==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-06 2CF4 . COMPND 2 MOLECULE: PROTEIN PH0519; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR F.M.D.VELLIEUX,G.SCHOEHN,M.A.DURA,A.ROUSSEL,B.FRANZETTI . 330 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 14.8 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 0 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 3 4 3 1 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 . 0 0 0 1 0 1 0 1 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 2 A S 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.0 110.8 16.8 55.3 2 3 A X > + 0 0 18 3,-0.1 4,-1.7 2,-0.1 5,-0.1 0.721 360.0 38.9 -96.4 -47.5 110.9 18.2 51.8 3 4 A I H >> S+ 0 0 45 2,-0.2 4,-3.1 1,-0.2 3,-1.4 0.999 120.0 42.8 -57.6 -70.0 112.0 14.8 50.4 4 5 A E H 3> S+ 0 0 131 1,-0.3 4,-1.5 2,-0.3 -1,-0.2 0.759 112.2 57.1 -58.2 -20.8 109.8 12.6 52.6 5 6 A K H 3> S+ 0 0 33 2,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.914 114.1 39.2 -68.1 -42.3 107.1 15.1 52.0 6 7 A L H XX S+ 0 0 0 -4,-1.7 4,-2.4 -3,-1.4 3,-1.0 0.926 113.2 52.3 -74.5 -48.5 107.7 14.4 48.3 7 8 A K H 3X S+ 0 0 77 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.875 108.6 56.2 -51.6 -37.0 108.2 10.6 48.7 8 9 A K H 3X S+ 0 0 111 -4,-1.5 4,-0.5 -5,-0.4 -1,-0.2 0.788 111.8 39.5 -67.6 -29.9 104.9 10.7 50.6 9 10 A F H << S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.750 111.3 52.1-102.4 -27.9 102.9 12.3 47.7 10 11 A T H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.891 104.5 61.0 -67.0 -40.5 104.3 10.5 44.7 11 12 A Q H < S+ 0 0 95 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.817 82.8 95.0 -57.6 -33.0 103.6 7.2 46.4 12 13 A I S < S- 0 0 23 -4,-0.5 10,-0.1 1,-0.1 2,-0.0 -0.464 72.9-139.5 -62.9 112.3 99.9 7.9 46.6 13 14 A P + 0 0 21 0, 0.0 9,-0.1 0, 0.0 -1,-0.1 -0.331 45.4 124.9 -66.5 152.1 98.1 6.3 43.6 14 15 A G - 0 0 0 7,-0.1 49,-0.3 137,-0.1 5,-0.1 -0.079 28.7-171.5 154.5 103.0 95.3 8.2 41.8 15 16 A I > - 0 0 0 47,-0.3 3,-2.4 1,-0.2 49,-0.2 -0.437 54.3 -43.6 -99.3-178.5 94.9 9.1 38.2 16 17 A S T 3 S+ 0 0 9 47,-1.0 -1,-0.2 1,-0.3 185,-0.1 -0.164 131.6 13.5 -56.4 130.3 92.3 11.3 36.5 17 18 A G T 3 S+ 0 0 46 -3,-0.1 -1,-0.3 24,-0.1 3,-0.1 -0.108 122.4 68.1 100.0 -30.9 88.8 10.7 37.9 18 19 A Y < + 0 0 62 -3,-2.4 3,-0.3 1,-0.1 -3,-0.2 -0.350 54.1 130.7-119.1 44.1 90.2 8.7 40.8 19 20 A E >> + 0 0 4 1,-0.2 3,-2.0 -5,-0.1 4,-1.5 0.428 36.1 109.0 -83.2 2.3 92.0 11.3 42.8 20 21 A E H >> S+ 0 0 79 1,-0.3 4,-2.3 2,-0.2 3,-0.9 0.916 70.7 54.1 -47.2 -66.5 90.5 10.4 46.2 21 22 A R H 3> S+ 0 0 73 -3,-0.3 4,-0.6 1,-0.3 -1,-0.3 0.719 111.7 50.6 -46.4 -19.4 93.4 8.8 47.9 22 23 A I H <> S+ 0 0 0 -3,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.912 110.5 42.3 -88.6 -42.9 95.3 12.0 47.2 23 24 A R H X S+ 0 0 24 -4,-2.2 4,-2.7 1,-0.2 3,-1.1 0.823 101.7 61.6 -70.5 -34.6 93.2 17.1 54.0 28 29 A R H 3< S+ 0 0 197 -4,-1.4 4,-0.2 1,-0.2 -1,-0.2 0.910 113.6 37.1 -55.2 -40.0 95.0 15.0 56.7 29 30 A E T 3< S+ 0 0 26 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.270 125.7 38.3 -99.8 13.0 97.8 17.7 56.5 30 31 A I T X4 S+ 0 0 4 -3,-1.1 3,-2.9 -5,-0.1 -3,-0.2 0.616 81.8 96.3-126.4 -40.7 95.5 20.7 56.1 31 32 A K T 3< S+ 0 0 128 -4,-2.7 5,-0.1 1,-0.3 -3,-0.1 0.664 90.0 45.6 -9.1 -55.6 92.4 20.1 58.2 32 33 A D T 3 S+ 0 0 139 -4,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.047 110.8 47.5-112.3 21.2 93.8 22.1 61.1 33 34 A F S < S- 0 0 100 -3,-2.9 151,-0.1 1,-0.4 154,-0.1 -0.888 116.1 -5.3-134.6 153.8 95.1 25.2 59.5 34 35 A A S S- 0 0 18 -2,-0.3 -1,-0.4 1,-0.1 2,-0.4 0.403 80.9 -96.0 47.6 171.3 92.8 26.9 57.0 35 36 A D - 0 0 135 12,-0.4 12,-0.3 -3,-0.1 2,-0.2 -0.976 32.7-157.3-134.2 130.6 89.4 25.6 55.8 36 37 A Y - 0 0 103 -2,-0.4 2,-0.3 10,-0.1 10,-0.2 -0.492 11.3-167.0-103.8 166.2 88.5 23.6 52.7 37 38 A K E -A 45 0A 94 8,-1.4 8,-2.5 -2,-0.2 2,-0.6 -0.953 21.4-135.2-141.1 146.0 85.5 22.9 50.4 38 39 A V E -A 44 0A 65 -2,-0.3 6,-0.2 6,-0.2 5,-0.2 -0.892 18.5-129.1-106.9 118.2 85.3 20.1 47.9 39 40 A D - 0 0 23 4,-2.9 -1,-0.1 -2,-0.6 174,-0.0 0.088 22.8-112.7 -38.6 160.5 84.0 20.8 44.4 40 41 A A S S+ 0 0 92 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.994 121.4 44.9 -55.7 -68.1 81.3 18.6 42.9 41 42 A I S S- 0 0 56 1,-0.1 -1,-0.1 168,-0.1 -24,-0.1 0.814 132.7 -91.0 -55.4 -37.3 83.8 17.4 40.3 42 43 A G S S+ 0 0 0 1,-0.2 -1,-0.1 167,-0.1 -2,-0.1 0.223 70.5 149.1 155.9 -16.3 86.4 16.9 43.0 43 44 A N - 0 0 0 -5,-0.2 -4,-2.9 166,-0.2 2,-0.7 -0.163 41.5-136.9 -61.8 124.4 88.5 20.0 43.4 44 45 A L E -AB 38 199A 1 155,-1.4 155,-2.2 -6,-0.2 2,-0.5 -0.681 28.6-173.1 -66.5 112.2 90.0 21.0 46.8 45 46 A I E +AB 37 198A 2 -8,-2.5 -8,-1.4 -2,-0.7 2,-0.4 -0.946 10.3 179.4-115.6 132.9 89.4 24.7 47.1 46 47 A V E - B 0 197A 0 151,-2.8 151,-2.1 -2,-0.5 -10,-0.1 -0.811 9.6-161.4-139.0 96.1 90.9 26.7 49.9 47 48 A E - 0 0 52 -2,-0.4 -12,-0.4 -12,-0.3 2,-0.3 -0.219 3.3-155.9 -69.6 159.8 90.3 30.5 50.1 48 49 A L - 0 0 11 147,-0.5 147,-1.1 -14,-0.1 145,-0.2 -0.883 61.5 -11.0-141.3 116.2 92.4 32.8 52.2 49 50 A G S S- 0 0 40 -2,-0.3 2,-0.3 145,-0.2 145,-0.1 -0.398 83.2 -97.3 86.5-177.5 91.1 36.1 53.4 50 51 A E + 0 0 180 143,-0.3 2,-0.3 -2,-0.1 142,-0.1 -0.935 69.8 57.1-139.2 162.1 87.8 37.5 52.1 51 52 A G S S+ 0 0 53 -2,-0.3 143,-0.1 143,-0.1 142,-0.0 -0.836 90.0 10.3 120.7-160.3 86.7 40.0 49.5 52 53 A E S S- 0 0 172 -2,-0.3 2,-0.8 1,-0.1 168,-0.1 -0.242 84.1-105.3 -53.7 144.4 87.3 40.4 45.7 53 54 A E + 0 0 47 165,-0.3 167,-0.6 1,-0.2 142,-0.1 -0.668 50.3 169.0 -81.3 108.6 88.9 37.2 44.3 54 55 A R + 0 0 45 140,-1.8 166,-2.9 -2,-0.8 2,-0.3 0.956 48.9 8.1 -90.0 -86.2 92.5 38.1 43.7 55 56 A I - 0 0 0 164,-0.2 141,-2.4 139,-0.1 2,-0.4 -0.715 56.3-156.8-100.3 150.5 95.0 35.2 42.8 56 57 A L E -cd 196 222A 0 165,-1.3 167,-3.4 -2,-0.3 2,-0.5 -0.988 5.5-165.6-127.4 131.7 94.3 31.6 42.0 57 58 A F E -cd 197 223A 0 139,-2.8 141,-2.9 -2,-0.4 2,-0.5 -0.935 7.2-174.2-117.5 128.7 96.9 28.7 42.4 58 59 A X E +cd 198 224A 1 165,-1.1 167,-2.6 -2,-0.5 2,-0.4 -0.966 17.3 163.3-131.2 122.5 96.5 25.3 41.0 59 60 A A E -c 199 0A 0 139,-1.6 141,-1.4 -2,-0.5 2,-0.3 -0.986 35.4-130.6-122.2 142.4 98.5 22.1 41.3 60 61 A H E -c 200 0A 1 -2,-0.4 116,-0.3 139,-0.3 141,-0.2 -0.738 11.3-156.3-102.3 139.4 96.6 19.0 40.2 61 62 A X + 0 0 0 139,-2.7 140,-0.2 -2,-0.3 112,-0.1 0.927 66.9 90.0 -72.2 -45.9 96.3 15.6 42.1 62 63 A D - 0 0 0 138,-0.7 -47,-0.3 -47,-0.1 2,-0.2 0.035 53.8-177.7 -59.2 162.5 95.7 13.3 39.2 63 64 A E - 0 0 0 -49,-0.3 -47,-1.0 109,-0.1 2,-0.5 -0.811 36.5 -73.8-145.5 179.1 98.5 11.6 37.4 64 65 A I + 0 0 1 107,-0.3 2,-0.2 -2,-0.2 19,-0.2 -0.773 65.4 133.7 -89.8 132.2 99.0 9.3 34.4 65 66 A G E -I 82 0B 0 17,-1.2 17,-1.9 -2,-0.5 2,-0.4 -0.628 52.2 -83.6-150.6-158.6 98.1 5.7 35.0 66 67 A L E -IJ 81 151B 0 85,-2.2 85,-1.8 15,-0.2 2,-0.5 -0.989 25.3-140.7-129.4 132.9 96.1 2.9 33.3 67 68 A L E -IJ 80 150B 30 13,-1.7 13,-2.4 -2,-0.4 2,-0.8 -0.783 22.3-127.7 -90.7 132.1 92.4 2.3 33.3 68 69 A I E +I 79 0B 0 81,-2.5 80,-3.6 -2,-0.5 11,-0.3 -0.688 30.5 176.8 -79.3 113.3 91.3 -1.3 33.5 69 70 A T E - 0 0 74 9,-1.1 2,-0.3 -2,-0.8 10,-0.2 0.775 55.9 -40.8 -90.3 -31.8 89.0 -1.8 30.6 70 71 A G E -I 78 0B 17 8,-1.0 8,-3.2 76,-0.1 2,-0.4 -0.966 56.9 -91.9-173.3-168.0 88.3 -5.5 30.9 71 72 A I E -I 77 0B 26 -2,-0.3 6,-0.2 6,-0.2 67,-0.1 -0.982 26.1-130.8-132.8 137.8 89.6 -9.0 31.6 72 73 A T > - 0 0 14 4,-2.8 3,-1.7 -2,-0.4 69,-0.1 -0.263 34.9-102.4 -78.0 169.9 91.0 -11.8 29.5 73 74 A D T 3 S+ 0 0 123 1,-0.3 65,-2.3 2,-0.1 66,-0.2 0.744 123.6 48.2 -65.6 -28.4 89.9 -15.4 29.6 74 75 A E T 3 S- 0 0 127 63,-0.3 -1,-0.3 64,-0.1 61,-0.1 -0.006 124.9-100.1-105.2 26.9 93.1 -16.3 31.5 75 76 A G S < S+ 0 0 0 -3,-1.7 60,-0.5 1,-0.2 58,-0.4 0.755 72.9 141.6 75.2 28.2 92.7 -13.5 34.0 76 77 A K - 0 0 60 56,-0.1 -4,-2.8 58,-0.1 2,-0.4 -0.793 51.2-114.6 -95.9 148.1 95.1 -10.9 32.6 77 78 A L E -IK 71 131B 0 54,-2.3 54,-2.3 -2,-0.3 2,-0.3 -0.685 19.5-151.4 -91.7 132.4 93.9 -7.3 32.8 78 79 A R E +I 70 0B 125 -8,-3.2 -9,-1.1 -2,-0.4 -8,-1.0 -0.723 22.2 179.2 -91.9 151.7 93.2 -5.1 29.8 79 80 A F E -I 68 0B 7 50,-0.3 -11,-0.2 -11,-0.3 2,-0.2 -0.985 25.7-147.4-149.3 155.7 93.7 -1.4 30.1 80 81 A R E -I 67 0B 145 -13,-2.4 -13,-1.7 -2,-0.3 2,-0.4 -0.662 38.5-104.4-106.2 171.0 93.4 1.8 28.3 81 82 A K E -I 66 0B 41 -2,-0.2 2,-0.6 -15,-0.2 -15,-0.2 -0.810 21.7-154.0 -95.6 141.9 95.8 4.7 29.1 82 83 A V E S-I 65 0B 13 -17,-1.9 -17,-1.2 -2,-0.4 2,-0.3 -0.948 70.1 -10.8-111.1 112.6 94.6 7.7 31.0 83 84 A G S S- 0 0 31 -2,-0.6 2,-0.5 -19,-0.2 -2,-0.1 -0.819 110.0 -38.6 104.7-146.6 96.7 10.7 30.1 84 85 A G + 0 0 34 -2,-0.3 2,-0.2 2,-0.0 -20,-0.1 -0.811 63.8 153.7-129.8 96.7 99.9 10.6 28.1 85 86 A I - 0 0 17 -2,-0.5 2,-0.4 -20,-0.1 221,-0.1 -0.622 39.4-122.6-107.6 174.6 102.4 7.8 28.6 86 87 A D > - 0 0 63 219,-0.3 3,-2.2 -2,-0.2 4,-0.1 -0.975 19.1-131.9-121.3 131.9 104.9 6.4 26.1 87 88 A D G >> S+ 0 0 36 -2,-0.4 3,-3.7 1,-0.3 4,-0.9 0.814 101.0 66.0 -61.8 -34.8 104.6 2.8 25.3 88 89 A R G 34 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.742 99.3 58.4 -59.4 -19.4 108.3 1.8 25.7 89 90 A L G <4 S+ 0 0 40 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.344 101.1 57.3 -89.3 4.0 107.6 2.7 29.4 90 91 A L T X4 S+ 0 0 0 -3,-3.7 3,-0.6 34,-0.1 2,-0.2 0.712 79.4 101.9-100.0 -25.8 104.9 0.1 29.5 91 92 A Y T 3< S- 0 0 78 -4,-0.9 18,-0.1 1,-0.2 19,-0.1 -0.415 97.3 -15.7 -72.0 122.8 106.8 -2.9 28.5 92 93 A G T 3 S+ 0 0 30 16,-1.5 2,-0.3 17,-1.0 17,-0.3 0.918 93.1 134.8 57.8 62.8 107.8 -5.3 31.4 93 94 A R < - 0 0 60 -3,-0.6 15,-2.2 15,-0.4 -1,-0.2 -0.999 55.5-109.5-147.0 134.8 107.3 -3.1 34.5 94 95 A H E -L 107 0B 118 -2,-0.3 60,-1.4 13,-0.2 13,-0.3 -0.290 39.0-176.1 -59.0 144.7 105.7 -3.7 37.9 95 96 A V E -LM 106 153B 1 11,-2.9 11,-1.0 58,-0.3 2,-0.3 -0.705 24.8-128.1-133.1-164.8 102.5 -1.9 38.6 96 97 A N E -LM 105 152B 38 56,-1.4 56,-1.2 9,-0.2 2,-0.7 -0.888 18.4-148.3-153.8 95.4 100.0 -1.5 41.4 97 98 A V E -LM 104 151B 0 7,-2.5 7,-0.9 -2,-0.3 2,-0.6 -0.662 12.3-152.1 -88.7 110.2 96.4 -2.2 40.7 98 99 A V E +LM 103 150B 1 52,-2.0 52,-1.4 -2,-0.7 2,-0.2 -0.712 24.4 166.6 -87.5 120.8 94.2 -0.0 42.8 99 100 A T - 0 0 2 3,-0.9 46,-0.1 -2,-0.6 50,-0.0 -0.658 50.1 -99.7-118.1 178.7 90.8 -1.5 43.6 100 101 A E S S+ 0 0 143 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.977 124.7 52.0 -60.0 -62.3 87.9 -0.8 45.9 101 102 A K S S- 0 0 195 1,-0.2 -1,-0.2 43,-0.2 2,-0.2 0.742 125.8-110.9 -49.2 -20.3 89.0 -3.5 48.3 102 103 A G + 0 0 20 2,-0.0 -3,-0.9 -5,-0.0 -1,-0.2 -0.699 62.6 3.9 118.5-170.1 92.2 -1.6 48.1 103 104 A I E +L 98 0B 95 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.119 52.9 170.7 -63.9 147.3 95.7 -2.0 46.8 104 105 A L E -L 97 0B 22 -7,-0.9 -7,-2.5 2,-0.0 2,-0.3 -0.975 22.6-133.7-158.1 131.1 96.7 -5.1 44.8 105 106 A D E +L 96 0B 109 -2,-0.3 -9,-0.2 -9,-0.3 2,-0.2 -0.750 30.3 150.8-109.9 143.7 99.9 -5.6 42.9 106 107 A G E -L 95 0B 11 -11,-1.0 -11,-2.9 -2,-0.3 2,-0.3 -0.808 31.3-119.3-147.9-168.8 100.6 -6.9 39.5 107 108 A V E -LN 94 132B 43 25,-2.8 25,-2.9 -13,-0.3 2,-1.2 -0.980 9.1-150.4-149.9 125.4 103.1 -6.7 36.6 108 109 A I + 0 0 0 -15,-2.2 -16,-1.5 -2,-0.3 -15,-0.4 -0.261 51.4 147.6 -84.1 47.0 102.8 -5.7 32.9 109 110 A G + 0 0 16 -2,-1.2 -17,-1.0 -17,-0.3 -1,-0.2 0.947 1.3 144.6 -49.0 -74.9 105.6 -8.1 32.5 110 111 A A + 0 0 48 -3,-0.3 -18,-0.4 1,-0.1 -2,-0.1 0.887 21.5 150.1 30.6 83.5 104.8 -9.3 29.1 111 112 A T - 0 0 67 -20,-0.1 -1,-0.1 -19,-0.0 -2,-0.0 -0.398 36.8-159.7-140.5 65.8 108.4 -9.8 28.1 112 113 A P - 0 0 57 0, 0.0 4,-0.2 0, 0.0 8,-0.1 -0.241 33.3-149.4 -50.6 110.5 109.0 -12.5 25.6 113 114 A P - 0 0 118 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.887 33.1 -60.9 -67.6-115.0 112.7 -12.8 26.5 114 115 A H S S+ 0 0 154 1,-0.1 2,-1.3 5,-0.0 0, 0.0 0.786 118.7 67.7 -99.8 -45.2 115.7 -13.8 24.3 115 116 A L S S+ 0 0 131 2,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.434 73.9 85.2 -90.7 61.4 114.5 -17.3 23.4 116 117 A S - 0 0 50 -2,-1.3 0, 0.0 -3,-0.2 0, 0.0 -0.832 67.1-155.1-130.0 132.6 111.6 -16.7 21.2 117 118 A L S S+ 0 0 100 -2,-0.3 2,-1.0 1,-0.1 -2,-0.1 0.266 73.6 91.5 -98.5 8.8 113.0 -16.2 17.7 118 119 A E S S- 0 0 160 2,-0.0 2,-0.9 3,-0.0 -1,-0.1 -0.869 77.1-153.1 -86.7 92.5 110.1 -14.1 16.4 119 120 A R - 0 0 164 -2,-1.0 2,-1.2 1,-0.1 3,-0.1 -0.610 18.0-165.5 -79.9 100.1 111.9 -10.9 17.5 120 121 A D + 0 0 67 -2,-0.9 2,-0.4 1,-0.2 -1,-0.1 -0.064 27.3 161.7 -70.9 35.9 109.3 -8.2 18.2 121 122 A K + 0 0 190 -2,-1.2 2,-0.2 2,-0.0 -1,-0.2 0.380 46.1 81.0 -55.0 3.3 112.3 -5.8 18.1 122 123 A S S S- 0 0 102 -2,-0.4 2,-0.2 -3,-0.1 -2,-0.0 -0.583 102.6 -79.5 -93.6 169.4 110.0 -2.8 17.6 123 124 A V - 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0 0 0 -3,-1.9 -142,-1.6 -143,-0.1 2,-0.4 -0.283 28.4-158.3 -49.4 133.5 111.0 12.5 36.3 310 311 A T E +PR 166 302C 5 -8,-2.1 -8,-1.1 -144,-0.2 2,-0.3 -0.782 16.7 176.3-132.2 93.4 113.8 14.6 37.9 311 312 A L E -PR 165 301C 0 -146,-1.2 -146,-2.1 -2,-0.4 2,-0.4 -0.665 33.9-116.1 -91.8 149.0 113.3 17.9 39.6 312 313 A H E > -P 164 0C 24 -12,-0.6 4,-1.4 -2,-0.3 -148,-0.2 -0.679 19.5-137.4 -83.8 129.4 116.0 19.9 41.3 313 314 A L H > S+ 0 0 27 -150,-2.1 4,-1.2 -2,-0.4 -1,-0.1 0.689 97.8 55.3 -65.2 -21.4 115.4 20.2 45.0 314 315 A N H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.1 5,-0.4 0.956 101.0 55.6 -73.0 -50.6 116.4 23.9 45.2 315 316 A D H > S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.920 106.4 52.5 -48.6 -44.6 114.1 25.1 42.6 316 317 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 5,-0.3 0.943 109.3 51.2 -57.5 -44.7 111.3 23.6 44.5 317 318 A E H >X S+ 0 0 101 -4,-1.2 4,-2.0 -3,-0.2 3,-0.6 0.971 114.1 41.5 -50.8 -60.5 112.6 25.5 47.5 318 319 A K H 3< S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.7 62.0 -65.7 -24.2 112.7 28.8 45.8 319 320 A L H >X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.4 3,-0.6 0.872 107.6 40.2 -75.1 -37.1 109.4 28.3 44.0 320 321 A V H << S+ 0 0 7 -4,-1.8 4,-0.4 -3,-0.6 5,-0.3 0.904 110.6 61.9 -69.3 -39.9 107.3 28.1 47.2 321 322 A K T 3< S+ 0 0 145 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.579 115.9 32.5 -60.1 -8.2 109.5 30.9 48.4 322 323 A L T <4 S+ 0 0 0 -3,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.701 107.9 60.8-119.7 -36.3 108.0 32.8 45.5 323 324 A I S < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.1 0.258 114.2 44.2 -79.6 13.1 104.5 31.6 45.1 324 325 A E S >> S+ 0 0 31 -4,-0.4 3,-1.5 2,-0.1 4,-1.0 0.614 106.8 55.1-109.3 -65.7 104.1 32.9 48.6 325 326 A A T 34 S+ 0 0 12 -4,-0.4 -2,-0.2 -5,-0.3 -4,-0.1 0.233 109.5 54.4 -53.5 13.4 106.0 36.2 48.0 326 327 A L T 3> S+ 0 0 0 -2,-0.2 4,-1.0 2,-0.1 -1,-0.3 0.630 94.3 62.3-109.3 -41.2 103.4 36.5 45.3 327 328 A A T <4 S+ 0 0 0 -3,-1.5 -134,-0.3 1,-0.2 -2,-0.2 0.644 121.9 24.2 -69.0 -13.2 100.3 36.1 47.3 328 329 A F T < S+ 0 0 62 -4,-1.0 2,-0.3 -136,-0.1 -1,-0.2 0.754 122.4 44.7-100.6 -70.6 101.3 39.2 49.2 329 330 A E T 4 0 0 90 1,-0.2 -2,-0.2 -5,-0.2 -3,-0.1 0.224 360.0 360.0 -78.4 16.3 103.5 41.4 47.2 330 331 A L < 0 0 58 -4,-1.0 -1,-0.2 -2,-0.3 -4,-0.1 -0.261 360.0 360.0 -80.5 360.0 101.6 41.3 44.0