.9 -39.9 6.0 16.0 16.2 128 140 A W G < 0 0 49 -3,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.069 360.0 360.0 -82.3 28.3 2.9 18.3 16.2 129 141 A S < 0 0 115 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 0.626 360.0 360.0-118.5 360.0 2.9 19.5 19.8