==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-DEC-03 1VHO . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR STRUCTURAL GENOMIX . 319 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 16.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 2 0.6 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 21.3 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 2 1 0 0 0 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 1 2 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A X 0 0 106 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-171.0 58.6 13.6 -3.5 2 4 A E > - 0 0 153 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.550 360.0-124.9 -67.8 145.8 54.9 14.2 -3.6 3 5 A T H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 109.8 53.1 -61.6 -39.6 53.9 17.5 -1.9 4 6 A G H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 110.9 46.2 -63.2 -45.3 51.4 15.7 0.4 5 7 A K H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 110.9 52.3 -64.6 -39.7 54.1 13.3 1.6 6 8 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.887 110.5 49.2 -61.1 -45.2 56.7 16.0 2.1 7 9 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.895 110.4 49.7 -62.7 -44.2 54.2 17.9 4.2 8 10 A X H X S+ 0 0 27 -4,-2.4 4,-2.6 2,-0.2 140,-0.3 0.932 111.8 48.4 -62.0 -38.7 53.4 14.8 6.4 9 11 A E H X S+ 0 0 58 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.921 112.9 47.6 -68.5 -38.4 57.1 14.1 6.9 10 12 A L H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.905 112.5 50.0 -68.6 -40.1 57.7 17.8 7.9 11 13 A S H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.901 109.1 51.6 -63.7 -41.0 54.8 17.8 10.3 12 14 A N H < S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.750 89.1 94.0 -70.7 -31.6 55.8 14.5 12.0 13 15 A L S < S- 0 0 30 -4,-1.4 2,-0.6 -3,-0.3 10,-0.1 -0.332 76.1-127.1 -57.8 149.8 59.4 15.7 12.7 14 16 A D + 0 0 17 1,-0.0 8,-0.3 129,-0.0 9,-0.2 -0.885 45.0 146.4-107.4 118.5 60.0 17.2 16.2 15 17 A G - 0 0 0 -2,-0.6 51,-1.1 7,-0.1 5,-0.2 -0.566 21.3-177.7-144.8 65.3 61.6 20.6 16.4 16 18 A P B > -a 66 0A 5 0, 0.0 3,-2.6 0, 0.0 51,-0.2 -0.379 52.4 -66.7 -62.8 152.6 60.1 22.5 19.4 17 19 A S T 3 S+ 0 0 16 49,-1.6 174,-0.0 1,-0.3 51,-0.0 -0.186 127.0 17.2 -45.0 130.7 61.4 26.0 19.9 18 20 A G T 3 S+ 0 0 24 -3,-0.1 -1,-0.3 25,-0.1 3,-0.1 0.238 121.4 64.2 92.5 -19.0 65.1 25.9 20.8 19 21 A Y < + 0 0 129 -3,-2.6 3,-0.4 1,-0.1 4,-0.2 -0.298 55.7 131.6-132.4 48.3 65.6 22.3 19.7 20 22 A E >> + 0 0 8 -5,-0.2 4,-2.2 1,-0.2 3,-1.0 0.484 34.5 110.4 -86.7 11.3 65.0 22.5 15.9 21 23 A T H 3> S+ 0 0 114 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.783 74.8 49.2 -56.7 -45.4 68.1 20.6 14.8 22 24 A N H 3> S+ 0 0 101 -3,-0.4 4,-1.6 -8,-0.3 -1,-0.3 0.824 111.5 49.5 -64.4 -37.4 66.4 17.4 13.6 23 25 A V H <> S+ 0 0 0 -3,-1.0 4,-2.5 -9,-0.2 -2,-0.2 0.906 113.0 47.5 -66.3 -44.5 63.9 19.4 11.4 24 26 A V H X S+ 0 0 11 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.899 108.7 54.8 -63.3 -37.8 66.8 21.5 9.9 25 27 A S H X S+ 0 0 69 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.921 109.9 47.3 -63.3 -39.9 68.8 18.3 9.3 26 28 A Y H X S+ 0 0 42 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.946 113.7 46.1 -64.6 -48.0 65.9 16.9 7.3 27 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.928 109.4 56.0 -62.8 -41.2 65.4 20.1 5.3 28 30 A K H X S+ 0 0 73 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.930 109.7 46.9 -55.5 -43.8 69.1 20.3 4.6 29 31 A S H < S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.856 112.5 46.8 -69.0 -35.8 69.1 16.8 3.1 30 32 A V H < S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 115.9 45.3 -78.8 -27.3 66.0 17.3 0.9 31 33 A I H >< S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.2 4,-0.4 0.639 88.0 91.4 -87.1 -15.4 67.3 20.7 -0.5 32 34 A E G >< S+ 0 0 107 -4,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.849 82.5 52.3 -44.7 -47.6 70.8 19.6 -1.1 33 35 A P G 3 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.596 113.8 46.7 -69.2 -6.9 70.3 18.4 -4.7 34 36 A F G < S+ 0 0 50 -3,-2.4 2,-0.3 -4,-0.0 -2,-0.2 0.265 100.7 69.5-119.5 3.6 68.8 21.8 -5.5 35 37 A V < - 0 0 21 -3,-1.0 15,-0.2 -4,-0.4 3,-0.1 -0.931 65.6-140.2-123.2 156.4 71.1 24.4 -4.0 36 38 A D S S- 0 0 99 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.837 91.3 -13.4 -76.3 -36.3 74.7 25.6 -4.8 37 39 A E E -B 49 0B 84 12,-1.6 12,-3.6 -3,-0.1 2,-0.4 -0.984 55.8-151.2-158.9 164.2 75.3 25.7 -1.0 38 40 A A E -B 48 0B 28 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.986 16.0-171.2-143.9 123.3 73.6 25.6 2.3 39 41 A K E -B 47 0B 89 8,-2.1 8,-2.7 -2,-0.4 2,-0.3 -0.944 13.5-141.5-118.7 150.4 74.9 27.2 5.5 40 42 A T E -B 46 0B 73 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.796 17.1-134.2-105.8 141.5 73.8 27.0 9.1 41 43 A T > - 0 0 10 4,-2.2 3,-0.7 -2,-0.3 163,-0.1 -0.378 33.0-100.9 -82.7 180.0 73.8 30.0 11.4 42 44 A R T 3 S+ 0 0 220 1,-0.2 -1,-0.1 161,-0.2 162,-0.0 0.753 125.7 51.4 -73.5 -22.8 75.2 29.9 15.0 43 45 A H T 3 S- 0 0 57 157,-0.1 -1,-0.2 148,-0.0 150,-0.2 0.550 126.6 -99.1 -87.8 -11.2 71.6 29.6 16.3 44 46 A G S < S+ 0 0 24 -3,-0.7 -2,-0.1 1,-0.3 -20,-0.1 0.483 71.6 144.5 106.9 11.4 70.8 26.7 13.9 45 47 A S - 0 0 0 146,-0.1 -4,-2.2 155,-0.1 2,-0.4 -0.335 40.4-137.2 -77.5 156.1 68.9 28.4 11.0 46 48 A L E -BC 40 189B 0 143,-2.1 143,-3.0 -6,-0.2 2,-0.5 -0.973 15.1-169.0-120.2 130.0 69.5 27.0 7.5 47 49 A I E -BC 39 188B 0 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.4 -0.983 8.2-157.5-118.6 116.0 70.0 29.2 4.4 48 50 A G E -BC 38 187B 0 139,-3.0 139,-2.8 -2,-0.5 2,-0.5 -0.847 10.8-155.3 -89.8 136.7 69.9 27.5 1.0 49 51 A Y E +BC 37 186B 28 -12,-3.6 -13,-2.7 -2,-0.4 -12,-1.6 -0.950 14.4 179.9-120.1 122.5 71.7 29.4 -1.8 50 52 A K E - C 0 185B 22 135,-2.8 135,-3.2 -2,-0.5 2,-0.1 -0.964 22.4-139.7-122.9 109.2 70.8 29.0 -5.4 51 53 A K + 0 0 126 -2,-0.5 133,-0.1 133,-0.2 2,-0.1 -0.459 24.3 175.0 -69.6 139.6 72.9 31.2 -7.8 52 54 A G - 0 0 16 130,-0.2 131,-0.2 -2,-0.1 132,-0.2 -0.072 58.6 -61.8-114.8-137.0 71.1 32.8 -10.7 53 55 A K S S- 0 0 128 129,-0.6 130,-0.2 128,-0.5 131,-0.1 0.335 72.9-108.7 -97.6 2.8 72.6 35.2 -13.3 54 56 A G S S+ 0 0 47 128,-0.5 129,-0.2 2,-0.2 3,-0.1 0.548 74.1 136.2 83.9 19.4 73.4 37.8 -10.6 55 57 A I S S- 0 0 80 127,-1.6 2,-0.3 1,-0.1 128,-0.2 0.645 80.2 -48.0 -73.0 -11.8 70.8 40.5 -11.4 56 58 A G - 0 0 9 126,-0.4 128,-2.7 2,-0.1 2,-0.5 -0.922 63.8 -82.8 165.5-178.4 70.0 40.9 -7.7 57 59 A K E -d 184 0B 54 -2,-0.3 153,-2.2 151,-0.2 154,-1.3 -0.958 30.0-171.1-123.7 126.0 69.2 38.9 -4.5 58 60 A L E -de 185 211B 0 126,-2.6 128,-2.6 -2,-0.5 2,-0.4 -0.958 9.0-161.3-113.4 132.1 65.8 37.6 -3.6 59 61 A A E -de 186 212B 0 152,-2.2 154,-2.6 -2,-0.4 2,-0.4 -0.961 5.6-166.5-120.2 135.8 65.2 36.1 -0.1 60 62 A F E -de 187 213B 0 126,-2.6 128,-3.4 -2,-0.4 2,-0.4 -0.959 14.8-162.0-117.4 135.7 62.4 33.8 0.9 61 63 A F E +de 188 214B 3 152,-2.1 154,-2.7 -2,-0.4 2,-0.3 -0.963 16.0 167.6-128.5 146.3 61.8 33.2 4.6 62 64 A A E -d 189 0B 5 126,-2.7 128,-2.6 -2,-0.4 2,-0.2 -0.985 30.2-124.4-150.2 145.9 59.9 30.6 6.8 63 65 A H E -d 190 0B 44 -2,-0.3 103,-0.2 152,-0.3 128,-0.2 -0.594 18.1-167.2 -82.8 162.6 59.9 29.7 10.5 64 66 A V + 0 0 0 126,-1.7 127,-0.1 -2,-0.2 98,-0.1 0.626 47.0 96.2-126.3 -17.7 60.6 26.1 11.4 65 67 A D - 0 0 24 125,-0.4 2,-0.3 97,-0.1 98,-0.2 -0.006 47.4-158.6 -76.2 177.3 59.7 25.5 15.1 66 68 A E B -a 16 0A 11 -51,-1.1 -49,-1.6 96,-0.1 -2,-0.0 -0.949 36.3 -75.9-142.9 168.9 56.6 24.1 16.8 67 69 A I + 0 0 90 -2,-0.3 77,-0.5 -51,-0.2 2,-0.3 -0.244 53.0 169.6 -71.0 151.8 55.2 24.4 20.3 68 70 A G - 0 0 3 16,-0.3 16,-2.4 75,-0.1 2,-0.3 -0.954 21.7-141.7-153.0 169.4 56.8 22.4 23.1 69 71 A F E -IJ 83 142C 10 73,-2.2 73,-3.0 -2,-0.3 2,-0.4 -0.954 7.7-145.8-135.2 153.7 56.7 22.1 26.8 70 72 A V E -IJ 82 141C 37 12,-2.7 12,-2.5 -2,-0.3 2,-0.6 -0.951 27.5-114.5-120.0 142.9 59.3 21.4 29.5 71 73 A V E +I 81 0C 1 69,-2.4 68,-2.7 -2,-0.4 10,-0.2 -0.699 39.4 173.9 -73.0 117.1 58.8 19.4 32.7 72 74 A S E + 0 0 39 8,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.641 60.1 16.6-100.6 -18.8 59.2 22.1 35.3 73 75 A K E -I 80 0C 54 7,-1.1 7,-3.0 64,-0.1 2,-0.5 -0.983 51.2-160.4-157.9 136.7 58.3 20.2 38.4 74 76 A V E +I 79 0C 66 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.954 26.7 165.2-118.4 97.9 57.9 16.6 39.5 75 77 A E E > -I 78 0C 97 3,-2.5 3,-2.2 -2,-0.5 2,-0.1 -0.966 59.9 -43.8-121.0 122.0 55.8 16.4 42.7 76 78 A G T 3 S- 0 0 76 -2,-0.5 53,-0.0 1,-0.3 42,-0.0 -0.429 121.5 -26.6 62.2-136.7 54.2 13.2 43.9 77 79 A Q T 3 S+ 0 0 90 -2,-0.1 52,-3.0 -3,-0.1 2,-0.5 0.421 122.9 89.4 -89.9 7.2 52.8 11.4 40.9 78 80 A F E < -IK 75 128C 18 -3,-2.2 -3,-2.5 50,-0.2 2,-0.5 -0.868 55.8-163.2-113.6 125.2 52.2 14.6 38.9 79 81 A A E -IK 74 127C 0 48,-2.5 48,-1.9 -2,-0.5 2,-0.3 -0.889 17.5-142.1 -99.2 131.8 54.7 16.2 36.5 80 82 A R E -IK 73 126C 69 -7,-3.0 -8,-2.3 -2,-0.5 -7,-1.1 -0.734 11.8-153.2 -93.5 139.1 53.9 19.8 35.6 81 83 A L E -I 71 0C 3 44,-3.0 44,-0.5 -2,-0.3 -10,-0.2 -0.950 7.0-166.8-114.9 137.0 54.6 21.1 32.1 82 84 A E E -I 70 0C 94 -12,-2.5 -12,-2.7 -2,-0.4 42,-0.0 -0.952 30.7-105.7-118.6 138.6 55.4 24.7 31.1 83 85 A P E I 69 0C 95 0, 0.0 -14,-0.3 0, 0.0 -16,-0.0 -0.208 360.0 360.0 -58.2 146.6 55.3 26.0 27.5 84 86 A V 0 0 71 -16,-2.4 -16,-0.3 -15,-0.0 -67,-0.1 -0.730 360.0 360.0 -95.2 360.0 58.7 26.6 26.0 85 ! 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 86 95 A Y 0 0 183 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -79.9 45.4 23.0 22.3 87 96 A A + 0 0 9 1,-0.1 3,-0.1 209,-0.1 15,-0.0 -0.960 360.0 149.6-128.6 136.5 47.3 19.9 23.3 88 97 A S + 0 0 66 1,-0.5 15,-3.1 -2,-0.4 2,-0.3 0.435 68.7 45.2-125.8 -72.5 46.0 16.5 24.6 89 98 A K E S+L 102 0C 120 13,-0.2 56,-2.5 56,-0.1 -1,-0.5 -0.515 71.6 179.6 -77.1 134.6 48.4 13.7 23.5 90 99 A V E -LM 101 144C 0 11,-2.9 11,-2.5 -2,-0.3 2,-0.4 -0.898 22.3-148.8-133.2 152.0 52.0 14.5 24.1 91 100 A R E -LM 100 143C 24 52,-2.4 52,-2.1 -2,-0.3 2,-0.5 -0.999 18.4-155.4-122.2 131.8 55.3 12.7 23.6 92 101 A I E -LM 99 142C 4 7,-4.0 7,-2.8 -2,-0.4 2,-0.6 -0.931 12.0-134.7-117.9 128.8 58.2 13.4 26.0 93 102 A Y E +LM 98 141C 93 48,-3.0 48,-0.6 -2,-0.5 2,-0.3 -0.697 36.9 167.4 -78.3 120.6 61.9 13.0 25.3 94 103 A T E > -L 97 0C 19 3,-2.9 3,-1.3 -2,-0.6 42,-0.1 -0.776 53.3 -96.8-123.9 175.4 63.5 11.3 28.3 95 104 A K T 3 S+ 0 0 133 1,-0.3 3,-0.1 -2,-0.3 41,-0.1 0.751 124.7 49.2 -62.9 -22.4 66.9 9.7 29.0 96 105 A N T 3 S- 0 0 59 1,-0.3 2,-0.3 39,-0.2 -1,-0.3 0.445 124.7 -85.0 -97.4 -4.3 65.3 6.4 28.3 97 106 A G E < S-L 94 0C 39 -3,-1.3 -3,-2.9 2,-0.0 2,-0.4 -0.934 74.8 -26.2 135.4-153.0 63.5 7.2 25.0 98 107 A I E -L 93 0C 63 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.817 52.0-161.0-101.9 130.6 60.2 8.8 24.2 99 108 A E E -L 92 0C 15 -7,-2.8 -7,-4.0 -2,-0.4 2,-0.4 -0.900 9.8-149.8-108.2 140.7 57.3 8.5 26.8 100 109 A R E +L 91 0C 151 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.917 27.7 143.4-112.4 138.2 53.7 9.1 25.6 101 110 A G E -L 90 0C 26 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.4 -0.911 43.3-103.8-158.0-177.3 50.9 10.5 27.7 102 111 A V E > -L 89 0C 42 -2,-0.3 3,-1.7 -13,-0.2 26,-0.3 -0.988 36.4-114.7-124.6 124.2 47.8 12.7 27.8 103 112 A I T 3 S+ 0 0 23 -15,-3.1 24,-0.2 -2,-0.4 3,-0.1 -0.307 98.0 3.2 -58.9 128.2 47.8 16.1 29.3 104 113 A G T 3 S+ 0 0 36 22,-3.1 2,-0.5 1,-0.2 -1,-0.3 0.413 92.6 137.1 77.4 1.0 45.5 16.3 32.4 105 114 A X < - 0 0 86 -3,-1.7 23,-0.6 21,-0.3 2,-0.3 -0.660 41.0-150.6 -82.5 130.3 44.6 12.6 32.3 106 115 A L - 0 0 61 -2,-0.5 3,-0.1 -3,-0.1 -3,-0.0 -0.717 21.0-112.8 -96.6 146.7 44.6 10.8 35.7 107 116 A A - 0 0 14 -2,-0.3 -1,-0.1 1,-0.2 24,-0.0 -0.382 58.9 -74.0 -67.4 147.4 45.4 7.1 36.1 108 117 A P S S+ 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.272 75.7 147.9 -46.4 123.9 42.2 5.2 37.3 109 118 A H - 0 0 118 -3,-0.1 2,-0.9 2,-0.0 -3,-0.0 -0.917 50.5-127.1-162.7 132.5 41.7 6.1 40.9 110 119 A L - 0 0 160 -2,-0.3 5,-0.1 1,-0.0 2,-0.1 -0.799 40.0-140.1 -82.4 105.3 38.5 6.4 43.1 111 120 A Q - 0 0 48 -2,-0.9 2,-0.3 4,-0.1 -2,-0.0 -0.378 22.8-176.8 -71.6 148.0 39.1 9.9 44.6 112 121 A D > - 0 0 87 -2,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.792 48.7 -83.7-128.7 177.6 38.3 10.7 48.2 113 122 A S H > S+ 0 0 82 -2,-0.3 4,-0.8 1,-0.2 -2,-0.0 0.872 127.8 42.5 -59.0 -33.5 38.6 14.1 50.1 114 123 A E H >> S+ 0 0 115 2,-0.2 3,-0.5 1,-0.2 4,-0.5 0.929 114.6 46.1 -77.8 -46.6 42.3 13.6 50.8 115 124 A S H >4 S+ 0 0 25 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.875 106.3 62.9 -62.1 -34.9 43.5 12.2 47.4 116 125 A R H >< S+ 0 0 149 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.867 94.5 61.5 -58.8 -31.9 41.4 15.0 45.7 117 126 A K H << S+ 0 0 147 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.707 99.3 54.6 -67.9 -25.7 43.7 17.7 47.4 118 127 A K T << S+ 0 0 88 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.546 81.9 106.3 -85.5 -9.9 46.8 16.4 45.6 119 128 A V S < S- 0 0 40 -3,-1.2 3,-0.1 -4,-0.5 -13,-0.0 -0.570 84.3 -99.8 -74.7 128.6 45.3 16.7 42.1 120 129 A P - 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