==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-11 3ZU0 . COMPND 2 MOLECULE: NAD NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.GARAVAGLIA,S.BRUZZONE,C.CASSANI,L.CANELLA,G.ALLEGRONE,L.ST . 1067 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 76 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 4 2 5 1 1 2 4 2 3 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 5 4 2 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 PARALLEL BRIDGES PER LADDER . 6 2 7 5 2 2 5 1 2 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 . 3 3 1 2 2 0 0 0 0 0 2 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 32 A H 0 0 131 0, 0.0 2,-0.3 0, 0.0 273,-0.1 0.000 360.0 360.0 360.0 137.9 -30.6 96.8 28.8 2 33 A K - 0 0 132 271,-0.2 2,-0.2 270,-0.1 273,-0.1 -0.877 360.0-105.3-120.7 157.3 -29.5 99.5 26.5 3 34 A A - 0 0 56 -2,-0.3 2,-0.3 271,-0.1 269,-0.2 -0.575 41.0-175.5 -75.8 142.4 -28.2 99.5 22.9 4 35 A V E -A 271 0A 5 267,-1.6 267,-3.6 -2,-0.2 2,-0.4 -0.975 19.3-142.5-139.0 154.7 -24.5 100.1 22.4 5 36 A E E -A 270 0A 45 -2,-0.3 2,-0.3 265,-0.2 265,-0.2 -0.964 17.5-168.0-117.8 137.6 -22.1 100.5 19.5 6 37 A L E -A 269 0A 0 263,-3.0 263,-2.7 -2,-0.4 2,-0.6 -0.919 16.3-146.1-122.7 147.5 -18.6 99.0 19.5 7 38 A S E -Ab 268 56A 1 48,-2.5 50,-3.0 -2,-0.3 2,-0.5 -0.900 20.0-161.5-115.4 101.4 -15.6 99.6 17.2 8 39 A I E +Ab 267 57A 0 259,-2.8 259,-2.8 -2,-0.6 2,-0.4 -0.713 11.4 179.0 -87.1 125.3 -13.6 96.4 16.9 9 40 A L E +Ab 266 58A 0 48,-2.7 50,-2.5 -2,-0.5 2,-0.3 -0.997 17.4 165.1-125.5 126.0 -10.1 96.7 15.6 10 41 A H E -Ab 265 59A 0 255,-1.5 255,-2.6 -2,-0.4 2,-0.3 -0.982 25.2-176.9-148.0 150.6 -8.1 93.5 15.4 11 42 A I E - b 0 60A 2 48,-2.0 50,-2.7 -2,-0.3 2,-0.3 -0.852 13.2-172.2-132.3 175.1 -5.1 91.6 14.1 12 43 A N + 0 0 3 245,-0.4 249,-0.4 -2,-0.3 251,-0.2 -0.974 56.0 17.1-163.0 152.5 -4.0 88.0 14.3 13 44 A D + 0 0 0 49,-3.1 247,-2.7 -2,-0.3 51,-0.2 0.870 56.1 157.8 54.8 46.5 -1.1 85.7 13.5 14 45 A H > - 0 0 0 48,-0.2 3,-1.9 245,-0.2 50,-0.2 0.810 30.0-161.8 -73.5 -21.8 1.5 88.4 13.1 15 46 A H T 3 - 0 0 11 48,-2.4 50,-0.2 1,-0.3 49,-0.2 0.846 64.2 -55.9 49.0 45.8 4.1 85.6 13.9 16 47 A S T 3 S+ 0 0 0 48,-2.2 2,-1.7 1,-0.2 54,-0.4 0.720 90.4 150.3 59.8 22.2 6.9 88.1 14.8 17 48 A Y < + 0 0 69 -3,-1.9 21,-0.4 1,-0.2 -1,-0.2 -0.599 6.3 156.1 -81.0 80.3 6.7 89.8 11.4 18 49 A L + 0 0 1 -2,-1.7 21,-2.2 20,-0.2 22,-0.6 0.834 56.3 57.8 -80.0 -31.2 7.9 93.1 12.7 19 50 A E S S- 0 0 53 -3,-0.3 19,-0.5 19,-0.3 17,-0.1 -0.584 96.7 -94.9 -93.6 159.2 9.1 94.4 9.3 20 51 A P E -C 37 0A 70 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.259 41.1-153.1 -61.2 159.6 7.1 94.8 6.1 21 52 A H E -C 36 0A 44 15,-2.5 15,-2.9 239,-0.1 2,-0.3 -0.921 17.6-100.2-135.6 165.0 7.2 91.9 3.7 22 53 A E E +C 35 0A 85 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.617 40.3 165.7 -92.3 140.7 6.8 91.6 -0.1 23 54 A T E -C 34 0A 30 11,-2.3 11,-2.3 -2,-0.3 2,-0.4 -0.909 29.7-119.1-140.8 168.8 3.7 90.5 -1.8 24 55 A R E +C 33 0A 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 29.9 173.4-116.2 138.2 2.3 90.6 -5.4 25 56 A I E -C 32 0A 5 7,-2.5 7,-3.0 -2,-0.4 2,-0.8 -0.877 36.1-115.2-130.7 164.0 -0.8 92.3 -6.6 26 57 A N E +C 31 0A 51 206,-2.8 2,-0.5 -2,-0.3 5,-0.2 -0.893 41.8 173.1-100.9 107.1 -2.6 93.1 -9.8 27 58 A L E > -C 30 0A 5 3,-2.2 3,-1.7 -2,-0.8 286,-0.1 -0.963 67.6 -13.3-123.3 122.2 -2.6 96.9 -10.2 28 59 A N T 3 S- 0 0 80 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.819 131.4 -52.9 54.3 33.1 -3.8 98.7 -13.3 29 60 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.366 117.7 103.9 91.2 -3.9 -3.7 95.3 -15.1 30 61 A Q E < S-C 27 0A 102 -3,-1.7 -3,-2.2 265,-0.0 2,-0.2 -0.921 76.6-114.0-118.9 136.3 -0.1 94.4 -14.2 31 62 A Q E -C 26 0A 102 -2,-0.4 265,-0.5 -5,-0.2 2,-0.4 -0.465 46.7-173.7 -59.1 125.3 1.5 92.0 -11.7 32 63 A T E -CD 25 295A 1 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.5 -0.995 23.3-135.7-132.7 131.7 3.2 94.4 -9.3 33 64 A K E +CD 24 294A 35 261,-2.5 261,-2.1 -2,-0.4 2,-0.3 -0.767 35.6 163.4 -85.6 128.9 5.5 93.8 -6.3 34 65 A V E -C 23 0A 0 -11,-2.3 -11,-2.3 -2,-0.5 2,-0.4 -0.854 36.0-114.0-134.5 170.5 4.8 95.9 -3.3 35 66 A D E -C 22 0A 39 257,-0.4 254,-2.7 254,-0.3 2,-0.3 -0.914 34.4-179.9-107.7 136.8 5.6 95.9 0.5 36 67 A I E +CE 21 288A 1 -15,-2.9 -15,-2.5 -2,-0.4 252,-0.2 -0.946 36.9 2.6-131.6 156.0 2.9 95.3 3.1 37 68 A G E +C 20 0A 7 250,-2.5 4,-0.3 225,-0.4 225,-0.2 -0.388 43.3 159.8 84.8-149.6 2.6 95.1 6.8 38 69 A G > - 0 0 2 -19,-0.5 4,-1.6 222,-0.5 3,-0.3 0.183 55.8 -98.4 90.3 144.8 5.2 95.6 9.6 39 70 A F H > S+ 0 0 0 -21,-2.2 4,-2.6 1,-0.2 5,-0.2 0.708 118.5 63.8 -72.5 -19.5 4.3 96.4 13.2 40 71 A S H > S+ 0 0 14 -22,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.931 105.4 44.5 -66.2 -44.5 4.9 100.1 12.8 41 72 A A H > S+ 0 0 12 -4,-0.3 4,-2.3 -3,-0.3 5,-0.2 0.894 113.1 54.1 -63.6 -39.1 2.1 100.4 10.3 42 73 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.971 111.3 41.7 -60.3 -55.0 -0.1 98.2 12.6 43 74 A N H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.887 114.5 52.3 -62.7 -39.0 0.4 100.4 15.7 44 75 A A H X S+ 0 0 7 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.931 112.3 44.6 -61.0 -47.3 0.0 103.7 13.7 45 76 A K H X S+ 0 0 32 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.906 113.3 51.0 -65.8 -41.1 -3.2 102.6 12.1 46 77 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.937 111.1 48.8 -61.7 -44.5 -4.6 101.3 15.4 47 78 A N H X S+ 0 0 51 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.899 115.2 43.5 -62.1 -43.0 -3.7 104.6 17.1 48 79 A K H X S+ 0 0 112 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.934 116.7 45.2 -66.8 -49.3 -5.4 106.7 14.4 49 80 A L H >X S+ 0 0 7 -4,-2.8 4,-1.9 1,-0.2 3,-0.8 0.916 110.0 53.8 -64.2 -43.5 -8.5 104.5 14.1 50 81 A R H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.850 108.8 49.6 -62.6 -31.6 -9.1 104.1 17.8 51 82 A K H 3< S+ 0 0 187 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.711 113.4 47.6 -77.5 -19.7 -9.0 107.9 18.3 52 83 A K H << S+ 0 0 159 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.773 105.4 64.3 -91.9 -30.2 -11.5 108.4 15.4 53 84 A Y S < S- 0 0 28 -4,-1.9 2,-0.2 -5,-0.1 -46,-0.1 -0.660 82.1-113.4-101.7 149.3 -14.1 105.8 16.4 54 85 A K S S+ 0 0 128 -2,-0.3 -47,-0.1 1,-0.2 -2,-0.1 -0.575 91.9 2.5 -79.5 142.1 -16.4 105.5 19.4 55 86 A N S S- 0 0 43 -2,-0.2 -48,-2.5 -49,-0.2 -1,-0.2 0.907 81.9-159.7 55.0 54.9 -15.8 102.7 21.9 56 87 A P E -b 7 0A 37 0, 0.0 2,-0.4 0, 0.0 -48,-0.2 -0.396 10.4-165.7 -66.7 139.8 -12.7 101.1 20.3 57 88 A L E -b 8 0A 5 -50,-3.0 -48,-2.7 -2,-0.1 2,-0.6 -0.953 8.3-159.9-127.5 110.2 -12.0 97.5 21.3 58 89 A V E +b 9 0A 0 -2,-0.4 31,-2.8 -50,-0.2 32,-1.5 -0.830 17.0 175.8-105.5 117.4 -8.4 96.5 20.3 59 90 A L E -bf 10 90A 0 -50,-2.5 -48,-2.0 -2,-0.6 2,-0.5 -0.882 28.2-159.8-130.3 146.5 -7.8 92.7 20.0 60 91 A H E -bf 11 91A 0 30,-1.7 32,-1.8 -2,-0.3 -48,-0.2 -0.979 13.1-157.0-126.2 114.7 -5.0 90.3 18.9 61 92 A A - 0 0 0 -50,-2.7 -49,-0.2 -2,-0.5 30,-0.1 0.145 50.0 -88.7 -88.7 19.6 -6.4 86.9 18.1 62 93 A G S S+ 0 0 0 -51,-0.1 -49,-3.1 156,-0.1 157,-0.3 -0.090 90.6 88.2 107.7 170.0 -3.2 84.9 18.7 63 94 A D + 0 0 0 29,-0.2 -48,-2.4 -50,-0.2 -47,-0.1 0.962 43.9 155.1 57.5 55.5 0.1 83.6 17.3 64 95 A A + 0 0 0 -50,-0.2 -48,-2.2 -51,-0.2 2,-0.3 0.857 57.7 56.9 -69.6 -36.6 1.9 86.8 18.2 65 96 A I S S+ 0 0 2 -50,-0.2 -50,-0.1 -49,-0.1 34,-0.1 -0.678 80.3 36.1-112.2 157.8 5.2 84.8 18.3 66 97 A T + 0 0 12 -2,-0.3 -49,-0.1 2,-0.2 3,-0.1 0.502 66.9 86.4 85.5 138.1 7.4 82.5 16.2 67 98 A G S S+ 0 0 50 1,-0.4 2,-0.3 -51,-0.1 -51,-0.1 0.201 84.8 45.0 132.9 -15.1 8.1 82.6 12.5 68 99 A T S >> S- 0 0 29 356,-0.1 4,-1.8 1,-0.0 3,-1.6 -0.915 89.8 -95.7-145.5 173.2 11.0 85.0 12.1 69 100 A L H 3> S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.3 5,-0.4 0.712 113.9 74.8 -65.1 -23.2 14.4 85.8 13.7 70 101 A Y H 34 S+ 0 0 6 -54,-0.4 6,-0.5 1,-0.2 8,-0.4 0.786 107.0 34.5 -61.2 -27.3 12.7 88.5 15.8 71 102 A F H <> S+ 0 0 20 -3,-1.6 4,-2.2 -56,-0.1 5,-0.3 0.892 117.9 50.5 -85.9 -49.4 11.3 85.6 17.8 72 103 A T H < S+ 0 0 34 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.875 117.4 38.1 -60.7 -40.2 14.3 83.2 17.6 73 104 A L T < S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.783 127.4 31.6 -80.9 -29.4 16.9 85.8 18.6 74 105 A F T >4 S- 0 0 30 -5,-0.4 3,-1.8 -4,-0.4 -2,-0.2 0.379 94.8-129.8-119.5 3.1 15.0 87.7 21.3 75 106 A G T 3< S- 0 0 12 -4,-2.2 -4,-0.1 1,-0.3 -3,-0.1 0.700 72.4 -49.9 59.4 24.7 12.7 85.0 22.7 76 107 A G T 3> S+ 0 0 0 -6,-0.5 4,-2.5 -5,-0.3 -1,-0.3 0.302 112.4 109.0 102.0 -9.1 9.5 87.0 22.4 77 108 A S H <> S+ 0 0 44 -3,-1.8 4,-1.8 2,-0.2 5,-0.1 0.870 79.0 53.2 -70.0 -34.3 10.7 90.2 24.1 78 109 A A H > S+ 0 0 0 -8,-0.4 4,-1.9 2,-0.2 5,-0.2 0.956 111.3 46.1 -61.1 -49.6 10.7 92.0 20.7 79 110 A D H > S+ 0 0 0 -9,-0.3 4,-2.3 1,-0.2 5,-0.2 0.920 110.4 52.7 -61.0 -43.9 7.1 91.0 20.2 80 111 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 33,-0.3 0.887 108.6 52.3 -57.8 -38.4 6.0 91.9 23.7 81 112 A A H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.915 111.5 42.9 -68.2 -45.6 7.5 95.4 23.2 82 113 A V H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.876 115.0 50.5 -70.3 -35.7 5.7 96.2 20.0 83 114 A M H >X>S+ 0 0 0 -4,-2.3 3,-0.9 -5,-0.2 5,-0.8 0.893 108.2 52.5 -68.4 -39.9 2.4 94.8 21.2 84 115 A N H ><5S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.920 106.2 54.8 -56.8 -42.5 2.7 96.9 24.4 85 116 A A T 3<5S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.623 103.3 58.0 -68.8 -12.2 3.2 99.9 22.2 86 117 A G T <45S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.619 96.4-141.9 -90.4 -14.9 -0.0 99.0 20.5 87 118 A N T <<5 - 0 0 100 -3,-1.4 -29,-0.2 -4,-0.6 -3,-0.1 0.903 26.5-173.0 51.6 47.6 -2.1 99.2 23.7 88 119 A F < - 0 0 7 -5,-0.8 -29,-0.2 1,-0.1 -1,-0.1 -0.413 23.8-143.1 -62.1 145.3 -4.3 96.2 22.8 89 120 A H S S+ 0 0 65 -31,-2.8 2,-0.3 1,-0.3 -30,-0.2 0.839 79.5 6.6 -77.5 -36.6 -7.2 95.5 25.2 90 121 A Y E -f 59 0A 13 -32,-1.5 -30,-1.7 24,-0.1 2,-0.3 -0.997 55.1-166.6-151.1 151.3 -6.9 91.7 24.9 91 122 A F E -fg 60 116A 0 24,-1.9 26,-2.6 -2,-0.3 2,-0.3 -0.980 12.7-155.4-133.9 137.8 -4.7 89.0 23.5 92 123 A T E - g 0 117A 0 -32,-1.8 2,-0.3 -2,-0.3 -29,-0.2 -0.890 26.4-106.2-112.2 151.8 -5.7 85.3 23.2 93 124 A L - 0 0 0 24,-0.9 103,-0.4 -2,-0.3 60,-0.1 -0.562 33.8-165.0 -75.1 137.4 -3.2 82.4 23.0 94 125 A G - 0 0 0 -2,-0.3 4,-0.2 58,-0.1 3,-0.1 -0.328 37.3 -93.7-102.7-168.8 -2.7 80.6 19.7 95 126 A N S > S+ 0 0 6 1,-0.2 3,-1.5 101,-0.2 4,-0.1 0.905 120.3 55.0 -75.9 -40.7 -1.0 77.3 19.0 96 127 A H G > S+ 0 0 55 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.632 85.9 82.4 -71.5 -10.3 2.5 78.7 18.3 97 128 A E G 3 S+ 0 0 0 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.784 95.4 46.3 -58.9 -25.7 2.5 80.4 21.6 98 129 A F G X S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.2 64,-0.8 0.340 77.8 107.1 -99.9 7.2 3.6 77.0 23.0 99 130 A D T < S+ 0 0 22 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.735 87.2 40.4 -59.3 -26.9 6.3 76.2 20.4 100 131 A A T 3> S- 0 0 45 1,-0.4 4,-1.7 -3,-0.3 -1,-0.3 -0.030 119.2-109.8-111.0 27.5 9.1 76.9 22.9 101 132 A G H <> - 0 0 17 -3,-2.2 4,-2.0 2,-0.2 -1,-0.4 -0.075 52.5 -53.0 74.2-177.7 7.3 75.2 25.9 102 133 A N H > S+ 0 0 16 60,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.826 139.2 56.5 -62.2 -35.2 5.8 76.8 29.0 103 134 A E H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 106.0 49.5 -61.8 -48.7 9.2 78.6 29.5 104 135 A G H X S+ 0 0 4 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.914 111.8 48.6 -55.5 -45.6 9.0 80.1 26.0 105 136 A L H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.2 0.906 106.7 56.2 -64.3 -40.7 5.5 81.3 26.7 106 137 A L H 3X S+ 0 0 22 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.874 99.8 59.7 -59.7 -36.1 6.5 82.8 30.0 107 138 A K H 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.726 110.5 42.3 -68.7 -21.5 9.2 84.9 28.3 108 139 A L H - 0 0 13 42,-3.2 3,-1.8 -2,-0.2 6,-0.1 -0.296 35.6-102.7 -63.5 160.1 -2.5 73.3 36.9 125 156 A K T 3 S+ 0 0 117 1,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.710 121.8 54.1 -58.8 -24.5 -1.6 75.2 40.1 126 157 A S T 3 S+ 0 0 99 40,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.481 84.7 110.3 -92.2 -5.6 2.0 74.0 39.9 127 158 A S S X S- 0 0 7 -3,-1.8 3,-1.7 39,-0.2 40,-0.0 -0.433 73.5-133.7 -67.6 142.9 2.5 75.3 36.4 128 159 A I T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.699 111.1 59.3 -66.3 -16.1 4.8 78.3 35.9 129 160 A L T > S+ 0 0 0 -5,-0.1 3,-1.3 2,-0.0 4,-0.3 0.393 76.3 129.2 -92.3 3.1 1.9 79.5 33.7 130 161 A Y T < S+ 0 0 54 -3,-1.7 -6,-0.1 1,-0.3 -5,-0.1 -0.325 79.0 5.6 -60.1 138.2 -0.6 79.4 36.6 131 162 A N T 3 S+ 0 0 116 -8,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.801 93.0 118.1 56.3 36.5 -2.6 82.7 36.9 132 163 A K S < S+ 0 0 77 -3,-1.3 -16,-0.3 1,-0.2 2,-0.3 0.552 78.8 14.5-104.2 -12.8 -1.1 84.2 33.8 133 164 A W - 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0 0 59 -2,-0.9 2,-0.3 -3,-0.1 -3,-0.1 -0.989 26.7-144.0-128.0 122.3 -54.6 46.8 20.7 1070 584 B E - 0 0 177 -2,-0.5 2,-0.2 1,-0.1 -2,-0.0 -0.636 35.7-107.4 -77.6 140.3 -55.5 43.7 18.8 1071 585 B A - 0 0 66 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.502 29.1-105.3 -83.4 140.1 -53.9 40.6 20.2 1072 586 B Y 0 0 105 -2,-0.2 -1,-0.1 1,-0.1 -153,-0.0 -0.131 360.0 360.0 -49.7 145.5 -51.1 38.6 18.8 1073 587 B T 0 0 190 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.317 360.0 360.0-121.9 360.0 -51.9 35.3 17.0