==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-OCT-11 4A3R . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.A.NEWMAN,L.HEWITT,C.RODRIGUES,A.S.SOLOVYOVA,C.R.HARWOOD,R. . 1712 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1285 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 124 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 561 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 3.0 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 4 4 0 4 8 0 4 4 4 6 2 0 4 0 4 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 15 5 8 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 . 12 3 3 5 8 0 0 0 4 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 . 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 117 0, 0.0 28,-0.9 0, 0.0 30,-0.4 0.000 360.0 360.0 360.0 -55.7 8.6 7.8 5.4 2 2 A P + 0 0 18 0, 0.0 82,-3.0 0, 0.0 2,-0.3 0.505 360.0 108.5 -83.5 -4.7 10.8 10.9 5.7 3 3 A Y B S-A 83 0A 107 80,-0.2 25,-2.0 81,-0.1 2,-0.3 -0.543 77.4-114.2 -81.9 138.3 11.1 10.1 9.5 4 4 A I E +B 27 0B 2 78,-2.4 77,-3.4 75,-0.4 23,-0.3 -0.501 36.2 170.2 -71.7 126.4 14.4 8.8 10.7 5 5 A V E + 0 0 63 21,-2.6 2,-0.3 -2,-0.3 22,-0.2 0.582 68.6 22.0-103.3 -20.1 14.3 5.3 12.0 6 6 A D E -B 26 0B 69 20,-1.8 20,-2.6 73,-0.1 2,-0.4 -0.948 47.4-177.1-157.3 130.2 18.0 4.8 12.4 7 7 A V E +B 25 0B 3 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.997 25.1 174.4-121.8 126.5 21.2 6.8 12.8 8 8 A Y E -B 24 0B 66 16,-2.8 16,-3.3 -2,-0.4 2,-0.3 -0.991 14.0-168.8-143.2 131.2 24.4 4.7 12.9 9 9 A A E +B 23 0B 1 -2,-0.4 2,-0.3 59,-0.3 14,-0.2 -0.813 6.1 176.2-114.8 159.2 28.2 5.3 13.0 10 10 A R E -B 22 0B 25 12,-1.8 12,-2.0 -2,-0.3 2,-0.5 -0.969 35.2-103.9-149.4 161.3 31.2 3.1 12.6 11 11 A E E +B 21 0B 11 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.776 47.2 162.1 -86.7 126.5 35.0 3.6 12.5 12 12 A V E -B 20 0B 2 8,-2.6 8,-2.7 -2,-0.5 2,-0.4 -0.684 34.9 -95.4-129.5-171.5 36.5 3.4 9.0 13 13 A L E -B 19 0B 1 6,-0.3 820,-0.1 816,-0.2 2,-0.1 -0.889 23.7-144.6-117.1 142.6 39.8 4.5 7.4 14 14 A D > - 0 0 0 4,-3.2 3,-1.9 -2,-0.4 358,-0.2 -0.277 44.0 -84.2 -91.5-177.5 40.8 7.7 5.5 15 15 A S T 3 S+ 0 0 0 356,-3.0 810,-3.4 1,-0.3 357,-0.1 0.604 126.1 51.8 -69.6 -11.4 43.2 8.0 2.5 16 16 A R T 3 S- 0 0 78 808,-0.2 -1,-0.3 355,-0.2 808,-0.1 0.239 122.0 -97.7-107.7 9.8 46.3 8.1 4.8 17 17 A G S < S+ 0 0 0 -3,-1.9 -2,-0.1 1,-0.3 599,-0.1 0.758 83.3 129.5 81.4 24.7 45.5 5.0 6.9 18 18 A N - 0 0 14 -4,-0.1 -4,-3.2 1,-0.0 -1,-0.3 -0.918 62.1-103.7-114.4 143.2 44.0 7.0 9.8 19 19 A P E +B 13 0B 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.180 43.7 170.0 -58.6 145.9 40.6 6.3 11.4 20 20 A T E -B 12 0B 0 -8,-2.7 -8,-2.6 19,-0.1 2,-0.4 -0.967 33.9 -89.6-150.9 172.7 37.6 8.5 10.6 21 21 A V E -B 11 0B 0 -2,-0.3 16,-2.7 -10,-0.2 2,-0.4 -0.672 29.7-173.8 -91.8 135.9 33.8 8.6 11.2 22 22 A E E -BC 10 36B 0 -12,-2.0 -12,-1.8 -2,-0.4 2,-0.4 -0.996 9.4-165.9-121.4 133.1 31.2 7.1 8.8 23 23 A V E -BC 9 35B 0 12,-3.0 12,-2.6 -2,-0.4 2,-0.4 -0.953 7.3-164.8-126.0 137.1 27.5 7.7 9.5 24 24 A E E -BC 8 34B 6 -16,-3.3 -16,-2.8 -2,-0.4 2,-0.4 -0.977 3.6-168.5-118.8 132.9 24.4 6.0 8.0 25 25 A V E -BC 7 33B 0 8,-2.5 8,-2.1 -2,-0.4 2,-0.4 -0.986 5.2-173.4-122.2 129.7 20.9 7.4 8.3 26 26 A Y E -BC 6 32B 80 -20,-2.6 -21,-2.6 -2,-0.4 -20,-1.8 -0.967 10.7-147.8-119.7 137.6 17.8 5.4 7.4 27 27 A T E > -B 4 0B 4 4,-2.2 3,-1.4 -2,-0.4 -23,-0.2 -0.448 35.8-100.4 -90.5 174.7 14.1 6.5 7.2 28 28 A E T 3 S+ 0 0 125 -25,-2.0 -24,-0.1 1,-0.3 -1,-0.1 0.827 125.3 48.8 -59.9 -33.4 11.0 4.5 8.0 29 29 A T T 3 S- 0 0 70 -28,-0.9 -1,-0.3 -26,-0.2 -3,-0.0 0.322 125.2 -99.7 -93.6 7.5 10.5 3.9 4.2 30 30 A G < + 0 0 51 -3,-1.4 -2,-0.1 1,-0.3 2,-0.1 0.514 64.9 156.4 89.3 4.4 14.2 2.8 3.6 31 31 A A - 0 0 6 -30,-0.4 -4,-2.2 1,-0.0 2,-0.4 -0.433 29.1-157.4 -57.9 141.4 15.6 6.1 2.2 32 32 A F E +C 26 0B 64 -6,-0.2 2,-0.4 88,-0.2 -6,-0.2 -0.982 25.1 177.1-139.4 132.0 19.3 5.9 2.9 33 33 A G E -C 25 0B 2 -8,-2.1 -8,-2.5 -2,-0.4 2,-0.4 -1.000 5.2-171.9-131.4 137.6 22.3 8.3 3.2 34 34 A R E -C 24 0B 79 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.991 9.0-179.8-125.7 125.2 26.0 7.4 4.0 35 35 A A E -C 23 0B 0 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.4 -0.964 12.1-158.6-124.9 143.5 28.5 10.1 4.8 36 36 A L E -C 22 0B 6 -2,-0.4 -14,-0.2 -14,-0.2 340,-0.1 -0.961 18.5-131.8-118.1 138.9 32.3 9.8 5.6 37 37 A V - 0 0 0 -16,-2.7 -16,-0.1 -2,-0.4 3,-0.1 -0.726 15.0-134.0 -95.6 134.3 34.2 12.6 7.4 38 38 A P - 0 0 9 0, 0.0 333,-0.2 0, 0.0 -17,-0.1 -0.373 41.5 -78.0 -78.2 165.7 37.6 13.9 6.2 39 39 A S + 0 0 12 331,-2.8 330,-0.2 1,-0.1 331,-0.1 -0.313 58.1 162.7 -69.5 144.6 40.5 14.5 8.6 40 40 A G - 0 0 20 328,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.281 38.2 -75.0-130.6-143.8 40.5 17.6 10.7 41 41 A A - 0 0 30 7,-0.4 9,-2.6 -2,-0.1 3,-0.0 -0.996 14.7-153.8-130.3 138.4 42.2 19.0 13.9 42 42 A S S S+ 0 0 62 -2,-0.4 2,-0.3 7,-0.3 7,-0.1 0.560 88.5 29.3 -83.9 -8.7 41.5 18.0 17.5 43 43 A T + 0 0 108 5,-0.1 2,-0.1 8,-0.0 7,-0.1 -0.959 62.7 125.6-146.3 160.8 42.7 21.4 18.6 44 44 A G > - 0 0 27 -2,-0.3 3,-1.2 3,-0.1 -3,-0.1 -0.201 54.0-122.2 143.2 118.8 42.8 24.9 17.1 45 45 A E T 3 S+ 0 0 164 1,-0.3 4,-0.1 -2,-0.1 -1,-0.0 0.653 104.4 31.0 -66.9 -18.4 41.4 28.0 18.8 46 46 A Y T 3 S+ 0 0 117 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.353 105.3 76.3-120.1 8.1 39.0 29.1 16.1 47 47 A E S < S- 0 0 34 -3,-1.2 296,-0.2 273,-0.0 295,-0.1 -0.852 86.7 -94.3-120.9 153.9 37.8 25.9 14.3 48 48 A A - 0 0 9 294,-2.4 2,-0.4 -2,-0.3 -7,-0.4 -0.399 49.3-130.1 -54.4 135.8 35.5 23.0 15.2 49 49 A V - 0 0 16 53,-2.8 59,-3.2 -7,-0.1 -7,-0.3 -0.811 6.0-136.0-100.0 135.4 37.6 20.3 16.8 50 50 A E - 0 0 15 -9,-2.6 2,-0.6 -2,-0.4 57,-0.1 -0.620 25.6-124.4 -77.0 142.4 37.5 16.6 15.7 51 51 A L - 0 0 42 -2,-0.3 2,-0.4 55,-0.1 16,-0.3 -0.825 30.1-177.4 -93.1 122.3 37.4 14.2 18.7 52 52 A R - 0 0 39 -2,-0.6 12,-0.2 -10,-0.1 10,-0.1 -0.942 30.1-132.2-116.7 146.6 40.2 11.6 18.8 53 53 A D - 0 0 46 10,-2.5 9,-0.2 -2,-0.4 3,-0.1 0.794 25.0-149.8 -66.2 -33.7 40.6 8.9 21.4 54 54 A G + 0 0 49 7,-2.2 2,-1.0 9,-0.3 8,-0.2 0.650 38.7 153.7 70.6 14.1 44.3 9.6 22.1 55 55 A D > - 0 0 73 6,-0.2 3,-2.0 3,-0.2 6,-1.5 -0.675 33.5-157.9 -79.1 104.3 44.9 6.0 23.0 56 56 A K T 3 S+ 0 0 150 -2,-1.0 4,-0.3 1,-0.3 -1,-0.2 0.691 88.1 57.5 -56.2 -24.5 48.6 5.6 22.1 57 57 A D T 3 S+ 0 0 115 1,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.163 102.8 60.9 -94.0 17.4 48.3 1.8 21.8 58 58 A R S X >S- 0 0 32 -3,-2.0 3,-1.4 5,-0.0 5,-0.8 -0.855 127.2 -26.1-148.9 109.4 45.6 2.0 19.1 59 59 A Y G > 5S- 0 0 7 -2,-0.3 3,-1.9 1,-0.3 -2,-0.1 0.822 112.6 -71.0 56.9 32.5 46.0 3.7 15.7 60 60 A L G 3 5S- 0 0 89 -4,-0.3 -1,-0.3 1,-0.3 -4,-0.2 0.825 96.1 -50.8 54.2 36.2 48.7 5.9 17.3 61 61 A G G < 5S+ 0 0 13 -6,-1.5 -7,-2.2 -3,-1.4 -1,-0.3 0.393 118.9 108.9 87.9 -0.8 46.1 7.8 19.3 62 62 A K T < 5 + 0 0 85 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.355 38.2 127.4 -98.5 8.2 44.0 8.5 16.2 63 63 A G < - 0 0 1 -5,-0.8 -10,-2.5 -8,-0.3 -9,-0.3 -0.166 45.3-156.4 -55.8 156.2 41.0 6.2 16.9 64 64 A V > + 0 0 0 -12,-0.2 4,-2.5 -44,-0.1 5,-0.2 -0.144 51.6 124.4-129.0 37.1 37.5 7.8 16.8 65 65 A L H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.864 74.8 53.6 -63.8 -39.1 35.6 5.3 19.0 66 66 A T H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.954 110.6 47.4 -61.3 -47.1 34.5 8.1 21.3 67 67 A A H > S+ 0 0 0 -16,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.909 112.7 47.7 -60.9 -45.8 33.1 10.0 18.3 68 68 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -59,-0.3 0.913 112.4 51.0 -60.8 -42.2 31.4 6.9 16.9 69 69 A N H X>S+ 0 0 68 -4,-2.8 4,-3.0 1,-0.2 5,-0.6 0.880 104.9 56.7 -59.5 -43.2 30.0 6.3 20.4 70 70 A N H X>S+ 0 0 20 -4,-2.7 5,-2.7 3,-0.2 4,-1.8 0.905 109.7 45.5 -56.2 -42.9 28.7 9.8 20.6 71 71 A V H <>S+ 0 0 0 -4,-1.8 5,-3.0 3,-0.2 -2,-0.2 0.955 118.6 40.3 -66.4 -51.2 26.7 9.3 17.4 72 72 A N H <5S+ 0 0 49 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.893 129.5 26.3 -65.7 -42.1 25.2 5.9 18.3 73 73 A E H <5S+ 0 0 127 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.693 134.6 22.1-102.6 -23.2 24.5 6.6 22.0 74 74 A I T X>> -A 3 0A 36 -80,-0.2 3,-2.1 1,-0.2 -80,-0.2 -0.636 28.5-143.0 -68.2 116.0 11.8 14.6 9.5 84 84 A V T 3 S+ 0 0 0 -82,-3.0 38,-0.3 -2,-0.6 -1,-0.2 0.705 95.3 60.8 -61.0 -18.6 14.9 13.8 7.5 85 85 A T T 3 S+ 0 0 47 1,-0.2 2,-2.2 -83,-0.1 -1,-0.3 0.532 73.6 95.1 -89.1 -7.4 14.4 17.0 5.3 86 86 A E <> + 0 0 89 -3,-2.1 4,-3.1 1,-0.2 5,-0.2 -0.399 47.8 160.1 -80.5 63.2 14.6 19.4 8.2 87 87 A Q H > S+ 0 0 22 -2,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.931 71.0 46.0 -55.6 -53.6 18.3 20.0 7.5 88 88 A N H > S+ 0 0 112 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.891 114.7 48.5 -55.6 -41.7 18.4 23.4 9.3 89 89 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 111.2 49.9 -71.5 -36.4 16.5 22.0 12.3 90 90 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.952 111.0 49.4 -63.0 -48.4 18.7 18.9 12.5 91 91 A D H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.858 110.2 50.3 -61.1 -36.3 21.9 21.1 12.4 92 92 A Q H X S+ 0 0 112 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.936 110.6 50.2 -67.8 -45.1 20.5 23.3 15.2 93 93 A L H X S+ 0 0 28 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.921 110.7 48.9 -55.5 -48.2 19.7 20.3 17.3 94 94 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.952 112.9 47.8 -57.1 -48.7 23.3 18.9 16.7 95 95 A I H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.910 115.0 45.5 -60.0 -43.5 24.8 22.2 17.7 96 96 A E H < S+ 0 0 127 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.907 107.0 58.0 -66.8 -44.6 22.6 22.5 20.8 97 97 A L H < S+ 0 0 48 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.7 42.3 -50.6 -47.3 23.2 18.9 21.9 98 98 A D H < S- 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.880 88.4-165.2 -70.3 -43.1 27.0 19.6 22.0 99 99 A G < + 0 0 65 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.1 0.484 47.7 102.5 75.1 5.0 26.5 23.0 23.6 100 100 A T S > S- 0 0 59 -5,-0.3 3,-0.7 1,-0.1 -1,-0.2 -0.838 75.8-120.4-119.4 158.0 30.0 24.3 23.0 101 101 A E T 3 S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.928 111.2 36.5 -57.2 -51.0 31.5 26.8 20.4 102 102 A N T 3 S- 0 0 66 -54,-0.1 -53,-2.8 -55,-0.1 6,-0.2 0.232 106.2-116.2 -96.5 13.7 33.9 24.4 18.8 103 103 A K <> + 0 0 9 -3,-0.7 4,-1.5 -55,-0.2 8,-0.2 0.811 66.7 143.6 59.8 33.8 31.8 21.2 18.9 104 104 A G T 4 + 0 0 29 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.499 57.1 59.9 -87.8 -5.0 34.4 19.6 21.2 105 105 A K T 4 S+ 0 0 131 2,-0.1 -1,-0.1 -7,-0.0 -6,-0.1 0.943 124.4 17.0 -81.8 -59.8 32.0 17.6 23.4 106 106 A L T 4 S- 0 0 2 -12,-0.1 4,-0.3 1,-0.1 -2,-0.2 0.749 117.5-111.7 -80.7 -27.1 30.5 15.4 20.7 107 107 A G X - 0 0 0 -4,-1.5 4,-2.0 2,-0.1 -57,-0.2 0.276 9.5-109.5 100.3 130.6 33.2 16.1 18.2 108 108 A A H > S+ 0 0 2 -59,-3.2 4,-2.3 -6,-0.2 5,-0.2 0.814 120.5 56.1 -56.2 -29.7 33.1 18.0 14.9 109 109 A N H > S+ 0 0 3 -60,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.848 105.3 47.7 -80.3 -35.1 33.5 14.7 13.2 110 110 A A H > S+ 0 0 0 -4,-0.3 4,-1.8 -3,-0.2 -2,-0.2 0.930 115.8 46.5 -60.4 -47.0 30.4 13.1 14.8 111 111 A I H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.937 112.4 45.8 -68.1 -51.9 28.3 16.1 14.0 112 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.891 109.4 58.4 -55.5 -41.9 29.3 16.6 10.4 113 113 A G H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.926 113.3 37.5 -55.1 -46.8 28.9 12.9 9.8 114 114 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.945 114.8 55.1 -70.1 -46.6 25.3 13.1 10.9 115 115 A S H X S+ 0 0 0 -4,-3.3 4,-1.4 229,-0.2 -2,-0.2 0.902 115.6 38.2 -54.0 -47.0 24.7 16.5 9.2 116 116 A M H X S+ 0 0 4 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.888 112.2 56.0 -74.2 -40.1 25.9 15.1 5.9 117 117 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -92,-0.2 0.875 107.4 50.7 -62.7 -36.0 24.3 11.7 6.2 118 118 A C H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.937 109.1 50.4 -65.1 -46.2 20.8 13.3 6.8 119 119 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.922 112.7 47.0 -56.6 -44.7 21.2 15.5 3.7 120 120 A R H X S+ 0 0 71 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 112.8 48.5 -67.2 -39.9 22.1 12.5 1.6 121 121 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.896 110.9 52.4 -65.5 -36.4 19.2 10.5 3.0 122 122 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 -38,-0.3 -2,-0.2 0.905 109.3 47.4 -65.8 -41.6 16.9 13.4 2.3 123 123 A A H X>S+ 0 0 5 -4,-2.3 5,-2.2 1,-0.2 4,-0.5 0.906 114.3 48.2 -68.2 -37.6 18.0 13.6 -1.3 124 124 A D H ><5S+ 0 0 61 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.904 110.6 51.7 -63.9 -43.4 17.5 9.9 -1.6 125 125 A F H 3<5S+ 0 0 49 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.4 40.1 -61.2 -39.7 14.1 10.1 0.0 126 126 A L H 3<5S- 0 0 86 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.506 108.3-129.2 -86.4 -4.7 13.0 12.9 -2.4 127 127 A Q T <<5 + 0 0 148 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.907 64.4 123.8 51.5 51.3 14.7 11.0 -5.3 128 128 A I S > - 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0 0 23 -3,-1.5 4,-2.6 1,-0.1 3,-0.4 -0.963 50.0-151.1-125.9 115.1 34.9 30.8 10.5 321 321 A T H > S+ 0 0 51 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.740 98.0 55.1 -60.6 -27.4 32.3 33.5 9.9 322 322 A K H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.929 111.9 44.0 -69.1 -43.7 33.7 35.8 12.6 323 323 A K H > S+ 0 0 24 -3,-0.4 4,-2.2 -6,-0.3 -2,-0.2 0.926 114.7 50.6 -62.7 -42.1 37.1 35.7 10.9 324 324 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -7,-0.3 -2,-0.2 0.914 109.6 48.1 -64.2 -46.0 35.5 36.1 7.5 325 325 A S H X S+ 0 0 56 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.866 109.3 55.2 -68.4 -30.6 33.4 39.2 8.5 326 326 A E H X S+ 0 0 87 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.926 111.2 44.1 -63.7 -44.9 36.6 40.7 10.0 327 327 A G H <>S+ 0 0 0 -4,-2.2 5,-3.6 2,-0.2 4,-0.2 0.950 113.7 49.5 -61.3 -50.2 38.4 40.3 6.7 328 328 A I H ><5S+ 0 0 54 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.942 113.9 46.7 -52.4 -50.0 35.5 41.6 4.6 329 329 A K H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 115.8 44.0 -65.5 -31.8 35.2 44.6 6.9 330 330 A N T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.162 115.9-108.2-103.9 19.5 38.9 45.4 6.9 331 331 A G T < 5 + 0 0 33 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.2 0.829 66.3 155.9 59.0 35.7 39.4 44.9 3.2 332 332 A V < - 0 0 2 -5,-3.6 -1,-0.2 -6,-0.2 -33,-0.1 -0.837 50.7 -27.5-102.5 124.4 41.3 41.6 3.8 333 333 A G - 0 0 7 -2,-0.5 -21,-0.2 -35,-0.5 3,-0.1 0.013 51.2-129.0 67.8 177.8 41.4 39.0 1.0 334 334 A N S S+ 0 0 13 -23,-1.9 28,-1.4 1,-0.3 2,-0.3 0.010 83.1 43.5-148.7 29.3 38.8 38.4 -1.7 335 335 A S E -mn 312 362D 0 -24,-0.7 -22,-2.3 26,-0.3 2,-0.4 -0.938 61.1-150.8-173.2 145.4 38.3 34.7 -1.3 336 336 A I E -mn 313 363D 1 26,-2.4 28,-2.5 -2,-0.3 2,-0.5 -0.986 18.3-130.2-131.2 138.7 37.8 32.0 1.4 337 337 A L E - n 0 364D 1 -24,-2.3 2,-0.7 -2,-0.4 -18,-0.5 -0.765 26.7-147.4 -85.5 126.4 38.7 28.4 1.5 338 338 A I E + n 0 365D 2 26,-3.3 28,-2.5 -2,-0.5 2,-0.6 -0.865 20.4 176.3-105.5 110.8 35.7 26.4 2.6 339 339 A K >> - 0 0 22 -2,-0.7 3,-1.2 26,-0.2 4,-0.8 -0.941 17.3-157.4-113.2 112.9 36.3 23.2 4.6 340 340 A V H >> S+ 0 0 6 -2,-0.6 4,-3.1 26,-0.4 3,-0.7 0.844 92.1 51.1 -57.9 -37.5 33.0 21.6 5.8 341 341 A N H 34 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.2 -229,-0.1 0.693 100.9 62.5 -80.2 -12.9 34.6 19.7 8.7 342 342 A Q H <4 S+ 0 0 7 -3,-1.2 -294,-2.4 1,-0.1 -1,-0.2 0.676 116.8 30.5 -81.2 -20.1 36.3 22.8 10.0 343 343 A I H << S- 0 0 21 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.727 100.7-142.3-104.2 -39.5 32.9 24.4 10.6 344 344 A G < + 0 0 0 -4,-3.1 2,-0.3 -5,-0.2 -229,-0.2 0.270 63.1 63.3 104.1 -14.0 31.0 21.1 11.3 345 345 A T > - 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