==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 30-SEP-02 1MWI . COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*AP*GP*(AAB)P*TP*CP*GP*CP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.E.BARRETT,R.SAVVA,G.PANAYOTOU,T.BROWN,T.BARLOW,J.JIRICNY, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.8 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 . 1 0.6 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 114 0, 0.0 2,-0.6 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 128.7 22.1 38.7 12.3 2 2 A V - 0 0 15 69,-0.2 26,-0.1 26,-0.0 2,-0.1 -0.891 360.0-134.0-102.7 123.1 18.3 38.7 11.9 3 3 A E - 0 0 157 24,-0.6 2,-0.1 -2,-0.6 63,-0.0 -0.415 21.0-110.3 -75.4 146.6 16.5 41.9 12.6 4 4 A D - 0 0 39 -2,-0.1 2,-0.5 1,-0.1 63,-0.2 -0.405 17.7-147.9 -72.2 152.0 13.3 42.1 14.7 5 5 A I B +A 66 0A 6 61,-2.8 61,-1.8 -2,-0.1 2,-0.3 -0.848 43.4 141.0-124.0 87.8 10.0 43.0 13.0 6 6 A L + 0 0 28 -2,-0.5 54,-0.1 59,-0.2 59,-0.0 -0.928 16.3 152.3-132.1 158.7 8.0 44.9 15.6 7 7 A A > - 0 0 23 -2,-0.3 3,-0.6 56,-0.0 2,-0.1 -0.954 46.9 -85.2-171.9 163.1 5.7 47.9 15.9 8 8 A P T 3 S+ 0 0 100 0, 0.0 92,-0.1 0, 0.0 91,-0.1 -0.468 104.8 37.6 -77.6 159.1 2.9 49.1 18.2 9 9 A G T 3 S+ 0 0 58 90,-0.8 2,-0.2 91,-0.4 91,-0.1 0.674 78.1 150.1 76.7 19.5 -0.7 47.9 17.4 10 10 A L < - 0 0 5 -3,-0.6 92,-2.1 89,-0.4 -1,-0.2 -0.542 43.4-149.3 -85.9 149.1 0.2 44.3 16.4 11 11 A R S S+ 0 0 42 52,-3.4 92,-1.5 1,-0.3 2,-0.3 0.911 83.1 10.3 -78.0 -47.2 -2.2 41.4 16.9 12 12 A V E -bc 64 103A 0 51,-1.2 53,-2.4 90,-0.2 2,-0.5 -0.990 55.3-159.7-138.7 142.2 0.5 38.9 17.4 13 13 A V E -bc 65 104A 1 90,-1.7 92,-2.7 -2,-0.3 2,-0.5 -0.992 21.6-148.7-118.2 115.4 4.3 38.9 17.8 14 14 A F E -bc 66 105A 0 51,-3.8 53,-3.0 -2,-0.5 2,-0.5 -0.796 13.0-166.9 -87.2 131.2 5.8 35.5 16.9 15 15 A C E -bc 67 106A 1 90,-2.6 92,-2.6 -2,-0.5 53,-0.3 -0.976 3.0-170.5-124.9 117.3 8.9 34.7 18.9 16 16 A G E -b 68 0A 5 51,-2.2 53,-2.5 -2,-0.5 54,-0.2 -0.421 33.8-108.1 -94.0 177.8 11.1 31.8 17.9 17 17 A I S S- 0 0 15 1,-0.3 53,-3.2 90,-0.3 52,-0.2 0.998 82.2 -40.7 -68.8 -68.4 14.0 30.3 19.9 18 18 A N S S- 0 0 24 51,-0.2 -1,-0.3 50,-0.1 2,-0.2 -0.933 73.1 -79.2-154.4 164.1 17.0 31.6 17.9 19 19 A P - 0 0 12 0, 0.0 55,-2.0 0, 0.0 49,-0.0 -0.512 41.7-127.4 -74.7 141.4 17.7 31.9 14.2 20 20 A G > - 0 0 25 -2,-0.2 4,-1.4 53,-0.2 55,-0.2 -0.049 38.5 -91.2 -69.9-173.5 18.8 28.8 12.2 21 21 A L H > S+ 0 0 104 2,-0.2 4,-1.1 1,-0.2 54,-0.1 0.800 123.9 42.6 -77.5 -24.7 22.0 29.0 10.2 22 22 A S H > S+ 0 0 39 2,-0.2 4,-3.4 3,-0.1 5,-0.3 0.880 112.7 51.5 -85.6 -38.2 20.4 30.2 6.9 23 23 A S H >>S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.5 0.895 111.0 51.2 -61.9 -38.8 18.0 32.7 8.5 24 24 A A H <5S+ 0 0 15 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.4 43.7 -63.0 -41.8 21.1 34.0 10.2 25 25 A G H <5S+ 0 0 67 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 119.2 39.7 -73.5 -37.1 22.9 34.2 6.9 26 26 A T H <5S- 0 0 76 -4,-3.4 -2,-0.2 2,-0.2 -1,-0.2 0.716 101.6-127.2 -85.3 -24.7 20.0 35.7 4.8 27 27 A G T <5S+ 0 0 27 -4,-2.2 -24,-0.6 -5,-0.3 -3,-0.2 0.575 72.8 112.1 88.3 9.6 18.9 38.1 7.5 28 28 A F S > S- 0 0 98 1,-0.1 3,-2.3 21,-0.1 -12,-0.0 -0.525 72.1-139.0 -69.0 129.5 15.1 27.8 5.6 33 33 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.657 100.8 65.6 -60.6 -21.1 12.6 26.2 3.3 34 34 A A T 3 S+ 0 0 55 2,-0.0 2,-0.3 110,-0.0 -2,-0.1 0.741 83.6 96.9 -72.8 -21.1 12.3 23.1 5.5 35 35 A N < - 0 0 35 -3,-2.3 3,-0.3 107,-0.1 4,-0.3 -0.542 65.8-153.9 -73.6 129.1 10.8 25.4 8.1 36 36 A R > + 0 0 41 105,-3.1 4,-2.9 -2,-0.3 3,-0.3 0.522 64.1 105.5 -79.1 -8.7 7.0 25.4 8.2 37 37 A F H > S+ 0 0 0 1,-0.2 4,-2.5 104,-0.2 5,-0.3 0.838 80.6 41.6 -40.7 -59.5 6.5 29.0 9.6 38 38 A W H > S+ 0 0 10 -3,-0.3 4,-1.2 -8,-0.3 13,-0.3 0.876 117.7 47.0 -63.1 -39.0 5.4 30.9 6.5 39 39 A K H > S+ 0 0 72 -3,-0.3 4,-3.2 -4,-0.3 5,-0.2 0.939 113.0 51.0 -67.7 -44.3 3.1 28.1 5.3 40 40 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.915 110.4 44.6 -60.3 -50.3 1.6 27.7 8.8 41 41 A I H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 6,-1.2 0.793 115.3 51.5 -68.4 -24.6 0.7 31.4 9.5 42 42 A Y H ><5S+ 0 0 96 -4,-1.2 3,-1.1 -5,-0.3 -2,-0.2 0.971 116.7 37.6 -71.5 -54.7 -0.7 31.6 5.9 43 43 A Q H 3<5S+ 0 0 79 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.795 111.9 59.2 -66.4 -29.6 -2.9 28.5 6.4 44 44 A A T 3<5S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.604 121.6-106.8 -73.4 -16.5 -3.7 29.4 10.0 45 45 A G T < 5S+ 0 0 40 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.529 88.1 114.3 106.6 7.0 -5.1 32.7 8.7 46 46 A F S - 0 0 125 -2,-0.1 3,-2.5 1,-0.1 4,-0.2 -0.558 30.5-108.1 -81.3 155.1 8.6 34.4 1.2 53 53 A P G > S+ 0 0 26 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.906 120.4 57.3 -50.9 -43.5 11.2 34.9 4.0 54 54 A Q G 3 S+ 0 0 101 1,-0.3 3,-0.2 2,-0.1 -23,-0.0 0.486 97.7 61.9 -69.3 -2.0 12.5 38.0 2.2 55 55 A E G X S+ 0 0 42 -3,-2.5 3,-2.3 1,-0.1 -1,-0.3 0.300 70.8 117.4-101.6 7.8 9.0 39.5 2.3 56 56 A A G X + 0 0 1 -3,-2.2 3,-2.4 1,-0.3 4,-0.3 0.765 60.4 65.8 -45.9 -41.5 9.2 39.4 6.2 57 57 A Q G > S+ 0 0 118 1,-0.3 3,-1.2 -3,-0.2 -1,-0.3 0.819 91.4 67.7 -54.8 -28.9 8.9 43.2 6.7 58 58 A H G X> S+ 0 0 91 -3,-2.3 3,-1.1 1,-0.2 4,-0.6 0.524 73.0 87.1 -72.3 -3.3 5.4 43.0 5.3 59 59 A L G X4>S+ 0 0 0 -3,-2.4 5,-1.9 1,-0.3 3,-1.4 0.864 79.1 65.7 -61.4 -34.2 4.2 41.0 8.3 60 60 A L G X45S+ 0 0 45 -3,-1.2 3,-1.7 -4,-0.3 -1,-0.3 0.818 90.4 65.0 -56.9 -31.4 3.5 44.4 9.9 61 61 A D G <45S+ 0 0 109 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.819 104.5 43.6 -60.6 -34.5 0.9 44.9 7.2 62 62 A Y G <<5S- 0 0 53 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.256 123.5-109.7 -92.9 9.2 -1.1 42.0 8.7 63 63 A R T < 5S+ 0 0 164 -3,-1.7 -52,-3.4 1,-0.3 -51,-1.2 0.884 78.6 130.0 59.4 44.9 -0.4 43.5 12.1 64 64 A C E < - b 0 12A 0 -5,-1.9 2,-0.3 -54,-0.2 -1,-0.3 -0.914 37.0-167.4-124.8 147.1 2.0 40.6 12.9 65 65 A G E - b 0 13A 0 -53,-2.4 -51,-3.8 -2,-0.3 2,-0.4 -0.898 7.2-148.4-133.8 164.5 5.5 40.8 14.2 66 66 A V E +Ab 5 14A 6 -61,-1.8 -61,-2.8 -2,-0.3 2,-0.3 -1.000 24.3 148.0-140.4 134.3 8.5 38.4 14.7 67 67 A T E - b 0 15A 4 -53,-3.0 -51,-2.2 -2,-0.4 2,-0.3 -0.850 30.0-128.6-147.2-178.9 11.3 38.3 17.2 68 68 A K E - b 0 16A 18 -53,-0.3 -51,-0.2 -2,-0.3 3,-0.1 -0.992 13.3-134.9-141.7 150.2 13.4 35.6 18.9 69 69 A L S S+ 0 0 10 -53,-2.5 2,-0.4 -2,-0.3 -51,-0.2 0.915 97.5 30.7 -67.5 -44.6 14.3 34.8 22.5 70 70 A V - 0 0 11 -53,-3.2 -1,-0.2 -54,-0.2 15,-0.1 -0.971 62.7-160.1-125.0 123.9 18.1 34.3 21.7 71 71 A D + 0 0 97 -2,-0.4 -69,-0.2 -53,-0.2 -1,-0.1 0.881 61.5 103.9 -64.6 -46.9 20.0 36.2 19.0 72 72 A R S S- 0 0 104 1,-0.1 -2,-0.1 -54,-0.1 -48,-0.0 -0.190 74.5-124.6 -45.2 115.5 22.9 33.8 18.6 73 73 A P + 0 0 54 0, 0.0 2,-0.3 0, 0.0 -53,-0.2 -0.311 39.2 165.1 -64.0 147.3 22.6 31.7 15.4 74 74 A T - 0 0 8 -55,-2.0 3,-0.1 1,-0.1 -53,-0.1 -0.977 44.1-125.3-163.6 147.6 22.6 27.9 15.9 75 75 A V S S+ 0 0 95 -2,-0.3 2,-0.4 -55,-0.2 -54,-0.1 0.909 98.1 27.1 -63.8 -46.4 21.7 24.8 13.8 76 76 A Q S > S- 0 0 73 1,-0.1 3,-2.8 -56,-0.1 -1,-0.2 -0.977 74.7-129.5-124.1 139.6 19.4 23.3 16.5 77 77 A A G > S+ 0 0 47 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.779 106.2 67.5 -51.9 -31.8 17.4 25.1 19.2 78 78 A N G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.588 82.4 73.4 -67.9 -11.1 18.8 22.7 21.7 79 79 A E G < S+ 0 0 87 -3,-2.8 2,-0.5 2,-0.1 -1,-0.3 0.480 81.1 89.7 -79.1 -4.6 22.3 24.2 21.3 80 80 A V S < S- 0 0 10 -3,-1.7 2,-0.1 -4,-0.2 -62,-0.0 -0.823 80.2-131.6 -93.0 129.8 20.9 27.2 23.2 81 81 A S > - 0 0 36 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.425 17.0-116.5 -80.2 161.6 21.3 26.9 27.0 82 82 A K H > S+ 0 0 130 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.832 116.4 59.2 -64.5 -30.7 18.6 27.5 29.5 83 83 A Q H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 107.2 43.9 -64.9 -45.8 20.7 30.4 30.8 84 84 A E H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.907 114.4 51.3 -64.7 -43.2 20.6 32.2 27.4 85 85 A L H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.942 110.7 47.9 -59.9 -46.9 16.8 31.3 27.1 86 86 A H H X S+ 0 0 64 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.891 112.0 49.5 -62.2 -39.5 16.1 32.8 30.5 87 87 A A H X S+ 0 0 34 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.883 110.1 52.1 -65.0 -39.2 18.1 35.9 29.7 88 88 A G H X S+ 0 0 5 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.928 102.9 58.0 -63.4 -43.8 16.2 36.2 26.5 89 89 A G H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.856 103.6 53.5 -54.7 -37.0 12.9 36.0 28.3 90 90 A R H X S+ 0 0 140 -4,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.920 113.8 40.9 -65.1 -44.7 13.9 39.0 30.4 91 91 A K H X S+ 0 0 128 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.849 109.7 58.9 -72.3 -37.9 14.6 41.1 27.3 92 92 A L H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 3,-0.2 0.921 100.8 57.4 -56.3 -44.9 11.6 39.8 25.4 93 93 A I H X S+ 0 0 55 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.866 104.2 51.4 -55.1 -39.2 9.4 41.1 28.2 94 94 A E H X S+ 0 0 111 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.875 108.5 51.7 -66.5 -39.2 10.7 44.7 27.7 95 95 A K H X S+ 0 0 52 -4,-1.6 4,-2.5 -3,-0.2 5,-0.3 0.859 110.1 49.5 -64.4 -37.0 9.9 44.4 24.0 96 96 A I H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.953 110.3 48.8 -68.2 -45.8 6.4 43.4 24.9 97 97 A E H < S+ 0 0 110 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.827 113.7 51.1 -61.6 -31.9 6.0 46.3 27.3 98 98 A D H < S+ 0 0 98 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.991 125.0 20.5 -68.3 -62.3 7.4 48.5 24.5 99 99 A Y H < S- 0 0 70 -4,-2.5 -90,-0.8 -91,-0.1 -89,-0.4 0.671 86.3-152.8 -85.0 -21.8 5.1 47.5 21.6 100 100 A Q < - 0 0 135 -4,-3.1 -91,-0.4 -5,-0.3 -3,-0.1 0.924 16.2-169.4 48.3 63.9 2.2 46.0 23.5 101 101 A P - 0 0 2 0, 0.0 -90,-0.2 0, 0.0 3,-0.1 -0.381 34.1-114.1 -75.3 164.5 0.9 43.5 21.0 102 102 A Q S S+ 0 0 87 -92,-2.1 32,-2.2 1,-0.2 2,-0.3 0.884 97.9 12.0 -64.8 -36.7 -2.5 41.8 21.7 103 103 A A E -cd 12 134A 0 -92,-1.5 -90,-1.7 30,-0.2 2,-0.5 -0.997 59.5-148.6-147.3 147.2 -0.7 38.5 22.0 104 104 A L E -cd 13 135A 0 30,-2.3 32,-2.7 -2,-0.3 2,-0.6 -0.962 18.5-158.9-111.3 125.3 2.8 37.1 22.3 105 105 A A E -cd 14 136A 0 -92,-2.7 -90,-2.6 -2,-0.5 2,-0.6 -0.931 1.3-159.2-113.2 108.9 3.2 33.6 20.7 106 106 A I E -cd 15 137A 1 30,-3.1 32,-2.7 -2,-0.6 2,-1.3 -0.790 12.7-142.6 -88.9 120.5 6.2 31.6 22.0 107 107 A L E S+ d 0 138A 0 -92,-2.6 -90,-0.3 -2,-0.6 33,-0.1 -0.684 72.3 32.2 -88.0 88.8 7.1 29.0 19.5 108 108 A G > - 0 0 10 30,-1.9 4,-2.2 -2,-1.3 5,-0.1 -0.008 68.1-130.1 132.5 124.6 8.1 25.9 21.6 109 109 A K H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 111.7 46.1 -61.9 -47.6 7.0 24.6 25.0 110 110 A Q H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 109.6 55.2 -62.9 -38.8 10.5 24.3 26.3 111 111 A A H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.935 110.6 45.5 -60.2 -47.0 11.4 27.7 25.0 112 112 A Y H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.953 113.2 49.3 -61.3 -52.4 8.5 29.2 27.0 113 113 A E H X>S+ 0 0 26 -4,-2.7 5,-1.6 1,-0.2 4,-1.1 0.904 117.5 40.6 -54.9 -44.9 9.3 27.3 30.2 114 114 A Q H <5S+ 0 0 36 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.904 117.6 45.3 -71.6 -47.3 13.0 28.3 30.0 115 115 A G H <5S+ 0 0 3 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.822 128.9 28.1 -67.5 -29.8 12.5 31.9 29.0 116 116 A F H <5S- 0 0 21 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.390 102.9-122.3-112.9 1.6 9.8 32.4 31.5 117 117 A S T <5 + 0 0 74 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.977 57.7 150.8 53.6 61.0 10.7 29.9 34.2 118 118 A Q < - 0 0 75 -5,-1.6 2,-0.3 -6,-0.1 3,-0.2 -0.911 36.9-137.3-120.7 150.4 7.5 28.0 34.1 119 119 A R S S- 0 0 96 -2,-0.3 -5,-0.0 1,-0.2 0, 0.0 -0.833 73.5 -5.4-111.6 147.8 6.9 24.3 34.8 120 120 A G S S- 0 0 55 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.809 79.2-171.4 40.5 49.3 4.8 21.8 33.0 121 121 A A - 0 0 17 -3,-0.2 2,-0.3 -12,-0.1 -1,-0.1 -0.397 12.0-139.2 -69.1 144.8 3.4 24.3 30.6 122 122 A Q - 0 0 142 3,-0.1 15,-0.2 1,-0.1 -1,-0.0 -0.793 27.3 -95.1-105.0 149.0 0.6 23.1 28.3 123 123 A W S S+ 0 0 144 -2,-0.3 2,-0.3 13,-0.1 15,-0.2 -0.221 88.9 27.0 -55.9 154.8 0.2 24.0 24.6 124 124 A G E S+E 137 0A 9 13,-2.8 13,-2.4 -3,-0.0 2,-0.2 -0.650 105.7 7.2 97.1-156.9 -2.0 27.0 23.9 125 125 A K E -E 136 0A 125 -2,-0.3 11,-0.3 11,-0.2 2,-0.2 -0.470 63.4-151.5 -69.1 137.3 -3.1 30.0 25.9 126 126 A Q E - 0 0 26 9,-3.4 9,-0.4 2,-0.2 -1,-0.0 -0.635 20.6-131.5-105.3 163.2 -1.3 30.6 29.3 127 127 A T E S+ 0 0 145 -2,-0.2 -1,-0.1 7,-0.1 9,-0.1 0.699 83.3 99.3 -82.5 -25.5 -2.8 32.3 32.3 128 128 A L E - 0 0 52 7,-0.1 7,-0.9 6,-0.1 2,-0.3 -0.335 55.4-178.8 -61.4 143.3 0.5 34.4 32.4 129 129 A T E -E 134 0A 80 5,-0.2 2,-0.5 -26,-0.0 5,-0.2 -0.895 33.1-140.1-141.9 164.6 0.4 37.9 30.9 130 130 A I E > S-E 133 0A 17 3,-2.4 3,-2.8 -2,-0.3 2,-0.2 -0.913 76.1 -62.6-126.4 96.9 2.5 40.9 30.2 131 131 A G T 3 S- 0 0 68 -2,-0.5 -1,-0.0 1,-0.3 -34,-0.0 -0.396 120.1 -15.7 61.7-119.9 0.2 43.8 31.0 132 132 A S T 3 S+ 0 0 121 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.376 115.3 105.6 -94.7 1.7 -2.6 43.5 28.6 133 133 A T E < - E 0 130A 4 -3,-2.8 -3,-2.4 -30,-0.1 -30,-0.2 -0.754 62.3-147.4 -87.9 121.0 -0.7 41.1 26.3 134 134 A Q E -dE 103 129A 50 -32,-2.2 -30,-2.3 -2,-0.5 2,-0.5 -0.566 13.4-131.1 -84.5 154.7 -1.9 37.5 26.6 135 135 A I E -d 104 0A 0 -7,-0.9 -9,-3.4 -9,-0.4 2,-0.3 -0.936 22.6-178.9-118.7 129.7 0.6 34.7 26.2 136 136 A W E -dE 105 125A 10 -32,-2.7 -30,-3.1 -2,-0.5 2,-0.5 -0.886 18.8-146.6-121.4 152.0 0.4 31.6 24.0 137 137 A V E -dE 106 124A 1 -13,-2.4 -13,-2.8 -2,-0.3 -30,-0.2 -0.977 25.2-179.1-119.9 111.7 2.7 28.6 23.5 138 138 A L E -d 107 0A 2 -32,-2.7 -30,-1.9 -2,-0.5 2,-0.1 -0.797 36.0 -90.2-112.2 155.3 2.6 27.3 19.9 139 139 A P - 0 0 11 0, 0.0 -1,-0.0 0, 0.0 17,-0.0 -0.401 48.0-106.8 -63.3 137.7 4.4 24.3 18.3 140 140 A N - 0 0 37 1,-0.1 7,-0.2 -33,-0.1 5,-0.1 -0.535 22.4-136.9 -69.0 131.5 7.8 25.3 16.8 141 141 A P + 0 0 0 0, 0.0 -105,-3.1 0, 0.0 -104,-0.2 0.324 58.3 131.6 -70.6 2.3 7.5 25.3 12.9 142 142 A S > - 0 0 34 -107,-0.2 3,-1.2 1,-0.1 -107,-0.1 -0.279 64.9-131.0 -60.5 147.1 10.9 23.5 12.5 143 143 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.1 3,-0.1 -108,-0.1 0.646 106.1 69.1 -70.8 -15.2 11.1 20.5 10.2 144 144 A L T 3 S+ 0 0 94 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.715 81.5 87.8 -73.8 -26.3 12.9 18.8 13.0 145 145 A S S < S- 0 0 37 -3,-1.2 0, 0.0 -5,-0.1 0, 0.0 -0.524 74.2-144.6 -72.4 145.4 9.7 18.7 15.1 146 146 A R + 0 0 223 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.394 64.6 118.1 -91.5 2.4 7.6 15.6 14.4 147 147 A V - 0 0 48 -7,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.533 69.2-121.4 -68.9 128.1 4.4 17.7 14.8 148 148 A S >> - 0 0 66 -2,-0.3 4,-2.8 1,-0.1 3,-0.6 -0.378 14.4-112.0 -74.1 158.5 2.6 17.6 11.5 149 149 A L H 3> S+ 0 0 56 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.895 119.2 55.3 -52.3 -44.2 1.7 20.6 9.3 150 150 A E H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.864 110.8 44.0 -58.7 -40.2 -2.0 19.9 10.1 151 151 A K H <> S+ 0 0 43 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.884 113.3 52.1 -72.4 -40.5 -1.3 20.0 13.8 152 152 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.966 111.1 46.6 -58.7 -53.4 0.9 23.1 13.4 153 153 A V H X S+ 0 0 4 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.894 111.2 51.6 -57.1 -44.4 -1.8 25.0 11.5 154 154 A E H X S+ 0 0 92 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.917 109.3 49.8 -60.9 -45.1 -4.6 24.0 13.9 155 155 A A H X S+ 0 0 21 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.903 115.5 43.4 -60.6 -44.0 -2.6 25.3 16.9 156 156 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 3,-0.2 0.872 110.6 54.6 -71.8 -38.0 -1.9 28.6 15.2 157 157 A R H X S+ 0 0 71 -4,-2.9 4,-3.5 1,-0.2 5,-0.3 0.901 100.4 60.0 -62.5 -41.9 -5.4 29.0 13.9 158 158 A E H X S+ 0 0 93 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.891 107.6 47.2 -52.9 -38.3 -6.8 28.6 17.4 159 159 A L H >X S+ 0 0 0 -4,-0.9 4,-1.2 -3,-0.2 3,-0.7 0.949 111.9 49.1 -69.3 -47.4 -4.7 31.7 18.3 160 160 A D H >< S+ 0 0 34 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.935 109.7 51.8 -57.4 -47.9 -5.9 33.6 15.2 161 161 A Q H 3< S+ 0 0 127 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.743 106.6 55.5 -61.5 -25.6 -9.5 32.8 16.0 162 162 A A H << S+ 0 0 45 -4,-1.0 2,-1.5 -3,-0.7 -1,-0.2 0.751 88.2 77.7 -81.4 -24.8 -9.1 34.1 19.5 163 163 A L S << S- 0 0 5 -4,-1.2 -1,-0.2 -3,-0.8 -60,-0.0 -0.642 81.9-156.1 -89.1 84.4 -7.9 37.6 18.6 164 164 A V 0 0 104 -2,-1.5 -2,-0.1 -3,-0.0 -3,-0.0 0.108 360.0 360.0 -59.2 170.5 -11.2 39.1 17.7 165 165 A V 0 0 188 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.658 360.0 360.0 90.1 360.0 -12.2 42.1 15.4