==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-13 4KV6 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,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) . 7361.0 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 61 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 160.9 2.4 -0.3 -8.2 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.979 360.0-130.9-129.0 139.2 3.2 -3.8 -7.0 3 9 A K E -A 63 0A 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.640 26.5-170.2 -86.1 138.6 4.2 -5.2 -3.6 4 10 A E E -A 62 0A 42 58,-2.5 58,-2.9 -2,-0.3 -2,-0.0 -0.945 25.8 -99.6-126.0 150.9 7.2 -7.5 -3.6 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.299 44.1 158.4 -71.3 151.9 8.5 -9.7 -0.8 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.948 26.6-136.6-157.2 163.3 11.4 -8.8 1.5 7 13 A T E -D 20 0B 79 13,-1.7 13,-3.2 -2,-0.3 2,-0.3 -0.969 28.7-104.2-125.1 151.1 12.6 -9.9 4.9 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.522 34.6 169.7 -69.9 132.0 13.9 -7.8 7.7 9 15 A I E - 0 0 67 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.799 69.1 -25.2 -98.6 -54.2 17.6 -7.8 8.3 10 16 A K E -D 18 0B 129 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.966 53.5-119.6-161.5 137.5 17.8 -4.9 10.8 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.445 31.9 173.3 -65.4 146.8 15.9 -1.8 11.9 12 18 A I - 0 0 84 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.567 50.9 -40.4-120.9 -67.4 18.1 1.3 11.6 13 19 A D S S- 0 0 22 3,-2.1 -1,-0.5 33,-0.1 3,-0.5 -0.774 75.5 -62.0-146.5-160.0 16.1 4.5 12.3 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.823 130.4 17.8 -62.6 -34.2 12.7 6.1 11.7 15 21 A D S S+ 0 0 4 20,-0.1 15,-2.5 21,-0.1 2,-0.3 0.283 116.1 68.2-127.5 12.5 12.9 6.2 7.9 16 22 A T E + E 0 29B 13 -3,-0.5 -3,-2.1 13,-0.2 -4,-1.1 -0.984 51.2 170.8-132.2 143.2 15.6 3.7 7.0 17 23 A V E -DE 11 28B 2 11,-1.8 11,-3.4 -2,-0.3 2,-0.6 -0.988 30.6-126.8-147.0 142.7 15.6 -0.1 7.4 18 24 A K E +DE 10 27B 73 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.842 39.0 169.8 -96.9 120.7 17.9 -2.9 6.2 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.4 -2,-0.6 2,-0.6 -0.909 38.4-120.5-127.0 152.7 16.0 -5.6 4.3 20 26 A M E +DE 7 25B 81 -13,-3.2 -13,-1.7 -2,-0.3 2,-0.4 -0.898 37.4 179.9 -92.1 122.6 16.8 -8.6 2.2 21 27 A Y E > - E 0 24B 20 3,-2.8 3,-2.1 -2,-0.6 -15,-0.1 -0.985 68.3 -9.6-132.5 126.9 15.3 -8.0 -1.3 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.842 131.4 -57.5 47.2 39.3 15.7 -10.5 -4.1 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.499 117.5 107.8 82.0 3.0 18.1 -12.2 -1.8 24 30 A Q E < S-E 21 0B 123 -3,-2.1 -3,-2.8 -5,-0.0 2,-0.2 -0.914 72.1-115.3-121.0 141.6 20.5 -9.2 -1.4 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.528 43.8 167.5 -76.6 131.1 21.0 -7.0 1.6 26 32 A M E -E 19 0B 43 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.5 -0.996 36.3-129.5-142.5 144.8 19.9 -3.4 1.0 27 33 A T E -E 18 0B 49 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.850 29.8-155.6 -86.6 128.2 19.2 -0.3 3.0 28 34 A F E -Ef 17 76B 0 -11,-3.4 -11,-1.8 -2,-0.5 2,-0.5 -0.877 7.2-155.8-105.6 135.0 15.8 1.1 2.2 29 35 A R E -Ef 16 77B 20 47,-3.4 49,-1.3 -2,-0.4 -13,-0.2 -0.956 29.9-115.9-103.1 127.2 14.9 4.8 2.6 30 36 A L E > - f 0 78B 4 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.434 31.0-119.0 -68.9 126.9 11.2 5.3 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.5 49,-0.1 1,-0.2 -1,-0.1 -0.366 84.6 7.0 -61.2 145.3 9.6 7.4 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.493 107.6 92.0 69.9 11.5 7.8 10.7 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.897 50.6-160.1-134.2 162.7 8.7 11.0 4.5 34 40 A D E -H 98 0C 53 64,-1.7 64,-2.2 -2,-0.3 3,-0.0 -0.911 10.1-169.7-141.4 117.4 11.3 12.5 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.749 37.2 -97.1 -93.4 151.9 11.7 11.4 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.307 47.0-100.1 -62.2 145.1 13.9 13.3 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.344 38.5-104.3 -61.2 153.3 17.5 12.0 13.2 38 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.845 123.4 55.0 -51.9 -38.0 17.9 9.9 16.3 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.601 100.2 79.7 -74.4 -11.5 19.8 12.7 17.9 40 52 A E S X S- 0 0 98 -3,-2.3 3,-2.1 1,-0.1 2,-0.1 -0.474 98.9 -74.2 -94.2 164.6 16.8 15.1 17.3 41 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.397 121.1 9.7 -59.5 136.4 13.5 15.6 19.1 42 54 A Y T 3> S+ 0 0 45 -4,-0.1 4,-2.7 -2,-0.1 -1,-0.3 0.323 99.7 112.4 68.4 -1.6 11.1 12.7 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.8 -6,-0.3 5,-0.3 0.971 76.0 45.4 -64.4 -51.9 14.0 10.8 16.6 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 113.4 50.9 -57.3 -40.7 14.2 8.1 19.1 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 111.1 48.8 -63.9 -40.7 10.4 7.7 19.1 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.926 111.1 50.0 -61.9 -46.7 10.4 7.5 15.4 47 59 A S H X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.914 112.9 46.9 -53.1 -49.0 13.1 4.9 15.4 48 60 A A H X S+ 0 0 54 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.850 109.9 53.2 -63.7 -34.4 11.3 2.9 18.0 49 61 A F H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.945 113.4 41.5 -68.7 -49.1 8.0 3.1 16.1 50 62 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.913 113.3 54.3 -62.5 -42.9 9.5 1.9 12.8 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.938 110.4 46.4 -59.5 -50.2 11.6 -0.8 14.6 52 64 A K H X S+ 0 0 139 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.928 111.8 51.0 -60.6 -41.8 8.5 -2.2 16.3 53 65 A M H X S+ 0 0 35 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.913 116.6 38.3 -63.1 -43.1 6.4 -2.2 13.2 54 66 A V H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.5 50.3 -81.3 -33.2 9.0 -4.1 11.1 55 67 A E H < S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.802 112.3 47.8 -71.8 -35.0 10.2 -6.5 13.8 56 68 A N H < S+ 0 0 102 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.653 90.3 106.3 -80.6 -15.6 6.6 -7.5 14.7 57 69 A A < - 0 0 17 -4,-0.7 3,-0.2 -5,-0.2 -3,-0.0 -0.409 53.3-162.3 -68.8 140.6 5.6 -8.1 11.1 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.785 86.5 33.7 -79.7 -34.6 5.1 -11.6 9.8 59 71 A K - 0 0 104 -52,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.969 67.2-169.0-132.1 115.4 5.3 -10.2 6.3 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.852 13.3-172.9 -96.4 137.8 7.4 -7.3 5.0 61 73 A E E -AB 5 81A 30 20,-2.2 20,-2.8 -2,-0.4 2,-0.4 -0.983 14.8-148.3-130.5 149.8 6.8 -6.0 1.6 62 74 A V E -AB 4 80A 0 -58,-2.9 -58,-2.5 -2,-0.4 2,-0.5 -0.926 9.8-170.8-109.0 136.5 8.5 -3.5 -0.6 63 75 A E E -AB 3 79A 13 16,-2.7 16,-2.9 -2,-0.4 -60,-0.2 -0.938 9.0-156.9-131.0 109.3 6.7 -1.4 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.464 13.0-134.7 -77.1 150.2 8.7 0.7 -5.6 65 77 A D - 0 0 4 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.202 36.1 -87.1 -86.9-166.0 7.2 3.7 -7.3 66 78 A K S S+ 0 0 156 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.597 103.7 44.1 -84.2 -18.1 7.4 4.5 -10.9 67 79 A G S S+ 0 0 32 38,-0.5 39,-0.1 1,-0.3 38,-0.1 0.187 104.5 1.4-101.8-143.2 10.7 6.4 -10.9 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.229 47.6-168.3 -51.0 131.3 14.1 6.1 -9.3 69 81 A R S S+ 0 0 127 1,-0.1 8,-2.3 -3,-0.1 2,-0.3 0.533 72.5 35.4-101.0 -13.3 14.5 2.9 -7.2 70 82 A T B S-G 76 0B 70 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.983 75.0-136.1-136.6 148.4 17.8 3.9 -5.6 71 83 A D > - 0 0 24 4,-2.4 3,-1.9 -2,-0.3 -2,-0.0 -0.361 42.6 -85.6 -93.4-175.1 19.1 7.2 -4.3 72 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.615 128.6 55.0 -69.2 -11.1 22.6 8.6 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.286 120.5-106.8 -96.8 -1.9 23.8 6.7 -1.6 74 86 A G S < S+ 0 0 51 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.604 72.4 144.4 88.6 2.8 22.6 3.4 -3.0 75 87 A R - 0 0 65 -49,-0.1 -4,-2.4 -47,-0.1 -1,-0.3 -0.657 54.0-114.6 -73.8 139.5 19.6 3.2 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.4 -2,-0.3 2,-0.6 -0.463 22.8-144.4 -66.8 147.4 16.5 1.6 -2.1 77 89 A L E +f 29 0B 20 -8,-2.3 -12,-0.4 -49,-0.2 2,-0.3 -0.944 43.5 123.7-116.5 116.3 13.6 4.0 -2.4 78 90 A A E -f 30 0B 0 -49,-1.3 -47,-2.5 -2,-0.6 2,-0.5 -0.956 62.9 -99.4-158.4 166.5 10.2 2.3 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.7 -2,-0.3 2,-0.4 -0.886 42.9-149.6 -91.2 134.9 7.0 2.2 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.907 10.1-162.6-113.4 134.6 7.4 -0.5 3.0 81 93 A Y E -BC 61 86A 17 -20,-2.8 -20,-2.2 -2,-0.4 2,-0.5 -0.916 8.6-161.7-123.2 142.3 4.5 -2.5 4.4 82 94 A A E > S-BC 60 85A 6 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.971 83.3 -23.3-124.7 110.9 4.3 -4.5 7.5 83 95 A D T 3 S- 0 0 77 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.919 130.5 -49.3 47.0 46.6 1.5 -7.1 7.5 84 96 A G T 3 S+ 0 0 38 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.335 115.4 114.1 83.5 -5.6 -0.2 -5.0 4.9 85 97 A K E < -C 82 0A 149 -3,-1.9 -3,-2.9 3,-0.0 2,-0.5 -0.852 68.8-121.5-102.5 132.3 0.1 -1.6 6.7 86 98 A M E > -C 81 0A 8 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.543 13.5-158.7 -77.1 121.1 2.3 1.0 5.1 87 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.5 -2,-0.5 5,-0.2 0.907 91.7 58.2 -63.5 -42.8 5.1 2.1 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.936 111.6 40.5 -51.4 -55.2 5.5 5.4 5.6 89 101 A E H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.874 111.7 55.6 -60.2 -44.1 1.9 6.4 6.2 90 102 A A H X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.2 6,-0.2 0.893 106.4 51.1 -63.2 -40.1 1.8 5.1 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.8 0.931 112.9 45.4 -58.6 -47.7 4.7 7.3 10.6 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.2 -2,-0.2 0.938 110.7 54.1 -64.3 -44.0 3.0 10.4 9.1 93 105 A R H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.8 49.4 -63.6 -27.9 -0.3 9.6 10.7 94 106 A Q T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.340 114.3-114.8 -92.5 7.2 1.3 9.4 14.1 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.5 2,-0.2 -3,-0.2 0.773 87.1 115.3 67.2 27.5 3.1 12.7 13.8 96 108 A L S - 0 0 152 -2,-1.2 3,-2.1 3,-0.4 -3,-0.0 -0.819 36.7-101.0-102.7 138.5 9.9 14.2 -6.3 104 116 A K T 3 S+ 0 0 206 -2,-0.4 -1,-0.1 1,-0.2 4,-0.0 -0.229 107.3 23.4 -58.8 139.8 7.8 14.0 -9.5 105 117 A G T 3 S+ 0 0 33 -38,-0.1 -38,-0.5 1,-0.1 -39,-0.3 0.372 117.3 64.0 82.0 -10.4 7.4 10.4 -10.7 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.302 79.3 90.6-125.2 57.7 8.0 8.9 -7.3 107 119 A N > + 0 0 50 -5,-0.1 3,-1.9 1,-0.1 4,-0.4 0.053 35.4 128.8-137.9 29.2 5.0 10.5 -5.7 108 120 A T T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.886 82.8 39.3 -59.0 -42.3 2.2 7.9 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.166 82.8 112.0 -96.3 21.6 1.1 8.0 -2.5 110 122 A E H <> S+ 0 0 49 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 0.932 78.5 44.8 -61.6 -49.9 1.6 11.7 -1.9 111 123 A Q H > S+ 0 0 158 -3,-0.4 4,-2.2 -4,-0.4 -1,-0.2 0.909 111.7 53.3 -65.2 -40.3 -2.0 12.5 -1.5 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 113.8 43.5 -53.7 -49.7 -2.6 9.6 0.9 113 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.895 109.1 55.2 -71.5 -33.2 0.3 10.7 3.0 114 126 A Q H X S+ 0 0 81 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.895 107.8 52.1 -64.6 -35.4 -0.7 14.4 3.0 115 127 A K H X S+ 0 0 152 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.944 108.5 49.6 -66.4 -40.8 -4.1 13.3 4.3 116 128 A A H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.878 110.3 51.5 -61.6 -43.9 -2.4 11.4 7.1 117 129 A E H X S+ 0 0 33 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.919 106.1 53.5 -60.4 -41.5 -0.3 14.4 8.0 118 130 A A H X S+ 0 0 41 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.945 110.5 47.3 -63.7 -38.7 -3.3 16.7 8.1 119 131 A Q H X S+ 0 0 65 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.945 111.3 50.6 -69.6 -41.8 -5.0 14.4 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.5 0.889 112.6 47.9 -58.0 -38.7 -1.8 14.1 12.7 121 133 A K H ><5S+ 0 0 101 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.923 108.6 52.1 -71.8 -39.4 -1.6 17.9 12.7 122 134 A K H 3<5S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.897 111.8 48.6 -63.3 -36.1 -5.2 18.3 13.7 123 135 A E T 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.575 108.2-129.4 -77.9 -8.5 -4.6 15.9 16.6 124 136 A K T < 5 + 0 0 150 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.880 44.0 178.5 58.0 43.4 -1.5 17.8 17.6 125 137 A L > < - 0 0 42 -5,-2.4 3,-2.6 -6,-0.1 2,-0.2 -0.624 45.0 -57.1 -87.0 127.9 0.5 14.5 17.6 126 138 A N G > S+ 0 0 52 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.182 134.9 27.6 55.3-109.4 4.2 14.4 18.4 127 139 A I G 3 S+ 0 0 42 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.837 125.9 52.2 -52.6 -33.3 6.0 16.7 15.9 128 140 A W G < 0 0 51 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.2 0.176 360.0 360.0 -91.3 18.0 2.8 18.8 15.7 129 141 A S < 0 0 101 -3,-2.1 -4,-0.1 -4,-0.2 -5,-0.1 -0.326 360.0 360.0-100.5 360.0 2.5 19.2 19.5