==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-DEC-09 2X1I . COMPND 2 MOLECULE: 4-ALPHA-GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS BROCKIANUS; . AUTHOR S.-M.YOON,J.-H.JUNG,T.-Y.JUNG,H.-N.SONG,C.-S.PARK,E.-J.WOO . 497 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.2 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 . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 3 1 1 1 0 2 1 1 2 3 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 4 A P 0 0 77 0, 0.0 441,-0.2 0, 0.0 440,-0.1 0.000 360.0 360.0 360.0 60.5 -25.1 12.7 -8.1 2 5 A C - 0 0 74 440,-0.2 2,-0.2 1,-0.2 441,-0.2 0.977 360.0 -32.5 -78.5 -59.8 -25.3 13.1 -4.3 3 6 A A E -a 443 0A 5 439,-2.8 441,-1.2 438,-0.1 2,-0.3 -0.866 41.3-142.1-152.0-174.9 -27.9 15.9 -3.6 4 7 A Y E -a 444 0A 0 492,-0.4 35,-2.1 33,-0.3 36,-0.6 -0.980 14.8-178.8-153.3 155.7 -29.6 19.2 -4.6 5 8 A G E -ab 445 40A 0 439,-2.5 441,-1.8 -2,-0.3 2,-0.4 -0.842 24.4-105.3-145.8-177.9 -30.9 22.3 -2.8 6 9 A L E -ab 446 41A 1 34,-2.1 36,-2.5 -2,-0.3 2,-0.6 -0.914 16.2-136.3-122.2 148.3 -32.7 25.6 -3.5 7 10 A L E +ab 447 42A 8 439,-2.3 441,-1.9 -2,-0.4 2,-0.3 -0.897 39.4 145.2-103.4 118.1 -31.5 29.2 -3.6 8 11 A L - 0 0 2 34,-2.3 5,-0.1 -2,-0.6 -2,-0.1 -0.847 40.9-137.3-155.7 111.9 -33.7 31.7 -1.8 9 12 A H > - 0 0 6 -2,-0.3 3,-2.5 34,-0.2 4,-0.4 -0.519 28.6-119.2 -70.3 139.0 -32.6 34.7 0.1 10 13 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.753 111.4 65.4 -48.8 -31.4 -34.6 35.1 3.3 11 14 A T G 3 S+ 0 0 2 1,-0.2 9,-2.1 8,-0.1 -2,-0.0 0.764 93.4 62.5 -65.4 -23.8 -36.0 38.5 2.2 12 15 A S G < S+ 0 0 1 -3,-2.5 462,-3.3 7,-0.2 -1,-0.2 0.625 76.9 111.9 -77.5 -14.3 -37.8 36.7 -0.6 13 16 A L S < S- 0 0 3 -3,-1.3 13,-0.1 -4,-0.4 2,-0.1 -0.237 73.4-115.4 -58.1 147.7 -39.9 34.6 1.8 14 17 A P + 0 0 25 0, 0.0 7,-0.3 0, 0.0 461,-0.1 -0.327 59.9 105.5 -78.4 170.2 -43.6 35.6 1.7 15 18 A G - 0 0 22 459,-0.2 3,-0.3 5,-0.1 4,-0.1 -0.626 62.8 -64.4 140.3 161.9 -45.2 37.1 4.8 16 19 A P S S+ 0 0 61 0, 0.0 3,-0.4 0, 0.0 73,-0.0 -0.258 94.4 48.3 -76.9 166.9 -46.6 40.2 6.5 17 20 A W S S- 0 0 53 1,-0.2 54,-0.1 70,-0.1 84,-0.0 0.768 118.1 -65.8 77.1 32.4 -44.7 43.3 7.5 18 21 A G S S+ 0 0 3 -3,-0.3 75,-0.4 70,-0.2 2,-0.3 0.322 106.5 24.3 82.5 -5.0 -42.7 44.1 4.3 19 22 A V S S- 0 0 1 -3,-0.4 -7,-0.2 -4,-0.1 -8,-0.1 -0.949 86.7 -74.3-180.0 158.5 -40.2 41.3 3.8 20 23 A G - 0 0 0 -9,-2.1 2,-0.3 -2,-0.3 -5,-0.1 -0.391 54.1-173.5 -63.3 141.1 -39.3 37.7 4.4 21 24 A V - 0 0 5 -7,-0.3 2,-1.8 -2,-0.1 5,-0.4 -0.835 39.0 -92.8-133.4 173.1 -38.2 37.1 8.0 22 25 A L S S+ 0 0 6 46,-2.2 48,-0.2 -2,-0.3 174,-0.1 -0.379 92.6 85.5 -84.2 59.5 -36.7 34.4 10.2 23 26 A G S > S- 0 0 0 -2,-1.8 4,-2.0 46,-0.1 5,-0.2 -0.132 95.7 -34.3-128.9-136.6 -40.1 33.1 11.4 24 27 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 128.7 51.5 -64.8 -44.6 -42.9 30.8 10.4 25 28 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 110.6 52.5 -59.8 -38.0 -42.8 31.2 6.6 26 29 A A H > S+ 0 0 0 -5,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.923 109.9 46.4 -62.1 -45.0 -39.1 30.4 6.9 27 30 A R H X S+ 0 0 98 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.852 109.5 57.2 -65.4 -32.6 -39.8 27.2 8.9 28 31 A G H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.912 102.3 52.8 -63.8 -41.9 -42.4 26.5 6.3 29 32 A F H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.840 105.0 58.1 -62.6 -31.3 -39.8 26.7 3.5 30 33 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.940 106.7 45.4 -63.9 -47.8 -37.8 24.1 5.5 31 34 A R H X S+ 0 0 125 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.937 112.4 52.2 -59.8 -46.4 -40.6 21.6 5.5 32 35 A F H X S+ 0 0 28 -4,-2.4 4,-1.4 1,-0.2 6,-0.3 0.952 110.9 47.6 -51.9 -54.2 -41.1 22.2 1.8 33 36 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.7 2,-0.2 3,-0.6 0.938 113.7 47.7 -52.9 -53.2 -37.4 21.6 1.2 34 37 A K H ><5S+ 0 0 110 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.964 114.6 44.0 -53.6 -59.4 -37.5 18.4 3.3 35 38 A E H 3<5S+ 0 0 115 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.634 109.8 59.0 -63.1 -15.0 -40.6 17.0 1.6 36 39 A A T <<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.6 455,-0.2 0.434 117.3-111.0 -93.8 -0.1 -39.2 18.0 -1.8 37 40 A G T < 5S+ 0 0 14 -3,-2.0 -33,-0.3 -4,-0.3 -3,-0.2 0.355 71.4 142.8 87.8 -6.6 -36.1 15.9 -1.3 38 41 A A < - 0 0 4 -5,-1.7 -1,-0.3 -6,-0.3 -33,-0.2 -0.363 29.9-177.7 -67.8 147.5 -33.9 19.0 -1.0 39 42 A R + 0 0 90 -35,-2.1 167,-2.3 1,-0.1 2,-0.3 0.284 61.5 57.4-127.5 4.9 -31.1 18.9 1.5 40 43 A Y E -bc 5 206A 72 -36,-0.6 -34,-2.1 165,-0.2 2,-0.4 -0.991 51.2-166.6-140.9 148.3 -29.7 22.4 1.1 41 44 A W E -bc 6 207A 0 165,-1.9 167,-2.0 -2,-0.3 2,-0.3 -0.920 16.9-162.0-134.2 105.1 -30.9 25.9 1.4 42 45 A Q E +bc 7 208A 0 -36,-2.5 -34,-2.3 -2,-0.4 2,-0.3 -0.694 11.8 178.8 -91.1 141.7 -28.6 28.6 -0.1 43 46 A V - 0 0 0 165,-2.4 -34,-0.2 -2,-0.3 3,-0.1 -0.831 27.5-110.6-133.1 169.3 -28.9 32.2 0.9 44 47 A L - 0 0 2 -2,-0.3 166,-0.2 1,-0.2 -36,-0.0 -0.471 64.2 -55.5 -93.1 171.3 -27.1 35.5 0.1 45 48 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 166,-0.1 -0.166 48.4-149.1 -48.7 139.9 -24.9 37.4 2.7 46 49 A L + 0 0 10 164,-0.3 19,-3.2 -3,-0.1 22,-0.1 0.192 52.0 117.6-100.6 16.4 -27.0 38.1 5.8 47 50 A G S S- 0 0 8 8,-0.3 17,-0.2 17,-0.3 18,-0.1 -0.325 75.0 -78.6 -83.2 167.2 -25.4 41.4 7.0 48 51 A P - 0 0 2 0, 0.0 11,-1.7 0, 0.0 12,-0.4 -0.309 51.8-140.0 -60.9 142.4 -27.1 44.9 7.4 49 52 A T B -H 58 0B 16 9,-0.2 9,-0.1 10,-0.1 3,-0.1 -0.752 16.8-168.6-111.7 157.3 -27.4 46.8 4.1 50 53 A G > - 0 0 16 7,-0.6 3,-2.4 4,-0.4 4,-0.1 -0.144 56.2 -14.2-115.3-149.0 -27.0 50.4 3.0 51 54 A Y T 3 S+ 0 0 241 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 -0.306 132.8 25.0 -57.8 131.6 -27.9 52.3 -0.1 52 55 A G T 3 S- 0 0 38 1,-0.2 -1,-0.3 -3,-0.1 417,-0.2 0.091 104.6-118.3 99.5 -22.8 -28.8 50.0 -3.0 53 56 A D < + 0 0 41 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.631 56.0 162.2 63.6 18.1 -29.8 47.3 -0.5 54 57 A S > - 0 0 20 -3,-0.4 3,-1.3 1,-0.1 -4,-0.4 -0.500 40.2-147.7 -73.7 132.4 -27.1 44.9 -1.8 55 58 A P T 3 S+ 0 0 4 0, 0.0 3,-0.4 0, 0.0 -8,-0.3 0.685 98.2 62.4 -69.1 -17.6 -26.2 42.0 0.6 56 59 A Y T 3 S+ 0 0 15 1,-0.2 2,-0.1 155,-0.1 158,-0.1 0.459 98.6 54.2 -88.4 -2.1 -22.6 42.3 -0.8 57 60 A Q S < S+ 0 0 81 -3,-1.3 -7,-0.6 -10,-0.1 -1,-0.2 -0.539 80.7 169.4-127.6 62.8 -22.0 45.8 0.4 58 61 A S B -H 49 0B 16 -3,-0.4 158,-0.4 -9,-0.1 -9,-0.2 -0.395 45.9-128.2 -79.7 153.3 -22.8 45.4 4.1 59 62 A F S S+ 0 0 31 -11,-1.7 161,-3.0 1,-0.2 2,-0.3 0.533 97.7 25.1 -74.2 -5.7 -22.2 47.9 6.9 60 63 A S - 0 0 4 -12,-0.4 -1,-0.2 159,-0.2 -2,-0.1 -0.940 59.2-147.5-161.8 138.3 -20.5 45.0 8.7 61 64 A A S S+ 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 -14,-0.0 0.514 107.4 30.7 -81.6 -4.1 -18.7 41.7 7.9 62 65 A F S S+ 0 0 12 72,-0.1 -1,-0.1 2,-0.0 73,-0.1 0.675 97.4 96.0-120.8 -36.3 -20.0 40.2 11.2 63 66 A A - 0 0 7 71,-0.1 2,-0.4 1,-0.1 -3,-0.1 0.050 67.2-121.9 -55.9 166.2 -23.4 41.9 11.9 64 67 A G - 0 0 0 -17,-0.2 -17,-0.3 3,-0.0 125,-0.1 -0.896 29.7-100.6-115.1 144.0 -26.8 40.5 11.1 65 68 A N > - 0 0 7 -19,-3.2 3,-1.9 -2,-0.4 4,-0.2 -0.464 24.6-158.4 -65.1 108.6 -29.4 42.1 8.9 66 69 A P G > S+ 0 0 2 0, 0.0 3,-2.9 0, 0.0 -1,-0.2 0.877 88.2 71.0 -56.2 -36.2 -32.1 43.7 11.2 67 70 A Y G 3 S+ 0 0 14 1,-0.3 -2,-0.1 -18,-0.1 34,-0.0 0.715 91.2 60.3 -52.5 -22.7 -34.6 43.7 8.3 68 71 A L G < S+ 0 0 0 -3,-1.9 -46,-2.2 -22,-0.1 2,-0.3 0.493 77.4 114.8 -85.7 -3.3 -34.7 39.9 8.7 69 72 A I < - 0 0 0 -3,-2.9 2,-0.8 -4,-0.2 -46,-0.1 -0.532 68.1-132.5 -71.7 126.2 -35.9 40.1 12.3 70 73 A D - 0 0 8 -2,-0.3 4,-0.5 -48,-0.2 -1,-0.1 -0.730 16.5-165.4 -81.2 110.1 -39.5 38.7 12.6 71 74 A L S >> S+ 0 0 3 -2,-0.8 4,-1.3 1,-0.2 3,-0.5 0.732 72.1 82.3 -68.8 -24.4 -41.4 41.3 14.6 72 75 A R H >> S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.897 87.1 51.9 -51.0 -49.2 -44.3 38.9 15.4 73 76 A P H 34 S+ 0 0 54 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.901 110.1 51.2 -57.2 -35.9 -42.6 37.2 18.3 74 77 A L H <4>S+ 0 0 10 -3,-0.5 5,-1.6 -4,-0.5 6,-0.8 0.752 108.3 52.0 -69.7 -25.8 -41.9 40.6 19.8 75 78 A V H X<5S+ 0 0 50 -4,-1.3 3,-1.5 -3,-0.8 -1,-0.2 0.877 103.5 57.2 -77.3 -37.7 -45.6 41.5 19.3 76 79 A D T 3<5S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.629 105.7 52.5 -67.3 -13.8 -46.7 38.4 21.2 77 80 A R T 3 5S- 0 0 114 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.450 113.8-115.1-101.6 -2.1 -44.7 39.5 24.2 78 81 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.591 80.9 122.9 81.2 10.9 -46.2 42.9 24.4 79 82 A F S - 0 0 51 -2,-0.5 4,-3.0 -75,-0.4 5,-0.2 -0.807 16.9-178.5-102.0 89.1 -40.2 48.2 -0.8 94 97 A Y H > S+ 0 0 24 -2,-1.0 4,-2.3 2,-0.2 5,-0.2 0.855 77.4 55.7 -56.9 -41.2 -36.9 49.1 0.8 95 98 A G H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 115.4 38.7 -58.0 -48.0 -37.6 52.8 1.1 96 99 A L H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.887 113.2 56.1 -69.5 -39.6 -40.8 52.1 3.0 97 100 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.5 0.842 109.1 48.2 -61.3 -34.5 -39.1 49.2 5.0 98 101 A Y H X S+ 0 0 148 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.938 112.0 47.2 -70.9 -49.6 -36.4 51.6 6.2 99 102 A A H < S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.803 126.1 29.9 -62.6 -29.8 -38.9 54.3 7.2 100 103 A W H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.1 -2,-0.2 0.906 114.1 50.0 -98.6 -55.0 -41.0 51.8 9.1 101 104 A K H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.793 105.4 56.8 -62.3 -31.1 -39.1 48.8 10.4 102 105 A W H X S+ 0 0 29 -4,-1.0 4,-3.0 -5,-0.5 5,-0.2 0.985 112.0 40.8 -65.9 -53.6 -36.4 50.8 12.2 103 106 A P H > S+ 0 0 66 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.862 114.2 56.9 -60.6 -30.2 -38.9 52.8 14.3 104 107 A A H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.929 110.6 41.2 -64.0 -46.3 -40.7 49.5 14.7 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.892 113.8 53.6 -68.6 -40.7 -37.7 47.8 16.1 106 109 A R H X S+ 0 0 90 -4,-3.0 4,-1.5 2,-0.2 3,-0.5 0.936 109.5 48.2 -59.6 -46.7 -36.8 50.8 18.2 107 110 A A H X S+ 0 0 45 -4,-2.8 4,-1.8 1,-0.3 3,-0.5 0.933 109.4 52.6 -59.2 -47.5 -40.3 50.8 19.7 108 111 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.752 103.0 60.2 -60.7 -24.4 -40.1 47.1 20.5 109 112 A F H X S+ 0 0 3 -4,-1.3 4,-2.4 -3,-0.5 -1,-0.2 0.914 103.2 49.7 -70.6 -40.7 -36.8 47.8 22.2 110 113 A Q H X S+ 0 0 70 -4,-1.5 4,-0.8 -3,-0.5 -2,-0.2 0.881 108.7 52.7 -64.0 -38.3 -38.6 50.1 24.7 111 114 A G H >X S+ 0 0 9 -4,-1.8 4,-1.1 -32,-0.5 3,-0.6 0.902 109.0 51.3 -63.4 -38.6 -41.1 47.4 25.3 112 115 A F H >X S+ 0 0 8 -4,-1.7 4,-2.6 1,-0.2 3,-0.8 0.935 105.3 53.1 -62.9 -49.7 -38.3 45.1 26.1 113 116 A R H 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.673 119.2 38.0 -60.9 -16.0 -36.6 47.4 28.6 114 117 A Q H << S+ 0 0 148 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.495 131.0 21.5-114.4 -7.1 -40.0 47.6 30.4 115 118 A K H << S+ 0 0 121 -4,-1.1 -3,-0.2 -3,-0.8 -2,-0.2 0.376 82.0 126.3-141.3 0.9 -41.4 44.0 30.1 116 119 A A < - 0 0 9 -4,-2.6 -4,-0.0 -5,-0.2 -39,-0.0 -0.418 58.2-124.2 -67.7 137.5 -38.4 41.7 29.5 117 120 A S > - 0 0 35 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.211 27.4-105.1 -71.5 170.0 -38.2 38.8 31.9 118 121 A P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 122.6 54.2 -66.4 -35.8 -35.0 38.3 33.8 119 122 A E H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.804 112.9 44.4 -66.1 -29.7 -34.0 35.4 31.7 120 123 A E H > S+ 0 0 39 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.909 114.7 46.3 -79.1 -46.7 -34.5 37.6 28.6 121 124 A K H X S+ 0 0 101 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.805 115.6 49.7 -65.1 -28.5 -32.6 40.6 30.1 122 125 A E H X S+ 0 0 84 -4,-2.3 4,-2.3 -5,-0.2 3,-0.2 0.908 109.3 48.6 -77.3 -44.5 -29.9 38.2 31.2 123 126 A D H X S+ 0 0 47 -4,-1.7 4,-2.7 1,-0.3 5,-0.2 0.947 109.6 53.0 -60.2 -47.7 -29.5 36.5 27.8 124 127 A F H X S+ 0 0 18 -4,-2.5 4,-1.5 1,-0.2 -1,-0.3 0.801 109.8 51.4 -57.1 -28.3 -29.3 39.9 26.1 125 128 A A H X S+ 0 0 45 -4,-0.6 4,-1.3 -3,-0.2 -1,-0.2 0.911 108.9 47.4 -76.1 -44.2 -26.6 40.7 28.6 126 129 A R H X S+ 0 0 147 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.909 110.7 53.6 -62.5 -43.6 -24.5 37.5 27.9 127 130 A F H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.931 106.1 51.2 -56.9 -50.7 -24.8 38.1 24.2 128 131 A Q H < S+ 0 0 67 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.817 112.9 47.4 -58.0 -32.0 -23.5 41.7 24.4 129 132 A E H < S+ 0 0 158 -4,-1.3 3,-0.5 -3,-0.2 4,-0.2 0.911 114.0 44.3 -76.9 -44.2 -20.5 40.4 26.4 130 133 A E H < S+ 0 0 118 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.826 119.3 40.5 -71.0 -34.9 -19.6 37.5 24.1 131 134 A E S >X S+ 0 0 22 -4,-2.5 4,-3.5 -5,-0.2 3,-1.8 0.347 83.0 110.6 -96.3 6.7 -20.0 39.4 20.8 132 135 A A H 3> + 0 0 39 -3,-0.5 4,-2.2 1,-0.3 5,-0.4 0.832 60.0 72.6 -48.7 -42.8 -18.3 42.5 22.2 133 136 A W H 34 S+ 0 0 131 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.746 124.5 7.3 -49.1 -28.8 -15.1 42.1 20.1 134 137 A W H <> S+ 0 0 6 -3,-1.8 4,-2.5 2,-0.1 -2,-0.2 0.624 124.1 66.5-120.8 -35.3 -17.1 43.1 17.0 135 138 A L H X S+ 0 0 7 -4,-3.5 4,-2.7 1,-0.2 5,-0.3 0.856 96.9 57.5 -57.5 -38.3 -20.5 44.2 18.4 136 139 A R H X S+ 0 0 142 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.938 112.1 39.4 -60.0 -49.2 -19.0 47.2 20.2 137 140 A D H > S+ 0 0 23 -5,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.880 116.2 52.3 -69.3 -37.7 -17.6 48.7 17.0 138 141 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.959 110.0 46.3 -62.1 -54.6 -20.7 47.7 15.0 139 142 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.909 116.1 45.2 -55.6 -47.3 -23.3 49.3 17.4 140 143 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.873 110.6 56.2 -66.5 -35.6 -21.3 52.5 17.7 141 144 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.959 111.3 41.2 -59.4 -54.0 -20.7 52.6 13.9 142 145 A M H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 3,-0.2 0.938 115.1 51.8 -59.7 -49.0 -24.4 52.5 13.1 143 146 A T H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.913 111.7 46.2 -53.9 -49.3 -25.3 54.9 15.9 144 147 A L H < S+ 0 0 1 -4,-2.8 4,-0.5 1,-0.2 -1,-0.3 0.779 109.3 56.1 -66.8 -27.5 -22.7 57.4 14.7 145 148 A K H ><>S+ 0 0 17 -4,-1.6 5,-3.0 -5,-0.2 3,-0.5 0.899 110.0 44.4 -71.4 -39.5 -23.9 57.0 11.2 146 149 A S H ><5S+ 0 0 69 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.949 110.6 55.2 -66.1 -48.8 -27.5 57.9 12.2 147 150 A H T 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.603 110.0 48.2 -60.4 -14.0 -26.2 60.8 14.3 148 151 A H T X 5S- 0 0 40 -3,-0.5 3,-1.3 -4,-0.5 -1,-0.3 0.034 120.4 -99.0-118.8 28.3 -24.4 62.1 11.2 149 152 A G T < 5S- 0 0 75 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.791 75.9 -61.6 63.6 29.8 -27.1 62.0 8.6 150 153 A G T 3 - 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0 0 61 -3,-1.4 -3,-0.2 -5,-0.2 2,-0.1 0.903 33.3-162.9 52.0 52.2 -11.2 56.7 16.4 164 167 A E >< - 0 0 91 -5,-2.8 4,-2.4 -6,-0.2 5,-0.2 -0.445 24.0-122.3 -67.5 136.2 -9.7 58.9 19.1 165 168 A E H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.837 107.6 41.4 -44.7 -47.5 -9.9 57.3 22.6 166 169 A R H > S+ 0 0 181 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.983 111.7 51.1 -68.4 -61.2 -11.8 60.2 24.2 167 170 A A H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.870 111.4 51.4 -44.3 -45.1 -14.3 61.0 21.4 168 171 A L H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.955 110.8 46.0 -60.3 -52.2 -15.2 57.4 21.3 169 172 A K H X S+ 0 0 124 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.866 114.2 48.3 -59.6 -39.9 -15.9 57.1 25.0 170 173 A E H >X S+ 0 0 118 -4,-2.7 4,-2.4 2,-0.2 3,-1.1 0.963 115.3 43.3 -65.0 -52.4 -17.9 60.3 25.1 171 174 A A H 3< S+ 0 0 13 -4,-2.6 4,-0.3 1,-0.3 -2,-0.2 0.898 112.2 55.1 -58.1 -41.3 -20.0 59.3 22.1 172 175 A E H 3< S+ 0 0 35 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.686 112.6 44.1 -66.2 -19.1 -20.3 55.9 23.6 173 176 A A H X< S+ 0 0 74 -3,-1.1 3,-0.6 -4,-0.7 -2,-0.2 0.814 112.1 46.8 -96.2 -36.9 -21.6 57.4 26.8 174 177 A S T 3< S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.208 121.8 37.5 -91.8 16.1 -24.1 60.0 25.5 175 178 A L T 3> S+ 0 0 28 -4,-0.3 4,-2.5 -5,-0.2 3,-0.3 0.105 71.7 128.5-148.9 20.0 -25.7 57.5 23.1 176 179 A A H <> S+ 0 0 51 -3,-0.6 4,-1.8 1,-0.2 -2,-0.1 0.746 74.3 55.8 -52.5 -28.8 -25.6 54.3 25.2 177 180 A E H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 108.9 43.4 -71.8 -49.4 -29.3 53.9 24.5 178 181 A E H > S+ 0 0 31 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.908 115.0 51.5 -61.9 -42.0 -29.0 53.9 20.7 179 182 A I H X S+ 0 0 24 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 109.3 49.7 -61.2 -41.5 -26.0 51.7 21.0 180 183 A A H X S+ 0 0 14 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.895 107.6 56.3 -64.9 -38.9 -27.9 49.3 23.1 181 184 A F H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.957 107.3 46.4 -57.0 -54.3 -30.7 49.3 20.5 182 185 A H H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.906 112.0 51.4 -57.4 -40.1 -28.4 48.3 17.7 183 186 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.868 107.8 54.6 -63.6 -34.5 -27.0 45.5 20.0 184 187 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 103.9 52.7 -63.4 -47.5 -30.6 44.5 20.6 185 188 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.913 111.8 47.3 -55.4 -42.2 -31.3 44.1 16.9 186 189 A Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.905 108.1 54.7 -66.1 -42.0 -28.2 41.9 16.7 187 190 A W H X S+ 0 0 18 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.932 112.0 44.3 -56.8 -48.4 -29.3 39.8 19.7 188 191 A L H X S+ 0 0 14 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.964 112.4 52.3 -61.4 -53.3 -32.7 39.1 18.1 189 192 A F H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.927 113.1 41.3 -49.3 -58.8 -31.2 38.3 14.7 190 193 A F H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.864 116.5 49.3 -62.7 -36.0 -28.7 35.8 15.8 191 194 A R H X S+ 0 0 92 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.934 113.6 46.7 -68.6 -43.2 -31.1 34.2 18.3 192 195 A Q H X S+ 0 0 29 -4,-3.4 4,-2.0 -5,-0.2 -2,-0.2 0.896 114.8 45.9 -65.7 -39.3 -33.8 34.0 15.6 193 196 A W H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -1,-0.2 0.926 109.3 56.3 -68.5 -42.1 -31.3 32.5 13.0 194 197 A G H X S+ 0 0 27 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.930 106.9 48.8 -53.1 -49.3 -30.0 30.1 15.6 195 198 A A H X S+ 0 0 54 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.954 112.8 48.2 -55.4 -50.2 -33.5 28.7 16.2 196 199 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.855 109.4 53.9 -58.7 -37.8 -34.0 28.4 12.4 197 200 A K H X S+ 0 0 30 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.933 108.4 46.8 -65.2 -47.3 -30.6 26.7 12.1 198 201 A E H X S+ 0 0 136 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.916 110.9 55.4 -59.4 -42.6 -31.4 24.0 14.7 199 202 A E H X S+ 0 0 69 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.934 108.5 46.3 -53.9 -51.8 -34.7 23.5 12.9 200 203 A A H <>S+ 0 0 0 -4,-2.3 5,-3.6 1,-0.2 -1,-0.2 0.886 110.5 53.5 -60.5 -41.3 -33.1 22.9 9.6 201 204 A E H ><5S+ 0 0 88 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.886 105.9 52.2 -62.7 -40.4 -30.6 20.5 11.2 202 205 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.6 49.0 -64.6 -32.9 -33.3 18.4 12.7 203 206 A L T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.447 122.1-112.0 -84.2 -1.5 -34.9 18.2 9.3 204 207 A G T < 5S+ 0 0 48 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.797 71.1 139.8 75.8 30.1 -31.6 17.2 7.9 205 208 A I < - 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