==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-FEB-10 3AEX . COMPND 2 MOLECULE: THREONINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.MURAKAWA,Y.MACHIDA,H.HAYASHI . 702 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 52 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 5 1 0 4 0 2 2 2 0 2 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 0 7 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 . 4 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 116 0, 0.0 382,-0.1 0, 0.0 525,-0.1 0.000 360.0 360.0 360.0 88.1 -47.5 -15.2 7.4 2 2 A R - 0 0 65 1,-0.1 381,-0.1 380,-0.1 23,-0.0 0.920 360.0-128.7 57.6 103.8 -50.2 -12.8 6.0 3 3 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.498 18.6-108.5 -83.5 147.2 -53.3 -14.7 4.9 4 4 A P >> - 0 0 28 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.179 40.6 -98.2 -64.0 165.1 -55.0 -14.4 1.5 5 5 A L H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.901 124.0 59.7 -54.3 -44.5 -58.4 -12.6 1.4 6 6 A I H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 6,-0.2 0.882 108.3 46.3 -51.8 -40.7 -60.3 -15.9 1.5 7 7 A E H X4 S+ 0 0 71 -3,-0.6 3,-1.1 2,-0.2 4,-0.2 0.889 104.1 58.9 -72.0 -40.5 -58.6 -16.6 4.8 8 8 A R H 3< S+ 0 0 69 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.902 125.9 21.4 -56.4 -38.2 -59.3 -13.2 6.4 9 9 A Y T >< S+ 0 0 6 -4,-1.9 3,-2.0 1,-0.1 4,-0.4 -0.016 80.5 135.2-121.1 32.8 -63.0 -13.8 5.8 10 10 A R G X S+ 0 0 75 -3,-1.1 3,-1.3 1,-0.3 5,-0.4 0.830 71.2 56.6 -47.3 -44.4 -63.2 -17.6 5.6 11 11 A N G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.670 110.5 45.2 -65.2 -18.4 -66.3 -17.9 7.9 12 12 A L G < S+ 0 0 36 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.287 103.4 79.2-108.6 8.0 -68.3 -15.5 5.6 13 13 A L S < S- 0 0 15 -3,-1.3 2,-2.3 -4,-0.4 146,-0.0 -0.846 87.8-109.2-119.3 155.3 -67.3 -17.0 2.3 14 14 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.400 80.0 112.0 -77.6 62.6 -68.5 -20.1 0.3 15 15 A V + 0 0 22 -2,-2.3 2,-0.2 -5,-0.4 -2,-0.1 -0.942 39.6 179.9-134.1 158.1 -65.3 -22.1 1.0 16 16 A S > - 0 0 31 -2,-0.3 3,-1.8 4,-0.0 -6,-0.0 -0.808 53.8 -75.8-143.2-176.7 -64.2 -25.2 2.9 17 17 A E T 3 S+ 0 0 162 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.682 128.9 60.0 -60.4 -16.1 -61.2 -27.3 3.7 18 18 A K T 3 S+ 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.718 80.6 100.7 -84.4 -21.9 -61.6 -28.6 0.2 19 19 A T < - 0 0 9 -3,-1.8 2,-0.4 1,-0.1 52,-0.1 -0.480 69.9-139.1 -69.8 118.5 -61.3 -25.2 -1.5 20 20 A P - 0 0 45 0, 0.0 2,-0.9 0, 0.0 54,-0.2 -0.670 22.1-127.2 -78.5 128.9 -57.8 -24.7 -3.0 21 21 A V - 0 0 50 -2,-0.4 2,-0.9 50,-0.0 46,-0.1 -0.679 25.2-174.8 -86.6 104.6 -56.7 -21.1 -2.3 22 22 A I + 0 0 21 -2,-0.9 2,-0.3 44,-0.4 48,-0.3 -0.849 27.8 154.6 -95.7 102.8 -55.6 -19.2 -5.4 23 23 A S - 0 0 11 -2,-0.9 -2,-0.0 75,-0.1 39,-0.0 -0.976 45.5-170.1-138.0 148.9 -54.4 -15.9 -4.0 24 24 A L S S- 0 0 0 -2,-0.3 360,-0.1 38,-0.1 -1,-0.1 -0.005 71.1 -91.9-120.2 24.5 -52.0 -13.1 -4.9 25 25 A L S S+ 0 0 14 1,-0.1 2,-0.1 30,-0.1 -2,-0.1 0.957 71.9 169.3 61.3 56.5 -52.4 -11.6 -1.4 26 26 A E + 0 0 2 36,-0.1 -21,-0.2 29,-0.1 -1,-0.1 -0.347 30.5 36.8 -90.6 171.6 -55.3 -9.3 -2.5 27 27 A G + 0 0 2 -2,-0.1 140,-0.0 25,-0.1 -22,-0.0 -0.253 63.2 97.4 79.4-171.2 -57.6 -7.2 -0.3 28 28 A S + 0 0 8 1,-0.2 -1,-0.1 -23,-0.0 139,-0.0 0.914 60.9 172.1 52.2 45.5 -56.7 -5.3 2.9 29 29 A T - 0 0 2 1,-0.1 -1,-0.2 324,-0.1 325,-0.1 -0.503 37.4 -84.7 -84.6 154.4 -56.3 -2.1 0.8 30 30 A P - 0 0 1 0, 0.0 21,-2.2 0, 0.0 2,-0.7 -0.206 24.8-151.7 -60.1 143.3 -55.7 1.4 2.3 31 31 A L E -A 50 0A 4 19,-0.2 19,-0.3 323,-0.2 346,-0.1 -0.825 23.9-163.7-115.2 86.0 -58.6 3.5 3.5 32 32 A I E -A 49 0A 2 17,-2.2 17,-3.0 -2,-0.7 2,-0.4 -0.589 13.7-133.9 -79.4 120.5 -57.1 6.9 3.0 33 33 A P E -A 48 0A 63 0, 0.0 15,-0.3 0, 0.0 2,-0.2 -0.573 24.0-132.7 -74.2 129.5 -58.8 9.8 4.7 34 34 A L - 0 0 18 13,-2.9 13,-0.5 -2,-0.4 248,-0.1 -0.581 4.9-136.6 -84.9 145.8 -59.3 12.8 2.4 35 35 A K - 0 0 91 -2,-0.2 -1,-0.1 246,-0.1 247,-0.1 0.830 61.9-101.8 -65.5 -34.7 -58.4 16.3 3.3 36 36 A G - 0 0 9 4,-0.1 11,-0.2 5,-0.0 2,-0.2 -0.389 3.4-109.0-148.4-134.4 -61.5 17.7 1.7 37 37 A P > - 0 0 8 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.526 43.1-120.7 -76.6-176.8 -62.9 19.0 -0.5 38 38 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.830 110.7 56.0 -54.8 -40.8 -63.9 22.4 0.8 39 39 A E H > S+ 0 0 60 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.913 113.5 41.9 -61.1 -42.3 -67.6 21.9 0.3 40 40 A A H >4>S+ 0 0 0 -3,-0.3 5,-2.8 2,-0.2 3,-1.0 0.954 112.5 50.7 -69.9 -53.4 -67.5 18.8 2.4 41 41 A R H ><5S+ 0 0 151 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.852 107.3 55.2 -55.6 -37.3 -65.3 20.1 5.2 42 42 A K H 3<5S+ 0 0 139 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.795 110.5 45.3 -68.0 -27.9 -67.4 23.2 5.7 43 43 A K T <<5S- 0 0 54 -3,-1.0 266,-2.1 -4,-0.8 -1,-0.3 0.339 120.0-109.9 -95.3 5.2 -70.5 21.0 6.2 44 44 A G T < 5S+ 0 0 26 -3,-1.1 2,-0.7 -4,-0.4 266,-0.4 0.828 70.1 146.0 70.2 32.2 -68.6 18.7 8.6 45 45 A I < - 0 0 4 -5,-2.8 2,-0.3 264,-0.2 -1,-0.2 -0.895 33.1-158.2-106.4 108.2 -68.6 15.9 6.1 46 46 A R E - b 0 311A 159 264,-1.4 266,-3.0 -2,-0.7 2,-0.4 -0.652 4.6-154.2 -89.2 141.4 -65.5 13.7 6.2 47 47 A L E - b 0 312A 2 -13,-0.5 -13,-2.9 -2,-0.3 2,-0.4 -0.911 8.9-170.7-118.1 142.5 -64.4 11.5 3.2 48 48 A Y E -Ab 33 313A 37 264,-2.4 266,-2.5 -2,-0.4 2,-0.6 -0.981 13.7-144.6-128.4 140.7 -62.4 8.3 3.1 49 49 A A E -Ab 32 314A 0 -17,-3.0 -17,-2.2 -2,-0.4 2,-1.2 -0.903 2.6-153.0-113.3 112.0 -61.0 6.6 -0.1 50 50 A K E -Ab 31 315A 1 264,-3.0 266,-2.1 -2,-0.6 2,-1.5 -0.713 21.5-149.8 -80.1 101.5 -60.9 2.8 -0.2 51 51 A Y E > + b 0 316A 4 -21,-2.2 3,-1.3 -2,-1.2 266,-0.1 -0.554 30.5 165.5 -82.0 82.3 -58.0 2.5 -2.7 52 52 A E G > + 0 0 0 -2,-1.5 3,-1.5 264,-1.1 267,-0.2 0.477 61.8 87.8 -74.0 -4.0 -58.6 -0.7 -4.5 53 53 A G G 3 S+ 0 0 4 263,-0.5 -1,-0.3 265,-0.3 266,-0.2 0.623 80.2 65.0 -70.0 -10.1 -56.1 0.4 -7.1 54 54 A L G < S+ 0 0 3 -3,-1.3 -1,-0.3 -24,-0.1 -2,-0.1 0.289 72.3 111.6 -97.4 9.9 -53.6 -1.3 -4.8 55 55 A N S X S- 0 0 1 -3,-1.5 3,-2.5 1,-0.1 -29,-0.1 -0.491 91.6 -89.4 -74.4 156.1 -54.9 -4.8 -5.2 56 56 A P T 3 S+ 0 0 5 0, 0.0 581,-0.3 0, 0.0 -1,-0.1 0.708 126.6 31.2 -37.9 -43.7 -52.4 -7.1 -7.1 57 57 A T T 3 S- 0 0 1 2,-0.3 3,-0.1 579,-0.1 -3,-0.1 0.266 120.7-101.5-105.0 11.9 -53.7 -6.4 -10.7 58 58 A G S < S+ 0 0 2 -3,-2.5 261,-2.1 1,-0.2 2,-0.3 0.625 88.1 75.8 85.8 14.4 -54.8 -2.8 -9.9 59 59 A S B > S-F 318 0B 0 259,-0.2 3,-1.6 28,-0.1 -2,-0.3 -0.987 86.1-106.6-153.1 160.1 -58.6 -3.1 -9.4 60 60 A F T >> S+ 0 0 17 257,-1.7 3,-1.9 -2,-0.3 4,-0.6 0.669 101.4 90.2 -60.6 -15.9 -61.2 -4.3 -7.0 61 61 A K H >> S+ 0 0 37 1,-0.3 4,-2.7 256,-0.2 3,-0.6 0.770 70.9 70.9 -51.8 -32.2 -61.7 -7.2 -9.4 62 62 A D H <> S+ 0 0 0 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.805 88.0 64.3 -56.8 -32.9 -59.1 -9.3 -7.5 63 63 A R H <> S+ 0 0 0 -3,-1.9 4,-0.8 -4,-0.2 -1,-0.2 0.930 113.3 31.5 -58.1 -47.2 -61.5 -9.6 -4.6 64 64 A G H S+ 0 0 13 -4,-0.8 5,-2.9 -5,-0.2 -1,-0.2 0.910 110.8 43.1 -75.1 -43.6 -63.3 -23.1 -10.3 73 73 A V H ><5S+ 0 0 42 -4,-2.5 3,-1.4 3,-0.2 -2,-0.2 0.805 106.7 61.3 -71.5 -31.1 -60.2 -25.1 -9.6 74 74 A E H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.2 47.1 -63.0 -32.3 -61.9 -26.8 -6.6 75 75 A G T 3<5S- 0 0 70 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.355 128.0-100.6 -89.8 4.4 -64.4 -28.1 -9.2 76 76 A G T < 5 + 0 0 50 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.552 58.0 171.8 90.5 7.8 -61.7 -29.2 -11.6 77 77 A A < - 0 0 22 -5,-2.9 -1,-0.2 1,-0.2 3,-0.1 -0.244 17.8-171.9 -54.8 136.1 -61.8 -26.2 -14.0 78 78 A Q S S+ 0 0 155 71,-0.3 24,-1.8 1,-0.3 2,-0.3 0.503 70.9 15.7-105.3 -13.9 -59.0 -26.3 -16.5 79 79 A A E -g 102 0C 9 22,-0.2 72,-2.1 70,-0.1 -1,-0.3 -0.983 63.3-152.9-158.6 152.8 -59.7 -22.9 -18.0 80 80 A V E -gh 103 151C 0 22,-2.7 24,-2.3 -2,-0.3 2,-0.3 -0.847 11.4-170.4-126.2 163.0 -61.6 -19.7 -17.2 81 81 A A E +gh 104 152C 0 70,-1.8 72,-2.8 -2,-0.3 73,-0.5 -0.995 8.3 168.3-154.2 154.1 -63.2 -17.0 -19.3 82 82 A C E -g 105 0C 0 22,-1.5 24,-2.3 -2,-0.3 2,-0.2 -0.973 31.3-125.6-164.6 148.3 -64.8 -13.6 -19.1 83 83 A A E +g 106 0C 0 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.598 45.4 174.4 -87.9 160.4 -65.9 -10.7 -21.2 84 84 A S - 0 0 0 22,-1.8 53,-0.0 -2,-0.2 -2,-0.0 -0.976 54.2-140.8-170.8 154.4 -64.3 -7.4 -20.0 85 85 A T S S- 0 0 15 -2,-0.3 28,-0.6 155,-0.2 31,-0.1 0.333 86.6 -79.2 -93.8 1.8 -63.7 -3.7 -20.4 86 86 A G S > S+ 0 0 1 26,-0.1 4,-1.8 30,-0.1 5,-0.1 -0.155 117.7 70.1 134.2 -45.7 -60.2 -4.6 -19.2 87 87 A N H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.874 98.3 48.8 -77.4 -36.9 -60.0 -5.1 -15.4 88 88 A T H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.915 115.0 48.7 -67.5 -38.5 -61.9 -8.3 -14.9 89 89 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.903 110.6 48.7 -65.3 -45.4 -59.8 -9.8 -17.8 90 90 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 114.7 46.8 -61.2 -42.7 -56.5 -8.6 -16.3 91 91 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.969 113.0 48.4 -63.9 -51.2 -57.5 -10.0 -13.0 92 92 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.897 110.0 52.1 -55.6 -44.7 -58.6 -13.3 -14.6 93 93 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.882 112.2 46.8 -60.5 -39.3 -55.3 -13.6 -16.5 94 94 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.921 113.6 44.5 -71.6 -46.5 -53.3 -13.1 -13.4 95 95 A Y H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.782 112.7 53.3 -71.2 -23.9 -55.2 -15.6 -11.2 96 96 A A H X>S+ 0 0 1 -4,-2.0 5,-2.2 -5,-0.3 4,-1.2 0.890 108.1 49.4 -73.7 -41.8 -55.2 -18.2 -13.9 97 97 A A H <5S+ 0 0 10 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.872 112.3 50.7 -62.8 -34.8 -51.4 -17.8 -14.3 98 98 A R H <5S+ 0 0 35 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 113.9 42.3 -69.2 -41.1 -51.3 -18.3 -10.5 99 99 A A H <5S- 0 0 27 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.538 112.0-119.3 -83.3 -10.0 -53.5 -21.4 -10.6 100 100 A G T <5S+ 0 0 61 -4,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.742 73.7 117.7 77.4 23.1 -51.7 -22.8 -13.6 101 101 A I < - 0 0 29 -5,-2.2 -1,-0.3 -6,-0.1 -22,-0.2 -0.668 68.1 -88.5-116.3 173.1 -54.8 -22.8 -15.8 102 102 A L E -g 79 0C 49 -24,-1.8 -22,-2.7 -2,-0.2 2,-0.4 -0.545 30.4-157.9 -84.6 147.2 -55.8 -21.1 -19.0 103 103 A A E -g 80 0C 4 21,-0.3 23,-3.4 -24,-0.2 2,-0.5 -0.993 3.7-167.9-125.0 128.1 -57.6 -17.8 -19.2 104 104 A I E -gi 81 126C 0 -24,-2.3 -22,-1.5 -2,-0.4 2,-0.5 -0.979 9.8-170.8-115.1 124.2 -59.6 -16.7 -22.2 105 105 A V E -gi 82 127C 0 21,-2.3 23,-2.5 -2,-0.5 2,-0.7 -0.974 12.5-154.9-122.4 129.4 -60.6 -13.0 -22.2 106 106 A V E -gi 83 128C 0 -24,-2.3 -22,-1.8 -2,-0.5 23,-0.2 -0.886 20.6-171.9-105.4 108.4 -63.0 -11.4 -24.7 107 107 A L E - i 0 129C 1 21,-2.0 23,-2.8 -2,-0.7 2,-0.6 -0.770 28.8-114.5-106.2 144.2 -62.3 -7.7 -25.1 108 108 A P E > - i 0 130C 2 0, 0.0 3,-2.3 0, 0.0 23,-0.2 -0.632 44.4-112.2 -75.3 114.5 -64.2 -5.0 -27.0 109 109 A A T 3 S+ 0 0 25 21,-2.6 23,-0.0 -2,-0.6 20,-0.0 -0.191 95.1 2.7 -50.2 129.7 -62.0 -3.9 -29.8 110 110 A G T 3 S+ 0 0 69 2,-0.1 -1,-0.3 1,-0.1 21,-0.0 0.386 114.3 85.1 75.0 -3.5 -60.8 -0.3 -29.3 111 111 A Y < + 0 0 93 -3,-2.3 2,-0.4 2,-0.1 131,-0.2 -0.039 61.2 92.2-124.5 36.5 -62.4 0.1 -25.9 112 112 A V S S- 0 0 23 -5,-0.1 -26,-0.1 -26,-0.1 -2,-0.1 -0.996 78.6-114.9-127.8 124.0 -59.9 -1.3 -23.4 113 113 A A > - 0 0 7 -28,-0.6 4,-1.7 -2,-0.4 3,-0.3 -0.216 26.6-119.2 -55.3 145.8 -57.3 1.0 -21.8 114 114 A L H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 209,-0.2 0.744 110.6 59.8 -63.7 -25.6 -53.8 0.1 -22.8 115 115 A G H > S+ 0 0 0 207,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.953 109.0 45.6 -65.2 -45.5 -52.6 -0.6 -19.2 116 116 A K H > S+ 0 0 0 206,-0.8 4,-1.9 -3,-0.3 -2,-0.2 0.842 112.2 50.9 -63.8 -36.0 -55.3 -3.3 -19.1 117 117 A V H X S+ 0 0 21 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.910 106.8 54.3 -67.7 -43.0 -54.3 -4.6 -22.5 118 118 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.863 108.1 52.3 -58.3 -37.1 -50.7 -4.8 -21.4 119 119 A Q H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.966 109.1 44.6 -66.0 -55.3 -51.8 -6.9 -18.5 120 120 A S H <>S+ 0 0 1 -4,-1.9 5,-2.3 1,-0.2 4,-0.2 0.883 116.6 50.2 -56.9 -38.7 -53.8 -9.6 -20.4 121 121 A L H ><5S+ 0 0 8 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.943 114.1 40.2 -64.9 -53.5 -50.9 -9.8 -22.9 122 122 A V H 3<5S+ 0 0 0 -4,-2.5 510,-0.2 1,-0.2 -2,-0.2 0.850 111.0 57.5 -68.4 -34.4 -48.0 -10.2 -20.5 123 123 A H T 3<5S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.512 113.5-119.6 -73.3 -4.6 -50.0 -12.6 -18.2 124 124 A G T < 5 + 0 0 34 -3,-1.0 -21,-0.3 -4,-0.2 -3,-0.2 0.800 52.0 162.4 73.1 31.8 -50.5 -14.8 -21.2 125 125 A A < - 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