==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-07 2PZT . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,C.ABE,E.B.GARCIA-MORENO . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 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 . 34 26.2 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.5 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+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 . 2 2 0 2 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 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 0 105 0, 0.0 2,-0.4 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0 151.1 1.2 -37.2 -21.6 2 8 A H - 0 0 119 64,-0.3 64,-0.5 65,-0.1 2,-0.3 -0.979 360.0-125.5-134.3 146.5 4.4 -38.4 -20.0 3 9 A K E -A 65 0A 87 -2,-0.4 62,-0.2 62,-0.2 79,-0.1 -0.682 24.7-165.5 -87.0 137.1 6.9 -37.1 -17.5 4 10 A E E -A 64 0A 28 60,-2.3 60,-2.6 -2,-0.3 2,-0.0 -0.918 25.6-104.5-122.2 147.8 10.5 -37.0 -18.5 5 11 A P E +A 63 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.329 42.7 169.2 -69.6 153.7 13.5 -36.4 -16.1 6 12 A A E -A 62 0A 16 56,-1.6 56,-0.8 15,-0.1 2,-0.4 -0.963 26.6-131.8-157.0 162.7 15.3 -33.1 -16.0 7 13 A T E -B 20 0A 92 13,-1.9 13,-2.8 -2,-0.3 2,-0.2 -0.990 26.1-118.2-125.2 132.0 17.9 -31.3 -13.9 8 14 A L E +B 19 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.463 34.6 169.5 -68.0 130.4 17.5 -27.8 -12.6 9 15 A I E - 0 0 73 9,-2.9 2,-0.3 1,-0.2 10,-0.2 0.759 67.7 -15.9-103.4 -50.6 20.3 -25.6 -14.0 10 16 A K E -B 18 0A 131 8,-2.0 8,-3.0 46,-0.0 -1,-0.2 -0.927 53.6-129.9-162.5 131.0 18.9 -22.3 -12.9 11 17 A A E +B 17 0A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.581 27.3 176.9 -74.0 139.6 15.7 -20.7 -11.6 12 18 A I - 0 0 81 4,-1.2 2,-0.3 1,-0.5 5,-0.2 0.748 52.2 -53.9-111.2 -59.4 15.0 -17.6 -13.7 13 19 A D S S- 0 0 30 3,-2.0 -1,-0.5 35,-0.1 3,-0.2 -0.854 72.0 -56.1-160.6-161.7 11.7 -16.3 -12.4 14 20 A G S S+ 0 0 1 22,-0.3 79,-0.1 -2,-0.3 23,-0.1 0.941 129.7 26.4 -57.4 -50.5 8.1 -17.2 -11.8 15 21 A D S S+ 0 0 17 21,-0.2 15,-2.7 20,-0.1 2,-0.3 0.459 118.1 58.3 -97.0 1.8 7.2 -18.4 -15.3 16 22 A T E + C 0 29A 10 -3,-0.2 -3,-2.0 13,-0.2 -4,-1.2 -0.967 51.5 170.5-135.5 147.1 10.6 -19.5 -16.6 17 23 A V E -BC 11 28A 0 11,-1.9 11,-3.2 -2,-0.3 2,-0.6 -0.992 28.1-128.4-151.9 146.5 13.3 -22.0 -15.6 18 24 A K E +BC 10 27A 74 -8,-3.0 -9,-2.9 -2,-0.3 -8,-2.0 -0.891 35.3 174.4-102.8 125.1 16.5 -23.4 -17.1 19 25 A L E -BC 8 26A 1 7,-2.9 7,-2.1 -2,-0.6 2,-0.7 -0.867 38.4-121.6-127.4 157.5 16.8 -27.1 -17.1 20 26 A M E -BC 7 25A 71 -13,-2.8 -13,-1.9 -2,-0.3 2,-0.4 -0.912 41.6-179.9 -95.0 119.4 19.1 -29.8 -18.5 21 27 A Y E > - C 0 24A 25 3,-2.7 3,-1.6 -2,-0.7 -15,-0.1 -0.991 65.3 -11.5-127.3 125.0 16.8 -31.8 -20.7 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.892 131.4 -54.7 54.0 38.5 17.9 -34.9 -22.6 23 29 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.561 120.2 97.5 75.9 8.8 21.5 -33.8 -21.8 24 30 A Q E < S-C 21 0A 137 -3,-1.6 -3,-2.7 -5,-0.0 -1,-0.2 -0.990 77.2-110.4-132.4 139.7 21.2 -30.3 -23.2 25 31 A P E +C 20 0A 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.391 46.0 167.5 -64.9 142.8 20.5 -26.9 -21.4 26 32 A M E -C 19 0A 46 -7,-2.1 -7,-2.9 -2,-0.1 2,-0.4 -0.986 33.0-126.7-156.7 147.2 17.2 -25.5 -22.4 27 33 A T E -C 18 0A 37 49,-0.3 51,-2.5 -2,-0.3 2,-0.4 -0.823 25.9-157.0-100.2 135.3 14.9 -22.8 -21.1 28 34 A F E -Cd 17 78A 0 -11,-3.2 -11,-1.9 -2,-0.4 2,-0.6 -0.926 10.1-153.2-117.1 140.8 11.3 -23.7 -20.3 29 35 A R E -Cd 16 79A 39 49,-3.0 51,-1.2 -2,-0.4 -13,-0.2 -0.944 31.7-117.9-107.5 118.5 8.2 -21.5 -20.1 30 36 A L E > - d 0 80A 1 -15,-2.7 3,-1.0 -2,-0.6 51,-0.2 -0.373 33.1-116.8 -60.8 124.4 5.6 -22.9 -17.7 31 37 A L T 3 S+ 0 0 8 49,-2.4 51,-0.1 1,-0.2 -1,-0.1 -0.256 83.2 1.5 -62.6 145.5 2.4 -23.7 -19.5 32 38 A L T 3 S+ 0 0 12 71,-0.2 70,-2.0 76,-0.1 2,-0.4 0.528 101.4 108.6 57.1 14.6 -0.9 -22.0 -18.7 33 39 A V E < -H 101 0B 1 -3,-1.0 2,-0.5 68,-0.3 68,-0.2 -0.930 47.0-163.8-124.5 148.5 0.4 -19.5 -16.1 34 40 A D E -H 100 0B 77 66,-2.5 66,-2.5 -2,-0.4 -3,-0.0 -0.963 17.4-172.9-127.1 109.0 0.9 -15.7 -16.1 35 41 A T - 0 0 7 -2,-0.5 64,-0.2 64,-0.2 10,-0.1 -0.744 33.5 -91.2-103.0 152.1 3.1 -14.6 -13.2 36 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.239 47.6-105.8 -60.2 150.5 3.9 -10.9 -12.3 37 43 A E - 0 0 95 1,-0.1 5,-2.8 -23,-0.1 8,-0.3 -0.495 26.8-173.8 -79.3 144.2 7.0 -9.3 -13.9 38 44 A T 0 0 31 3,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.471 360.0 360.0-111.3 -10.9 10.2 -8.7 -11.9 39 45 A K 0 0 225 2,-0.0 -1,-0.2 6,-0.0 0, 0.0 -0.715 360.0 360.0-145.7 360.0 11.9 -6.8 -14.8 40 ! 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 41 51 A V 0 0 132 0, 0.0 -3,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 87.5 9.1 -5.1 -10.9 42 52 A E > - 0 0 99 -5,-2.8 3,-2.1 1,-0.1 2,-0.1 -0.193 360.0 -77.5 -68.2 161.7 5.3 -5.8 -10.8 43 53 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -6,-0.1 -0.397 120.4 7.2 -62.3 131.1 3.5 -6.5 -7.5 44 54 A Y T 3> S+ 0 0 40 -2,-0.1 4,-2.6 -3,-0.1 -1,-0.3 0.498 95.6 121.8 71.6 5.4 4.1 -10.1 -6.3 45 55 A G H <> S+ 0 0 0 -3,-2.1 4,-1.9 -8,-0.3 -31,-0.2 0.967 78.3 39.3 -61.3 -52.8 6.7 -10.4 -9.1 46 56 A P H > S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.833 113.1 56.5 -67.3 -31.5 9.5 -11.2 -6.7 47 57 A E H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.963 107.7 48.0 -62.6 -50.5 7.2 -13.4 -4.5 48 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.911 113.9 48.0 -56.4 -45.3 6.3 -15.6 -7.6 49 59 A S H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.887 111.1 48.5 -63.6 -43.2 10.0 -15.8 -8.4 50 60 A A H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.884 110.6 54.7 -66.1 -35.1 11.1 -16.7 -4.9 51 61 A F H X S+ 0 0 46 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.964 111.8 39.4 -62.3 -56.0 8.3 -19.3 -4.8 52 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.883 115.0 54.8 -65.0 -36.2 9.4 -21.2 -8.0 53 63 A K H X S+ 0 0 97 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.950 111.9 42.5 -60.6 -51.2 13.1 -20.9 -7.1 54 64 A K H X S+ 0 0 144 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.910 115.8 49.4 -63.5 -41.5 12.6 -22.4 -3.6 55 65 A M H X S+ 0 0 40 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.912 117.7 39.4 -65.0 -42.2 10.3 -25.2 -5.0 56 66 A Q H < S+ 0 0 4 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.900 115.9 49.3 -76.0 -41.7 12.6 -26.1 -7.8 57 67 A E H < S+ 0 0 94 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.825 112.8 47.6 -67.4 -33.4 16.0 -25.8 -5.9 58 68 A N H < S+ 0 0 112 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.597 89.7 109.6 -83.4 -12.9 14.7 -27.9 -3.0 59 69 A A < - 0 0 20 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.390 56.4-156.5 -70.6 142.7 13.3 -30.6 -5.2 60 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.875 85.3 27.1 -80.3 -44.0 15.0 -34.0 -5.3 61 71 A K - 0 0 144 -54,-0.1 24,-3.0 -56,-0.0 2,-0.4 -0.980 66.1-165.7-125.9 134.9 13.5 -34.8 -8.7 62 72 A I E -AE 6 84A 14 -56,-0.8 -56,-1.6 -2,-0.4 2,-0.4 -0.932 12.5-176.0-115.4 138.2 12.5 -32.4 -11.5 63 73 A E E -AE 5 83A 53 20,-2.0 20,-2.7 -2,-0.4 2,-0.4 -0.994 15.3-147.7-136.1 146.2 10.3 -33.6 -14.4 64 74 A V E -AE 4 82A 0 -60,-2.6 -60,-2.3 -2,-0.4 2,-0.5 -0.930 9.3-167.2-114.1 135.6 9.1 -32.0 -17.5 65 75 A E E -AE 3 81A 15 16,-2.8 16,-2.4 -2,-0.4 -62,-0.2 -0.936 9.2-152.8-125.3 107.1 5.8 -32.9 -19.1 66 76 A F E - E 0 80A 23 -64,-0.5 -64,-0.3 -2,-0.5 14,-0.2 -0.477 16.1-132.4 -74.7 149.5 5.0 -31.6 -22.6 67 77 A D - 0 0 0 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.237 30.4 -95.5 -89.3-172.0 1.4 -31.2 -23.5 68 78 A K S S+ 0 0 125 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.431 101.9 66.9 -86.3 -0.5 -0.2 -32.4 -26.8 69 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 -0.081 105.6 -28.8-101.0-156.3 0.2 -29.1 -28.6 70 80 A Q - 0 0 96 36,-1.2 -1,-0.3 1,-0.1 -3,-0.2 -0.307 52.1-153.3 -59.6 139.1 3.3 -27.2 -29.8 71 81 A R S S+ 0 0 118 1,-0.1 8,-3.1 -3,-0.1 2,-0.3 0.559 71.3 39.6 -94.0 -12.1 6.3 -27.9 -27.6 72 82 A T B S-F 78 0A 76 6,-0.3 6,-0.2 -44,-0.1 -1,-0.1 -0.995 71.3-136.7-137.8 142.6 8.3 -24.7 -28.1 73 83 A D > - 0 0 19 4,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.290 45.0 -85.4 -86.4-179.2 7.3 -21.0 -28.3 74 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.745 127.0 58.1 -58.8 -26.1 8.8 -18.5 -30.8 75 85 A Y T 3 S- 0 0 176 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.181 120.0-104.6 -91.6 15.7 11.7 -17.8 -28.5 76 86 A G S < S+ 0 0 52 -3,-1.8 2,-0.4 1,-0.2 -49,-0.3 0.587 73.4 143.4 74.1 9.4 12.9 -21.4 -28.4 77 87 A R - 0 0 65 -51,-0.1 -4,-2.3 -49,-0.1 -49,-0.3 -0.700 54.2-117.6 -85.9 134.9 11.5 -22.0 -24.9 78 88 A G E -dF 28 72A 0 -51,-2.5 -49,-3.0 -2,-0.4 2,-0.7 -0.432 23.0-138.2 -66.0 140.1 10.1 -25.5 -24.2 79 89 A L E +d 29 0A 8 -8,-3.1 -12,-0.7 -51,-0.2 2,-0.3 -0.896 47.1 128.5-106.8 108.8 6.3 -25.3 -23.3 80 90 A A E -dE 30 66A 0 -51,-1.2 -49,-2.4 -2,-0.7 2,-0.5 -0.941 62.5-103.7-154.5 170.7 5.6 -27.7 -20.4 81 91 A Y E - E 0 65A 0 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.4 -0.855 41.8-150.3 -95.3 130.5 4.2 -28.5 -17.0 82 92 A I E - E 0 64A 0 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.930 8.7-160.6-109.6 132.9 7.1 -28.7 -14.6 83 93 A Y E -GE 88 63A 15 -20,-2.7 -20,-2.0 -2,-0.4 2,-0.5 -0.897 8.1-162.5-115.1 144.7 7.0 -31.0 -11.5 84 94 A A E > S-GE 87 62A 5 3,-2.8 3,-2.0 -2,-0.4 -22,-0.2 -0.979 83.8 -22.1-126.4 110.5 9.1 -30.9 -8.4 85 95 A D T 3 S- 0 0 76 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.901 130.2 -49.4 53.6 45.0 9.1 -34.1 -6.4 86 96 A G T 3 S+ 0 0 39 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.368 116.2 112.4 78.7 -6.3 5.8 -35.0 -8.1 87 97 A K E < S-G 84 0A 152 -3,-2.0 -3,-2.8 4,-0.0 2,-0.4 -0.888 70.2-121.9-103.9 131.0 4.1 -31.6 -7.4 88 98 A M E > -G 83 0A 10 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.521 12.6-156.7 -74.0 122.6 3.3 -29.4 -10.5 89 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.5 -2,-0.4 5,-0.2 0.893 93.6 58.2 -64.5 -38.7 5.0 -26.0 -10.1 90 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.934 111.9 40.7 -56.0 -48.7 2.4 -24.5 -12.6 91 101 A E H > S+ 0 0 64 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.939 112.1 53.1 -68.1 -47.5 -0.5 -25.6 -10.3 92 102 A A H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 6,-0.2 0.910 108.5 53.2 -54.8 -41.9 1.2 -24.7 -7.0 93 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.5 0.922 112.3 42.1 -58.7 -49.6 1.8 -21.2 -8.4 94 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.1 4,-0.2 5,-0.3 0.947 114.1 52.4 -63.8 -47.0 -1.8 -20.6 -9.3 95 105 A R H 3<5S+ 0 0 82 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.827 106.2 53.5 -59.4 -35.7 -3.0 -22.2 -6.0 96 106 A Q T 3<5S- 0 0 84 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.431 116.7-116.2 -80.0 2.0 -0.8 -19.9 -4.0 97 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-1.9 2,-0.2 33,-0.2 0.793 84.7 119.9 68.6 27.1 -2.3 -16.9 -5.8 98 108 A L S -I 108 0C 91 3,-0.6 3,-2.0 1,-0.1 -36,-0.1 -0.983 58.8 -29.6-125.6 121.4 -1.9 -21.7 -26.4 106 116 A K T 3 S- 0 0 116 -2,-0.5 -36,-1.2 1,-0.3 -1,-0.1 0.769 120.4 -48.2 44.4 44.9 -1.7 -23.9 -29.5 107 117 A G T 3 S+ 0 0 29 -38,-0.2 2,-1.3 1,-0.2 -39,-0.3 0.529 99.8 131.4 81.0 4.1 -3.7 -26.9 -28.2 108 118 A N B < +I 105 0C 0 -3,-2.0 -3,-0.6 1,-0.2 -1,-0.2 -0.678 27.4 116.1 -92.3 84.3 -1.8 -27.1 -24.9 109 119 A N > + 0 0 63 -2,-1.3 3,-1.8 -5,-0.1 4,-0.4 0.166 21.1 120.9-135.4 16.5 -4.7 -27.3 -22.5 110 120 A T T 3 S+ 0 0 63 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.929 89.5 32.7 -51.3 -46.8 -4.6 -30.7 -20.9 111 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.196 85.2 111.3 -97.6 20.2 -4.3 -29.2 -17.4 112 122 A E H <> S+ 0 0 45 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.888 79.5 44.8 -60.4 -43.0 -6.5 -26.1 -17.9 113 123 A Q H > S+ 0 0 115 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.921 110.5 54.7 -69.2 -42.2 -9.4 -27.1 -15.7 114 124 A L H > S+ 0 0 66 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 113.5 41.6 -54.5 -48.0 -7.2 -28.2 -12.9 115 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.835 109.7 59.1 -69.7 -32.1 -5.4 -24.8 -12.8 116 126 A R H X S+ 0 0 93 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.913 108.0 47.1 -60.6 -43.1 -8.8 -23.1 -13.3 117 127 A K H X S+ 0 0 136 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 110.6 49.7 -64.2 -50.0 -9.9 -24.8 -10.0 118 128 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.911 111.7 51.3 -56.5 -42.8 -6.7 -23.9 -8.1 119 129 A E H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.855 106.4 51.9 -64.2 -38.3 -7.1 -20.3 -9.3 120 130 A A H X S+ 0 0 50 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.922 110.0 51.3 -64.5 -41.4 -10.8 -20.0 -8.1 121 131 A Q H X S+ 0 0 72 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 109.8 47.6 -63.0 -45.0 -9.7 -21.3 -4.7 122 132 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.881 112.7 50.2 -63.1 -38.2 -6.9 -18.7 -4.4 123 133 A K H ><5S+ 0 0 92 -4,-2.0 3,-2.2 2,-0.2 -2,-0.2 0.961 109.2 50.2 -64.7 -51.2 -9.3 -16.0 -5.5 124 134 A K H 3<5S+ 0 0 167 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.5 48.5 -54.7 -37.2 -11.9 -17.1 -2.9 125 135 A E T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.456 106.3-132.2 -83.5 0.2 -9.1 -17.0 -0.3 126 136 A K T < 5 + 0 0 150 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.876 41.9 179.9 49.8 40.2 -8.1 -13.5 -1.5 127 137 A L > < - 0 0 40 -5,-2.5 3,-2.8 3,-0.1 -1,-0.2 -0.590 44.6 -58.5 -79.8 131.7 -4.5 -14.9 -1.5 128 138 A N G > S+ 0 0 43 -2,-0.3 3,-3.6 1,-0.3 -30,-0.1 -0.072 135.5 30.1 38.7-105.8 -1.7 -12.6 -2.6 129 139 A I G 3 S+ 0 0 37 -32,-1.9 -1,-0.3 1,-0.3 -31,-0.1 0.814 123.4 54.1 -49.8 -30.0 -2.4 -11.3 -6.1 130 140 A W G < 0 0 57 -3,-2.8 -1,-0.3 -33,-0.2 -2,-0.2 0.306 360.0 360.0 -89.3 9.9 -6.0 -11.7 -5.2 131 141 A S < 0 0 99 -3,-3.6 -1,-0.1 -34,-0.2 -4,-0.1 -0.408 360.0 360.0 -69.7 360.0 -5.6 -9.5 -2.1