==== 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 OXIDOREDUCTASE 04-AUG-00 1FIQ . COMPND 2 MOLECULE: XANTHINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.ENROTH,B.T.EGER,K.OKAMOTO,T.NISHINO,T.NISHINO,E.F.PAI . 1214 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 196 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0.1 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 . 80 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 1 1 5 6 1 3 2 0 3 0 5 0 0 0 2 0 1 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 4 2 4 6 2 2 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 4 2 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 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 T 0 0 178 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.6 5.6 68.5 109.4 2 3 A A - 0 0 43 15,-0.1 2,-0.2 170,-0.0 169,-0.1 -0.948 360.0-114.9-122.2 142.6 7.2 65.5 107.6 3 4 A D - 0 0 39 167,-1.5 16,-0.2 -2,-0.4 169,-0.2 -0.477 32.0-116.9 -74.8 143.9 7.0 64.6 103.9 4 5 A E - 0 0 93 -2,-0.2 2,-0.6 14,-0.1 13,-0.2 -0.507 19.7-132.9 -78.8 150.0 5.2 61.4 103.0 5 6 A L E -A 16 0A 0 11,-3.0 11,-3.2 -2,-0.2 2,-0.5 -0.924 27.9-173.8-103.1 123.4 7.2 58.6 101.3 6 7 A V E +A 15 0A 18 -2,-0.6 75,-3.5 9,-0.2 2,-0.3 -0.977 18.8 131.0-126.4 127.4 5.4 57.3 98.3 7 8 A F E -A 14 0A 0 7,-2.0 7,-3.1 -2,-0.5 2,-0.3 -0.899 42.5-105.2-155.1-179.3 6.4 54.3 96.2 8 9 A F E -Ab 13 83A 69 74,-2.1 76,-2.6 -2,-0.3 2,-0.4 -0.892 16.0-170.6-124.0 154.1 5.1 51.1 94.7 9 10 A V E > S-Ab 12 84A 7 3,-2.0 3,-1.5 -2,-0.3 76,-0.2 -0.955 79.8 -17.7-142.0 117.7 5.3 47.4 95.3 10 11 A N T 3 S- 0 0 53 74,-3.3 75,-0.1 -2,-0.4 3,-0.1 0.831 127.6 -52.9 54.6 37.6 4.0 44.8 92.8 11 12 A G T 3 S+ 0 0 74 73,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.565 113.7 114.2 79.8 8.8 1.8 47.5 91.2 12 13 A K E < -A 9 0A 164 -3,-1.5 -3,-2.0 2,-0.0 -1,-0.2 -0.947 68.4-118.3-116.5 132.7 0.1 48.7 94.4 13 14 A K E -A 8 0A 129 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.465 25.8-162.3 -71.0 134.8 0.7 52.2 95.7 14 15 A V E -A 7 0A 12 -7,-3.1 -7,-2.0 -2,-0.2 2,-0.7 -0.962 4.1-167.3-123.2 115.7 2.3 52.4 99.2 15 16 A V E -A 6 0A 54 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.2 -0.893 2.2-172.7-107.2 112.4 2.1 55.6 101.2 16 17 A E E > -A 5 0A 37 -11,-3.2 -11,-3.0 -2,-0.7 3,-0.7 -0.886 4.4-177.6-104.7 105.8 4.4 55.7 104.2 17 18 A K T 3 S+ 0 0 128 -2,-0.7 -1,-0.1 -13,-0.2 -15,-0.1 0.674 81.9 34.4 -78.0 -16.1 3.6 58.8 106.3 18 19 A N T 3 S+ 0 0 129 -13,-0.1 -1,-0.2 153,-0.1 -14,-0.1 -0.063 78.9 179.7-130.7 36.2 6.3 58.3 108.9 19 20 A A < - 0 0 1 -3,-0.7 153,-0.3 -16,-0.2 -16,-0.0 0.005 20.2-141.7 -40.6 133.8 9.2 56.7 107.0 20 21 A D > - 0 0 32 1,-0.1 3,-3.0 153,-0.1 56,-0.2 -0.916 7.0-140.2-106.4 117.1 12.2 56.0 109.2 21 22 A P T 3 S+ 0 0 5 0, 0.0 56,-0.3 0, 0.0 -1,-0.1 0.760 101.2 57.8 -42.8 -35.7 15.6 56.7 107.4 22 23 A E T 3 S+ 0 0 34 154,-0.1 2,-0.5 53,-0.1 -3,-0.0 0.533 81.4 113.0 -78.0 -5.6 17.1 53.6 109.0 23 24 A T < - 0 0 38 -3,-3.0 53,-2.4 4,-0.1 54,-0.4 -0.561 57.0-148.9 -75.3 119.7 14.5 51.3 107.5 24 25 A T B > -E 75 0B 42 -2,-0.5 4,-2.2 51,-0.2 5,-0.2 -0.522 22.2-120.7 -82.8 152.3 15.7 48.9 104.8 25 26 A L H > S+ 0 0 0 49,-3.3 4,-2.9 46,-0.5 5,-0.2 0.866 112.7 58.5 -59.4 -36.5 13.4 47.8 102.0 26 27 A L H > S+ 0 0 10 45,-2.1 4,-2.7 2,-0.2 5,-0.2 0.940 107.9 43.3 -58.0 -52.4 13.8 44.2 103.1 27 28 A A H >>S+ 0 0 15 44,-0.3 4,-2.8 1,-0.2 5,-0.7 0.904 114.5 51.1 -61.8 -42.8 12.4 44.8 106.6 28 29 A Y H X>S+ 0 0 13 -4,-2.2 5,-2.2 3,-0.2 4,-0.8 0.927 111.9 47.3 -61.8 -45.1 9.7 47.0 105.2 29 30 A L H <5S+ 0 0 0 -4,-2.9 6,-3.0 3,-0.2 -2,-0.2 0.950 119.6 37.3 -61.0 -52.1 8.7 44.3 102.7 30 31 A R H <5S+ 0 0 17 -4,-2.7 4,-0.2 4,-0.2 -2,-0.2 0.957 129.1 27.6 -68.4 -50.4 8.7 41.5 105.3 31 32 A R H <5S+ 0 0 84 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.956 128.9 29.2 -82.2 -53.5 7.3 43.2 108.3 32 33 A K T < + 0 0 39 -6,-3.0 3,-0.8 -7,-0.2 -1,-0.2 -0.788 18.4 171.1-108.3 86.8 5.6 39.9 101.8 36 37 A R T 3 + 0 0 51 -2,-0.8 -1,-0.1 1,-0.2 -6,-0.1 0.356 52.1 98.4 -79.9 7.6 8.0 37.2 103.1 37 38 A G T 3 S+ 0 0 0 -8,-0.1 2,-0.4 451,-0.1 -1,-0.2 0.892 72.1 71.7 -60.0 -38.5 8.9 36.0 99.6 38 39 A T S < S- 0 0 3 -3,-0.8 2,-0.2 -12,-0.1 12,-0.2 -0.657 80.4-152.0 -80.6 130.8 12.1 38.1 99.8 39 40 A K - 0 0 1 10,-1.9 2,-0.5 -2,-0.4 33,-0.1 -0.678 17.2-128.3-110.7 161.1 14.7 36.7 102.3 40 41 A L + 0 0 40 -2,-0.2 607,-0.3 1,-0.1 -2,-0.0 -0.908 37.2 155.3-101.8 122.2 17.5 37.7 104.6 41 42 A G S S- 0 0 3 -2,-0.5 -1,-0.1 605,-0.1 74,-0.0 0.545 77.7 -18.4-123.7 -14.7 20.6 35.7 103.9 42 43 A C - 0 0 3 1082,-0.1 689,-0.3 688,-0.1 688,-0.1 0.397 65.4-135.2-165.8 -24.0 23.5 37.9 105.1 43 44 A G S S+ 0 0 11 1,-0.1 168,-0.1 687,-0.1 686,-0.0 0.497 88.2 83.9 69.0 1.1 22.5 41.6 105.4 44 45 A E S S- 0 0 32 167,-0.1 -1,-0.1 168,-0.0 164,-0.1 0.295 102.5-105.9-118.9 10.0 25.7 42.7 103.6 45 46 A G S S+ 0 0 8 235,-0.0 239,-0.2 1,-0.0 236,-0.1 0.475 88.9 102.0 85.7 2.7 24.9 42.4 99.9 46 47 A G S S+ 0 0 29 1,-0.1 1078,-0.0 238,-0.0 -1,-0.0 0.664 75.9 45.9 -98.0 -11.7 26.7 39.2 98.8 47 48 A C S S- 0 0 3 98,-0.1 99,-2.7 99,-0.0 -1,-0.1 0.685 80.8-143.1-103.6 -22.4 24.2 36.4 98.6 48 49 A G > + 0 0 1 97,-0.2 3,-2.1 1,-0.1 -9,-0.1 0.493 58.3 130.5 74.2 3.3 21.2 37.9 96.8 49 50 A A T 3 S+ 0 0 1 1,-0.3 -10,-1.9 69,-0.1 69,-0.2 0.758 77.5 51.4 -59.6 -20.4 18.6 36.1 98.8 50 51 A C T 3 S+ 0 0 3 -12,-0.2 21,-2.4 67,-0.1 -1,-0.3 -0.047 83.4 144.4-104.2 26.7 17.0 39.6 99.2 51 52 A T E < +C 70 0A 2 -3,-2.1 2,-0.3 19,-0.2 36,-0.2 -0.432 15.8 160.0 -75.6 141.5 17.0 40.4 95.5 52 53 A V E -C 69 0A 0 17,-1.9 17,-2.2 -2,-0.1 2,-0.5 -0.894 38.3-106.9-145.0 172.8 14.2 42.5 94.0 53 54 A M E -CD 68 85A 2 32,-2.3 32,-2.2 -2,-0.3 2,-0.4 -0.938 26.8-161.6-110.9 131.0 13.7 44.5 90.9 54 55 A L E -CD 67 84A 6 13,-3.2 13,-2.2 -2,-0.5 2,-0.4 -0.902 4.2-167.5-109.6 137.7 13.5 48.3 91.0 55 56 A S E +CD 66 83A 13 28,-2.4 28,-2.5 -2,-0.4 2,-0.3 -0.986 11.6 168.0-125.3 134.9 12.0 50.4 88.3 56 57 A K E -C 65 0A 92 9,-1.6 9,-1.4 -2,-0.4 26,-0.1 -0.936 34.2-119.7-153.5 128.8 12.3 54.2 87.9 57 58 A Y E -C 64 0A 113 24,-0.4 2,-0.5 -2,-0.3 7,-0.2 -0.325 28.8-146.4 -59.7 141.6 11.6 56.8 85.2 58 59 A D E > -C 62 0A 51 4,-1.0 2,-2.8 5,-0.9 4,-0.9 -0.958 11.7-138.2-119.7 117.4 14.7 58.7 84.2 59 60 A R T 4 S+ 0 0 211 -2,-0.5 2,-0.1 2,-0.1 4,-0.1 -0.451 97.5 35.5 -70.3 76.4 14.4 62.3 83.1 60 61 A L T 4 S+ 0 0 109 -2,-2.8 3,-0.1 3,-0.1 -1,-0.1 -0.454 113.8 41.1 178.4 -94.2 16.9 61.7 80.3 61 62 A Q T 4 S- 0 0 120 1,-0.2 2,-1.9 -2,-0.1 -2,-0.1 0.452 92.6-145.8 -57.9 4.9 16.8 58.3 78.4 62 63 A D E < +C 58 0A 102 -4,-0.9 -4,-1.0 1,-0.0 -1,-0.2 -0.461 64.9 97.3 66.4 -85.3 13.0 58.9 78.8 63 64 A K E S- 0 0 158 -2,-1.9 -5,-0.9 1,-0.1 2,-0.6 0.295 85.5-106.1 -29.6 151.8 12.2 55.2 79.2 64 65 A I E -C 57 0A 93 -7,-0.2 -7,-0.2 -3,-0.0 2,-0.2 -0.805 40.6-142.8 -87.8 121.2 11.6 53.7 82.6 65 66 A I E -C 56 0A 73 -9,-1.4 -9,-1.6 -2,-0.6 2,-0.4 -0.490 7.4-147.8 -87.0 157.9 14.7 51.6 83.4 66 67 A H E +C 55 0A 29 -11,-0.2 2,-0.3 -2,-0.2 -11,-0.2 -0.989 24.3 157.0-128.9 129.5 14.7 48.3 85.2 67 68 A F E -C 54 0A 24 -13,-2.2 -13,-3.2 -2,-0.4 2,-0.2 -0.977 35.3-115.1-147.0 158.1 17.5 46.9 87.5 68 69 A S E -C 53 0A 6 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.537 33.7-179.5 -91.8 162.1 17.9 44.4 90.3 69 70 A A E -C 52 0A 2 -17,-2.2 -17,-1.9 -2,-0.2 2,-0.8 -0.993 34.9-107.4-160.2 155.1 18.9 45.4 93.8 70 71 A N E > -C 51 0A 9 -2,-0.3 3,-1.7 213,-0.3 4,-0.4 -0.778 24.4-162.6 -87.6 108.3 19.7 44.0 97.3 71 72 A A T 3 S+ 0 0 0 -21,-2.4 -45,-2.1 -2,-0.8 -46,-0.5 0.685 83.6 72.8 -65.4 -17.5 16.7 45.0 99.5 72 73 A C T 3 S+ 0 0 12 1,-0.2 -1,-0.3 -47,-0.2 -48,-0.1 0.680 110.4 30.4 -71.5 -14.2 18.8 44.3 102.6 73 74 A L S < S+ 0 0 11 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.304 94.2 105.2-123.4 4.4 20.8 47.5 101.8 74 75 A A - 0 0 13 -3,-0.4 -49,-3.3 -4,-0.4 2,-0.2 -0.802 62.7-143.9 -94.3 111.9 18.2 49.6 100.1 75 76 A P B > -E 24 0B 7 0, 0.0 3,-1.7 0, 0.0 -51,-0.2 -0.565 11.3-136.9 -70.9 134.2 16.9 52.4 102.3 76 77 A I G > S+ 0 0 1 -53,-2.4 3,-2.0 1,-0.3 -52,-0.1 0.798 101.2 69.6 -62.6 -26.8 13.2 52.9 101.7 77 78 A C G 3 S+ 0 0 0 -54,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.648 93.4 56.3 -65.8 -14.8 13.8 56.7 101.8 78 79 A T G < S+ 0 0 30 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.337 95.8 70.8 -95.6 6.3 15.7 56.4 98.5 79 80 A L X + 0 0 3 -3,-2.0 3,-2.9 -4,-0.1 -71,-0.3 0.260 56.2 143.2-109.2 13.9 12.7 54.8 96.8 80 81 A H T 3 S+ 0 0 22 -3,-0.4 -73,-0.2 1,-0.3 3,-0.1 -0.364 85.9 2.0 -57.0 125.4 10.3 57.7 96.6 81 82 A H T 3 S+ 0 0 128 -75,-3.5 2,-0.4 1,-0.3 -24,-0.4 0.588 103.6 127.3 70.1 14.1 8.5 57.2 93.3 82 83 A V < - 0 0 9 -3,-2.9 -74,-2.1 -76,-0.2 2,-0.4 -0.838 55.2-135.4-101.4 138.1 10.3 54.0 92.6 83 84 A A E -bD 8 55A 36 -28,-2.5 -28,-2.4 -2,-0.4 2,-0.4 -0.807 17.4-153.0 -95.2 133.4 8.3 50.8 91.7 84 85 A V E -bD 9 54A 2 -76,-2.6 -74,-3.3 -2,-0.4 2,-0.5 -0.828 7.5-165.6-107.0 142.1 9.3 47.6 93.5 85 86 A T E - D 0 53A 21 -32,-2.2 -32,-2.3 -2,-0.4 2,-0.2 -0.970 9.9-177.4-130.6 117.2 8.8 44.1 92.1 86 87 A T > - 0 0 0 -2,-0.5 3,-1.9 -34,-0.2 4,-0.3 -0.540 45.9 -93.8-103.2 172.9 9.2 41.0 94.4 87 88 A V G > S+ 0 0 1 1,-0.3 3,-1.7 -36,-0.2 4,-0.5 0.881 126.3 56.0 -55.4 -41.3 8.9 37.4 93.6 88 89 A E G 3 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.652 98.2 66.9 -69.1 -8.9 5.2 37.4 94.6 89 90 A G G < S+ 0 0 35 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.528 100.1 45.6 -88.6 -5.0 4.7 40.1 92.1 90 91 A I S < S- 0 0 20 -3,-1.7 2,-0.2 1,-0.4 -1,-0.2 0.442 122.5 -39.3-116.8 -0.4 5.5 38.0 89.0 91 92 A G - 0 0 12 -4,-0.5 -1,-0.4 -3,-0.2 6,-0.3 -0.799 49.6-164.0 155.7 163.4 3.5 34.8 89.6 92 93 A S - 0 0 22 4,-1.1 3,-0.1 -2,-0.2 393,-0.1 -0.930 36.9-106.4-159.3 178.3 2.4 32.2 92.1 93 94 A T S S+ 0 0 62 -2,-0.3 4,-0.1 1,-0.2 392,-0.1 0.552 114.6 62.8 -92.5 -9.7 0.9 28.7 92.5 94 95 A K S S+ 0 0 182 2,-0.1 -1,-0.2 0, 0.0 2,-0.0 0.578 130.2 2.2 -87.0 -10.3 -2.5 30.1 93.6 95 96 A T S S- 0 0 106 -3,-0.1 2,-0.4 0, 0.0 -2,-0.1 0.202 122.6 -35.9-135.0-101.5 -2.7 31.7 90.1 96 97 A R - 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0 0 1 -3,-1.5 988,-0.5 -97,-0.1 2,-0.4 -0.985 53.2-165.9-124.7 126.8 23.4 35.2 94.0 146 147 A L - 0 0 18 -99,-2.7 2,-0.4 -2,-0.4 986,-0.1 -0.895 8.8-179.6-116.5 142.6 24.5 32.3 96.2 147 148 A C - 0 0 8 984,-0.4 4,-0.2 -2,-0.4 497,-0.0 -0.998 10.0-173.3-137.0 133.9 23.1 28.8 96.5 148 149 A R S S+ 0 0 13 -2,-0.4 954,-0.1 2,-0.1 -1,-0.1 0.583 79.3 50.8-103.9 -12.4 24.5 26.2 98.9 149 150 A C S S+ 0 0 5 952,-0.1 949,-0.2 1,-0.1 952,-0.1 0.889 103.8 43.0 -93.5 -46.8 22.3 23.3 97.8 150 151 A T S S- 0 0 0 -41,-0.2 948,-0.2 948,-0.1 3,-0.2 0.830 84.0-126.9 -78.8 -37.7 22.3 22.8 94.0 151 152 A G - 0 0 2 -4,-0.2 2,-1.3 1,-0.2 985,-0.1 0.469 50.0-102.5 97.0 1.8 25.9 23.2 92.7 152 153 A Y S > S+ 0 0 0 1,-0.1 4,-1.9 -43,-0.1 3,-0.5 -0.055 100.2 105.5 73.1 -34.5 24.4 25.7 90.3 153 154 A R H > S+ 0 0 46 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.871 78.9 47.7 -41.8 -57.7 24.4 23.4 87.3 154 155 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -45,-0.3 0.860 109.7 53.9 -55.0 -43.5 20.6 22.7 87.2 155 156 A I H > S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 3,-0.4 0.975 111.6 43.2 -58.7 -56.9 19.7 26.4 87.5 156 157 A L H < S+ 0 0 31 -4,-1.9 4,-0.4 1,-0.2 3,-0.2 0.891 112.8 53.5 -57.2 -41.5 21.8 27.5 84.6 157 158 A Q H >< S+ 0 0 121 -4,-2.4 3,-0.6 -5,-0.3 4,-0.3 0.844 107.4 51.7 -63.0 -35.0 20.6 24.5 82.5 158 159 A G H >< S+ 0 0 0 -4,-2.0 3,-0.5 -3,-0.4 -1,-0.2 0.798 109.3 48.6 -73.5 -29.1 17.0 25.4 83.1 159 160 A F G >< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.2 -1,-0.2 0.430 87.0 87.9 -90.2 2.0 17.5 29.0 82.0 160 161 A R G X S+ 0 0 154 -3,-0.6 3,-1.9 -4,-0.4 -1,-0.2 0.813 73.8 71.2 -68.7 -27.8 19.2 28.0 78.8 161 162 A T G < S+ 0 0 87 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.675 93.2 57.4 -61.9 -16.3 15.9 27.8 77.1 162 163 A F G < S+ 0 0 38 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.539 94.3 86.5 -91.1 -9.5 15.7 31.6 77.2 163 164 A A < 0 0 7 -3,-1.9 -29,-0.2 -4,-0.2 -3,-0.0 -0.054 360.0 360.0 -82.1-173.1 18.9 32.2 75.3 164 165 A K 0 0 185 -31,-0.6 -1,-0.1 -32,-0.1 -32,-0.1 -0.526 360.0 360.0 79.6 360.0 19.8 32.4 71.6 165 !* 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 0.0 166 224 B P 0 0 140 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 88.9 10.9 67.3 92.1 167 225 B K - 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0 0 0 -2,-1.2 44,-0.5 41,-0.8 45,-0.3 -0.473 13.4-170.8 -66.2 124.5 17.9 67.2 97.9 182 240 B S + 0 0 13 -2,-0.3 2,-0.3 43,-0.1 -1,-0.1 0.453 67.8 41.7 -95.9 -0.8 16.3 67.9 94.6 183 241 B T S > S- 0 0 47 43,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.998 73.0-127.5-148.5 149.1 18.9 70.5 93.5 184 242 B L H > S+ 0 0 15 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.776 114.2 55.4 -63.3 -26.0 22.7 71.0 93.6 185 243 B K H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 108.2 46.9 -70.7 -48.2 22.0 74.4 95.2 186 244 B E H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.906 112.8 51.2 -58.1 -43.3 20.1 72.7 98.0 187 245 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.927 108.9 48.3 -61.5 -48.4 22.8 70.2 98.4 188 246 B L H X S+ 0 0 17 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.857 113.6 49.7 -62.3 -33.4 25.6 72.7 98.7 189 247 B D H X S+ 0 0 52 -4,-2.1 4,-3.9 2,-0.2 5,-0.3 0.978 112.1 45.5 -67.1 -56.0 23.5 74.6 101.2 190 248 B L H X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 7,-0.2 0.845 114.0 49.1 -56.7 -38.4 22.8 71.5 103.4 191 249 B K H < S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.6 44.8 -70.8 -35.1 26.4 70.4 103.2 192 250 B A H < S+ 0 0 17 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.935 116.0 45.2 -71.8 -48.0 27.5 73.9 104.2 193 251 B Q H < S+ 0 0 110 -4,-3.9 -2,-0.2 1,-0.3 -3,-0.2 0.823 130.5 26.3 -64.8 -31.1 24.9 74.2 106.9 194 252 B H >< + 0 0 72 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.3 -0.627 64.5 169.5-136.2 76.9 25.8 70.7 108.1 195 253 B P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.937 81.1 56.8 -49.7 -54.1 29.3 69.6 107.3 196 254 B E T 3 S+ 0 0 120 2,-0.1 23,-0.1 147,-0.0 -5,-0.1 0.706 83.8 115.5 -51.2 -27.5 29.1 66.5 109.4 197 255 B A < - 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0 0 83 0, 0.0 3,-2.3 0, 0.0 4,-1.3 -0.493 35.9-121.2 -72.5 141.2 40.0 53.1 68.6 263 321 B T T 34 S+ 0 0 96 1,-0.3 3,-0.2 2,-0.2 -2,-0.1 0.842 112.5 61.3 -51.1 -36.3 41.7 50.6 70.9 264 322 B Q T 34 S+ 0 0 45 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.713 105.9 46.5 -66.9 -18.4 44.5 53.2 71.5 265 323 B K T <4 S+ 0 0 85 -3,-2.3 89,-3.9 1,-0.2 4,-0.2 0.750 107.0 56.6 -93.0 -26.1 41.9 55.6 73.0 266 324 B T X + 0 0 1 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 -0.025 68.9 114.0 -96.6 29.5 40.2 53.1 75.3 267 325 B E H > S+ 0 0 5 -3,-0.3 4,-1.7 2,-0.2 3,-0.5 0.995 82.0 38.0 -63.8 -64.4 43.2 51.8 77.4 268 326 B V H > S+ 0 0 4 1,-0.3 4,-1.9 84,-0.2 5,-0.2 0.885 114.2 58.0 -53.5 -41.9 42.2 53.2 80.8 269 327 B F H > S+ 0 0 1 83,-0.3 4,-2.1 -4,-0.2 -1,-0.3 0.905 103.1 53.7 -54.3 -44.3 38.6 52.4 80.1 270 328 B R H X S+ 0 0 65 -4,-1.8 4,-1.5 -3,-0.5 -1,-0.2 0.928 106.7 51.9 -56.1 -47.6 39.6 48.8 79.6 271 329 B G H X S+ 0 0 4 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.851 108.8 49.7 -59.3 -38.1 41.3 48.7 83.0 272 330 B V H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.862 108.8 52.1 -69.9 -35.8 38.2 50.0 84.7 273 331 B L H < S+ 0 0 18 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.777 105.8 57.3 -70.5 -25.2 36.0 47.4 83.0 274 332 B E H >X S+ 0 0 86 -4,-1.5 3,-0.8 -5,-0.2 4,-0.6 0.895 107.0 46.3 -69.8 -42.8 38.5 44.8 84.3 275 333 B Q H 3< S+ 0 0 3 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 109.0 56.1 -69.6 -32.0 38.0 45.8 87.9 276 334 B L T >< S+ 0 0 2 -4,-1.6 3,-0.6 -5,-0.1 -1,-0.2 0.553 95.8 72.8 -77.0 -8.2 34.2 45.9 87.4 277 335 B R T <4 S+ 0 0 125 -3,-0.8 2,-2.8 -4,-0.3 -2,-0.1 0.987 102.9 29.6 -68.4 -82.4 34.2 42.3 86.2 278 336 B W T 3< S+ 0 0 155 -4,-0.6 2,-0.4 3,-0.0 -1,-0.2 -0.303 100.8 125.6 -76.8 56.4 34.9 40.0 89.3 279 337 B F S < S- 0 0 25 -2,-2.8 6,-0.2 -3,-0.6 5,-0.1 -0.977 78.6 -69.6-123.0 126.1 33.2 42.8 91.2 280 338 B A S S- 0 0 55 -2,-0.4 2,-0.3 4,-0.1 -1,-0.0 0.142 77.4 -79.5 28.9-124.4 30.2 42.2 93.5 281 339 B G > - 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