==== 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 HYDROLASE 03-AUG-06 2HXD . COMPND 2 MOLECULE: DCTP DEAMINASE, DUMP-FORMING; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.H.BYNCK,E.JOHANSSON . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 26.1 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 0.5 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 2 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 0 181 0, 0.0 167,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 99.9 47.4 44.1 124.2 2 2 A I B -A 167 0A 96 165,-0.2 165,-0.2 1,-0.0 2,-0.1 -0.839 360.0-117.9-109.3 134.0 49.8 43.0 121.5 3 3 A L - 0 0 6 163,-1.6 163,-0.2 -2,-0.4 2,-0.2 -0.439 27.9-151.2 -68.6 138.9 49.7 39.8 119.5 4 4 A S > - 0 0 29 -2,-0.1 4,-2.9 161,-0.1 26,-0.3 -0.487 39.0 -83.4 -97.6 175.7 52.6 37.4 119.9 5 5 A D H > S+ 0 0 65 24,-3.4 4,-3.1 1,-0.2 5,-0.2 0.927 131.9 46.0 -40.5 -55.4 54.0 34.9 117.4 6 6 A K H > S+ 0 0 144 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.905 111.8 50.6 -65.2 -40.3 51.4 32.3 118.6 7 7 A D H > S+ 0 0 65 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.897 114.1 45.0 -57.5 -42.0 48.5 34.8 118.4 8 8 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.971 115.6 46.4 -67.1 -53.7 49.5 35.9 114.9 9 9 A I H X S+ 0 0 34 -4,-3.1 4,-3.4 -5,-0.2 -2,-0.2 0.908 116.3 46.0 -55.2 -45.8 50.0 32.3 113.8 10 10 A D H X S+ 0 0 94 -4,-3.2 4,-2.9 -5,-0.2 6,-0.2 0.929 111.7 50.1 -66.4 -43.5 46.7 31.3 115.4 11 11 A Y H <>S+ 0 0 32 -4,-3.0 6,-2.1 -5,-0.2 5,-2.0 0.789 117.2 42.3 -63.7 -28.7 44.8 34.3 113.9 12 12 A V H ><5S+ 0 0 26 -4,-2.0 3,-3.3 3,-0.2 -2,-0.2 0.955 112.4 52.0 -78.9 -57.7 46.2 33.4 110.5 13 13 A T H 3<5S+ 0 0 106 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.849 112.2 48.8 -37.6 -46.7 45.6 29.7 111.0 14 14 A S T 3<5S- 0 0 70 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.408 110.9-124.1 -78.2 -0.7 41.9 30.7 111.9 15 15 A K T < 5S+ 0 0 177 -3,-3.3 -3,-0.2 2,-0.3 3,-0.2 0.627 80.1 119.4 61.6 22.3 41.6 32.9 108.8 16 16 A R S - 0 0 61 -2,-0.4 3,-1.8 10,-0.1 10,-0.2 -0.967 18.9-153.3-138.1 119.8 55.6 32.8 105.5 24 24 A K G > S+ 0 0 133 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.720 93.3 69.1 -71.0 -22.7 55.7 31.5 109.0 25 25 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.736 92.5 59.8 -65.8 -20.8 59.4 32.2 109.1 26 26 A F G < S+ 0 0 48 -3,-1.8 7,-3.0 7,-0.1 2,-0.5 0.362 79.3 105.0 -88.3 -2.4 58.7 35.9 109.1 27 27 A V B < -B 32 0A 21 -3,-1.5 5,-0.2 5,-0.2 -22,-0.1 -0.748 53.6-173.5 -78.5 121.9 56.6 35.7 112.3 28 28 A G - 0 0 19 3,-3.1 3,-0.3 -2,-0.5 -2,-0.1 -0.508 46.4 -74.9-105.7-177.6 58.8 37.2 115.1 29 29 A P S S- 0 0 103 0, 0.0 -24,-3.4 0, 0.0 -23,-0.2 0.888 124.6 -5.3 -45.4 -49.7 58.1 37.2 118.9 30 30 A C S S+ 0 0 63 -26,-0.3 2,-0.3 -25,-0.1 136,-0.3 0.050 125.4 54.0-142.4 33.5 55.4 40.0 118.5 31 31 A S - 0 0 9 -3,-0.3 -3,-3.1 134,-0.2 2,-0.5 -0.983 66.5-124.4-160.3 154.5 55.4 41.2 114.8 32 32 A Y E -BC 27 164A 0 132,-2.2 132,-2.8 -2,-0.3 2,-0.4 -0.932 29.8-130.7-101.9 121.4 55.0 39.9 111.2 33 33 A D E - C 0 163A 19 -7,-3.0 130,-0.3 -2,-0.5 2,-0.2 -0.580 24.4-159.4 -71.7 122.5 57.9 40.8 108.8 34 34 A V E - C 0 162A 0 128,-2.4 127,-1.5 -2,-0.4 128,-0.9 -0.631 7.0-132.2-104.6 161.3 56.7 42.3 105.5 35 35 A T E - C 0 160A 10 125,-0.2 66,-1.8 -2,-0.2 2,-0.5 -0.827 19.7-103.8-123.1 152.0 58.6 42.6 102.2 36 36 A L B -K 100 0C 0 123,-2.9 122,-3.3 -2,-0.3 64,-0.2 -0.627 32.6-142.2 -84.7 122.2 59.2 45.3 99.6 37 37 A G - 0 0 2 62,-3.1 62,-0.2 -2,-0.5 64,-0.1 -0.129 18.9-117.5 -69.4 171.8 57.2 45.1 96.4 38 38 A D S S+ 0 0 41 119,-0.1 23,-2.5 60,-0.1 2,-0.4 0.545 85.5 89.6 -95.9 -5.0 58.6 46.0 92.9 39 39 A E E +G 60 0B 44 21,-0.2 2,-0.3 60,-0.1 60,-0.2 -0.808 50.3 172.5-101.4 132.2 56.3 49.0 92.3 40 40 A F E -G 59 0B 0 19,-2.7 19,-2.5 -2,-0.4 2,-0.4 -0.902 17.8-148.3-131.8 155.2 57.1 52.5 93.3 41 41 A I E -GH 58 97B 0 56,-2.1 56,-2.9 -2,-0.3 2,-0.4 -0.991 8.4-172.4-123.5 134.8 55.6 56.0 92.7 42 42 A I E -G 57 0B 38 15,-2.4 15,-3.1 -2,-0.4 2,-0.1 -0.994 22.8-128.0-123.4 139.0 57.3 59.4 92.5 43 43 A Y E -G 56 0B 46 -2,-0.4 13,-0.3 52,-0.3 5,-0.0 -0.416 12.3-161.6 -84.7 158.9 55.5 62.6 92.3 44 44 A D + 0 0 89 11,-2.8 12,-0.2 -2,-0.1 2,-0.2 0.399 48.5 102.5-122.1 -2.1 56.0 65.2 89.7 45 45 A D - 0 0 67 10,-0.6 3,-0.1 1,-0.1 -2,-0.1 -0.529 69.9-123.4 -94.4 159.0 54.6 68.6 90.9 46 46 A E S S+ 0 0 194 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.875 96.4 7.3 -59.7 -43.9 56.4 71.7 92.2 47 47 A V S S- 0 0 94 2,-0.0 2,-1.0 -3,-0.0 -1,-0.1 -0.955 78.1-112.6-134.3 155.4 54.4 71.7 95.4 48 48 A Y - 0 0 136 -2,-0.3 2,-0.8 -3,-0.1 6,-0.0 -0.835 31.2-174.0 -87.5 103.3 51.9 69.3 97.0 49 49 A D > - 0 0 70 -2,-1.0 3,-2.1 1,-0.1 148,-0.1 -0.879 10.1-160.0 -99.0 104.3 48.6 71.3 96.9 50 50 A L T 3 S+ 0 0 88 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.605 84.8 67.3 -70.9 -12.7 46.4 68.9 98.8 51 51 A S T 3 S+ 0 0 87 147,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.570 101.1 64.5 -77.4 -10.5 43.2 70.5 97.4 52 52 A K S < S- 0 0 132 -3,-2.1 2,-0.4 146,-0.0 145,-0.3 -0.713 90.7-100.9-117.6 166.0 44.3 69.1 94.0 53 53 A E - 0 0 148 -2,-0.2 2,-0.3 144,-0.1 142,-0.1 -0.663 46.7-125.1 -82.4 136.0 44.8 65.8 92.3 54 54 A L - 0 0 17 140,-0.4 2,-0.4 -2,-0.4 -6,-0.1 -0.602 7.1-136.1-100.3 142.1 48.5 65.0 92.1 55 55 A N + 0 0 96 -2,-0.3 -11,-2.8 2,-0.0 -10,-0.6 -0.747 37.2 155.5 -89.1 136.6 50.8 64.2 89.1 56 56 A Y E -G 43 0B 89 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.957 35.0-126.3-155.0 169.7 53.2 61.3 89.5 57 57 A K E -G 42 0B 115 -15,-3.1 -15,-2.4 -2,-0.3 2,-0.4 -0.923 19.1-142.3-121.5 146.0 55.2 58.6 87.7 58 58 A R E -G 41 0B 109 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.932 17.3-175.1-111.0 135.9 55.2 54.8 88.3 59 59 A I E -G 40 0B 21 -19,-2.5 -19,-2.7 -2,-0.4 2,-0.5 -0.962 14.1-156.5-125.8 149.7 58.2 52.6 88.1 60 60 A K E -G 39 0B 112 -2,-0.3 -21,-0.2 -21,-0.2 2,-0.2 -0.980 17.3-149.1-120.5 116.0 58.7 48.8 88.4 61 61 A I - 0 0 3 -23,-2.5 4,-0.1 -2,-0.5 27,-0.0 -0.508 10.7-155.8 -78.1 154.0 62.2 47.6 89.5 62 62 A K S S- 0 0 154 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.821 85.6 -24.2 -90.2 -44.3 63.8 44.3 88.4 63 63 A N S S+ 0 0 99 1,-0.4 94,-2.7 92,-0.1 2,-0.3 0.606 117.2 5.9-133.5 -42.7 66.1 44.0 91.4 64 64 A S E -L 156 0D 6 92,-0.3 25,-1.6 23,-0.1 26,-0.5 -0.967 40.8-156.8-153.9 162.3 67.1 47.2 93.1 65 65 A I E -Lm 155 90D 0 90,-2.1 90,-2.3 -2,-0.3 2,-0.6 -0.989 18.5-136.3-142.8 139.0 66.7 50.9 93.6 66 66 A L E -Lm 154 91D 7 24,-2.6 26,-2.3 -2,-0.3 2,-0.6 -0.923 16.9-161.0 -99.0 121.2 69.0 53.5 95.0 67 67 A V E -Lm 153 92D 0 86,-2.6 86,-2.2 -2,-0.6 26,-0.2 -0.914 10.0-166.9-104.5 109.1 67.3 56.0 97.4 68 68 A C E - m 0 93D 0 24,-2.9 26,-1.9 -2,-0.6 80,-0.3 -0.687 27.1-103.2 -94.2 145.7 69.3 59.2 97.9 69 69 A P > - 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.290 51.0 -88.1 -58.1 150.9 68.6 61.9 100.5 70 70 A L T 3 S+ 0 0 111 78,-0.4 77,-0.0 1,-0.2 22,-0.0 -0.334 115.1 28.0 -60.7 144.7 66.9 65.0 99.3 71 71 A N T 3 S+ 0 0 123 -3,-0.1 -1,-0.2 1,-0.1 22,-0.0 0.622 74.5 125.7 71.0 15.7 69.3 67.7 98.0 72 72 A Y S < S- 0 0 90 -3,-1.4 -2,-0.1 -4,-0.1 -1,-0.1 0.742 71.8-135.7 -58.7 -29.3 71.9 65.1 97.0 73 73 A N - 0 0 113 -4,-0.2 2,-0.5 1,-0.2 5,-0.1 1.000 19.5-152.0 65.6 73.8 71.5 67.0 93.7 74 74 A L - 0 0 31 4,-0.1 2,-0.2 3,-0.1 -1,-0.2 -0.625 12.6-169.7 -83.7 120.9 71.3 64.3 91.2 75 75 A T > - 0 0 77 -2,-0.5 4,-2.4 1,-0.1 5,-0.1 -0.619 40.1-107.7 -94.9 165.2 72.5 65.1 87.8 76 76 A E H > S+ 0 0 160 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.882 123.9 54.5 -55.5 -40.2 72.0 62.8 84.9 77 77 A E H > S+ 0 0 159 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 107.1 47.7 -60.1 -46.4 75.7 62.1 85.1 78 78 A K H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 111.0 52.9 -62.1 -42.5 75.5 61.1 88.8 79 79 A I H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.969 110.7 45.5 -57.1 -52.8 72.6 58.9 88.1 80 80 A N H X S+ 0 0 87 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 111.2 54.9 -60.0 -39.8 74.4 57.0 85.4 81 81 A Y H X S+ 0 0 89 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.935 110.5 44.6 -57.4 -48.3 77.5 56.8 87.7 82 82 A F H X S+ 0 0 9 -4,-2.7 4,-2.7 2,-0.2 6,-0.5 0.886 112.2 51.3 -67.3 -43.2 75.4 55.1 90.4 83 83 A K H X S+ 0 0 83 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.915 115.3 42.6 -56.0 -45.4 73.7 52.7 88.0 84 84 A E H < S+ 0 0 172 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.959 119.8 42.2 -66.5 -48.5 77.0 51.7 86.6 85 85 A K H < S+ 0 0 119 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.900 130.7 23.4 -66.9 -42.3 78.9 51.4 89.9 86 86 A Y H < S- 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.412 94.8-128.8-111.6 -3.8 76.1 49.7 91.9 87 87 A N < + 0 0 139 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.2 0.869 51.2 156.5 59.9 38.4 74.0 48.1 89.2 88 88 A V - 0 0 7 -6,-0.5 -1,-0.2 -5,-0.1 -23,-0.2 -0.688 44.5-138.5 -91.9 156.6 70.7 49.5 90.4 89 89 A D S S+ 0 0 26 -25,-1.6 2,-0.3 -2,-0.3 -24,-0.2 0.783 82.5 16.2 -83.2 -37.8 67.7 50.0 88.1 90 90 A Y E -m 65 0D 89 -26,-0.5 -24,-2.6 -31,-0.0 2,-0.4 -0.974 58.5-155.8-137.3 150.9 66.6 53.4 89.3 91 91 A V E +m 66 0D 14 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -1.000 22.0 175.5-125.2 128.0 68.1 56.3 91.3 92 92 A V E -m 67 0D 18 -26,-2.3 -24,-2.9 -2,-0.4 2,-0.3 -0.899 19.9-144.0-133.3 161.6 65.7 58.6 93.1 93 93 A E E -m 68 0D 60 -2,-0.3 -23,-0.2 -26,-0.2 2,-0.1 -0.958 64.9 -10.6-129.5 135.3 66.2 61.6 95.5 94 94 A G S S+ 0 0 4 -26,-1.9 54,-0.3 -2,-0.3 2,-0.3 -0.441 113.6 14.2 74.9-140.2 63.9 62.5 98.4 95 95 A G + 0 0 45 -2,-0.1 2,-0.4 52,-0.1 -52,-0.3 -0.489 56.1 174.0 -80.5 133.3 60.6 60.7 98.7 96 96 A V E - I 0 146B 2 50,-1.9 50,-2.8 -2,-0.3 2,-0.4 -0.999 24.4-136.0-129.6 135.0 59.5 57.5 96.9 97 97 A L E +HI 41 145B 21 -56,-2.9 -56,-2.1 -2,-0.4 48,-0.2 -0.715 29.9 171.7 -86.7 135.9 56.3 55.6 97.6 98 98 A G E - I 0 144B 0 46,-2.7 46,-1.9 -2,-0.4 2,-0.3 -0.607 18.7-135.7-125.9-173.0 56.6 51.8 97.7 99 99 A T E - I 0 143B 3 44,-0.3 -62,-3.1 -60,-0.2 44,-0.2 -0.994 17.7-112.7-145.4 149.6 54.3 48.9 98.7 100 100 A T E -K 36 0C 1 42,-2.1 -64,-0.2 -2,-0.3 -62,-0.1 -0.492 21.2-134.3 -68.7 152.8 54.4 45.6 100.7 101 101 A N E S+ 0 0 38 -66,-1.8 2,-0.2 -2,-0.1 -1,-0.1 0.843 85.4 90.6 -67.5 -36.4 54.1 42.4 98.7 102 102 A E E - 0 0 4 -67,-0.3 40,-0.6 -83,-0.1 2,-0.4 -0.407 64.5-156.9 -71.0 127.2 51.6 41.3 101.4 103 103 A Y E -FI 20 141B 54 -83,-2.5 -83,-2.6 -2,-0.2 2,-0.3 -0.883 24.1-166.9 -95.3 130.6 47.9 42.0 101.0 104 104 A I E -FI 19 140B 0 36,-2.3 36,-2.9 -2,-0.4 2,-0.4 -0.905 21.2-161.7-126.1 152.7 46.2 42.0 104.4 105 105 A E E -FI 18 139B 63 -87,-1.8 -87,-1.6 -2,-0.3 34,-0.2 -0.995 11.8-161.4-130.1 128.0 42.7 41.9 105.9 106 106 A L - 0 0 8 32,-2.5 31,-0.2 -2,-0.4 -89,-0.1 -0.901 15.7-129.4-109.8 138.2 42.0 43.0 109.5 107 107 A P > - 0 0 23 0, 0.0 3,-1.8 0, 0.0 30,-0.7 -0.357 36.5 -99.1 -73.9 165.5 39.0 42.0 111.5 108 108 A N T 3 S+ 0 0 43 1,-0.3 65,-3.3 28,-0.2 28,-0.1 0.356 122.9 51.8 -66.5 3.9 37.0 44.8 113.3 109 109 A D T 3 S+ 0 0 22 63,-0.3 60,-2.3 1,-0.1 2,-0.4 0.291 98.4 73.5-125.9 7.3 38.8 43.8 116.5 110 110 A I E < -D 168 0A 0 -3,-1.8 27,-0.4 58,-0.2 2,-0.3 -0.985 52.9-179.4-125.1 139.3 42.4 44.0 115.4 111 111 A S E -D 167 0A 5 56,-2.6 56,-2.4 -2,-0.4 2,-0.3 -0.814 9.9-154.7-122.6 159.9 44.6 47.0 114.6 112 112 A A E -DE 166 134A 0 22,-2.1 22,-3.1 -2,-0.3 2,-0.5 -0.994 12.3-150.9-139.8 148.9 48.2 47.2 113.4 113 113 A Q E -DE 165 133A 52 52,-2.0 52,-2.2 -2,-0.3 2,-0.5 -0.992 18.6-146.0-109.2 126.2 51.1 49.6 113.4 114 114 A Y E +D 164 0A 1 18,-3.0 2,-0.3 -2,-0.5 50,-0.2 -0.807 28.1 172.0 -81.9 129.0 53.5 49.3 110.5 115 115 A Q E -D 163 0A 89 48,-2.2 48,-3.1 -2,-0.5 2,-0.1 -0.989 31.5-109.0-136.5 149.4 57.1 50.1 111.7 116 116 A G E -D 162 0A 22 -2,-0.3 46,-0.3 46,-0.3 2,-0.2 -0.376 38.4-100.2 -69.9 151.7 60.5 49.8 109.9 117 117 A R >> - 0 0 58 44,-2.0 4,-2.3 1,-0.1 3,-1.7 -0.560 27.4-124.1 -66.9 140.9 63.0 47.1 110.9 118 118 A S H 3> S+ 0 0 68 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.735 109.9 67.5 -58.0 -26.6 65.8 48.4 113.1 119 119 A S H 34 S+ 0 0 68 2,-0.2 -1,-0.3 1,-0.2 42,-0.0 0.817 108.7 37.1 -61.3 -33.0 68.3 47.2 110.5 120 120 A L H X4>S+ 0 0 12 -3,-1.7 5,-2.1 41,-0.2 3,-1.6 0.844 113.7 55.8 -84.1 -41.7 67.0 49.9 108.1 121 121 A G H ><5S+ 0 0 42 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.844 100.7 60.2 -56.6 -39.6 66.5 52.4 110.9 122 122 A R T 3<5S+ 0 0 178 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.542 105.8 47.1 -67.1 -14.0 70.2 51.9 111.8 123 123 A V T < 5S- 0 0 72 -3,-1.6 28,-0.4 2,-0.2 27,-0.3 0.125 121.7-108.2-107.8 16.9 71.1 53.1 108.2 124 124 A F T < 5S+ 0 0 110 -3,-1.6 25,-2.5 1,-0.2 2,-0.6 0.775 72.3 142.1 62.9 34.0 68.7 56.1 108.5 125 125 A L E < -N 148 0E 4 -5,-2.1 2,-0.3 23,-0.2 -1,-0.2 -0.935 31.1-166.1-106.4 120.4 66.2 54.7 106.1 126 126 A T E -N 147 0E 45 21,-2.5 21,-1.4 -2,-0.6 3,-0.1 -0.726 15.9-169.4-102.9 151.3 62.5 55.3 106.9 127 127 A S S S+ 0 0 3 -2,-0.3 18,-1.4 1,-0.2 2,-0.3 0.287 74.2 39.1-127.8 2.8 59.5 53.5 105.3 128 128 A H - 0 0 34 16,-0.2 2,-0.7 19,-0.1 -1,-0.2 -0.968 69.2-138.7-145.8 152.8 56.6 55.6 106.7 129 129 A Q S S- 0 0 75 -2,-0.3 3,-0.1 1,-0.1 17,-0.1 -0.851 80.2 -50.6-112.0 92.1 56.3 59.4 107.2 130 130 A T S S+ 0 0 152 -2,-0.7 -1,-0.1 1,-0.1 2,-0.1 0.909 125.9 84.0 26.9 64.0 54.5 59.7 110.6 131 131 A A + 0 0 59 -17,-0.1 -1,-0.1 14,-0.1 3,-0.1 -0.198 25.5 124.2-145.8-120.6 51.8 57.3 109.4 132 132 A G + 0 0 11 11,-0.2 -18,-3.0 1,-0.2 2,-0.5 0.398 40.3 134.6 62.2 -6.3 51.9 53.4 109.5 133 133 A W E -E 113 0A 131 -20,-0.2 2,-0.6 -22,-0.0 -20,-0.2 -0.668 39.6-161.2 -75.4 120.8 48.6 53.1 111.6 134 134 A I E -E 112 0A 12 -22,-3.1 -22,-2.1 -2,-0.5 2,-0.1 -0.934 16.0-132.1-108.1 115.9 46.4 50.4 109.9 135 135 A D > - 0 0 70 -2,-0.6 3,-2.0 -24,-0.2 -29,-0.2 -0.390 24.8 -95.8 -68.2 145.1 42.7 50.6 111.0 136 136 A A T 3 S+ 0 0 9 1,-0.2 41,-2.7 -28,-0.1 -28,-0.2 -0.440 115.8 30.0 -48.3 126.4 40.5 47.7 112.2 137 137 A G T 3 S+ 0 0 5 -30,-0.7 41,-1.6 -27,-0.4 -1,-0.2 0.357 87.4 148.9 97.0 -1.9 38.6 46.5 109.1 138 138 A F < - 0 0 12 -3,-2.0 -32,-2.5 -31,-0.2 2,-0.4 -0.397 25.2-172.0 -73.6 139.3 41.4 47.5 106.6 139 139 A K E +I 105 0B 50 -34,-0.2 48,-2.9 -2,-0.1 49,-0.7 -0.996 39.2 56.9-125.4 127.6 41.8 45.5 103.5 140 140 A G E S-Ij 104 188B 0 -36,-2.9 -36,-2.3 -2,-0.4 49,-0.2 -0.817 80.7 -60.0 155.3 177.1 44.8 46.0 101.1 141 141 A K E -I 103 0B 53 47,-3.6 2,-0.5 -38,-0.3 47,-0.2 -0.360 60.6-106.0 -71.1 167.1 48.5 46.1 100.6 142 142 A I E - 0 0 8 -40,-0.6 -42,-2.1 -2,-0.1 2,-0.5 -0.892 22.8-137.8-106.9 126.4 50.4 48.6 102.6 143 143 A T E -I 99 0B 41 -2,-0.5 2,-0.4 -44,-0.2 -44,-0.3 -0.704 19.2-153.7 -81.8 123.3 51.7 51.8 101.0 144 144 A L E -I 98 0B 0 -46,-1.9 -46,-2.7 -2,-0.5 2,-0.6 -0.811 8.0-154.1 -98.9 136.6 55.2 52.7 102.2 145 145 A A E -I 97 0B 25 -18,-1.4 2,-0.4 -2,-0.4 -48,-0.2 -0.926 23.5-162.3-108.9 104.4 56.6 56.3 102.2 146 146 A I E +I 96 0B 1 -50,-2.8 -50,-1.9 -2,-0.6 2,-0.4 -0.762 18.6 164.3-105.0 125.7 60.4 55.9 101.9 147 147 A V E -N 126 0E 22 -21,-1.4 -21,-2.5 -2,-0.4 2,-0.4 -0.998 25.6-145.1-137.9 131.3 63.1 58.6 102.7 148 148 A A E -N 125 0E 2 -2,-0.4 -78,-0.4 -80,-0.3 -23,-0.2 -0.838 14.5-176.1 -89.9 133.8 66.9 58.2 103.2 149 149 A F S S+ 0 0 124 -25,-2.5 -24,-0.1 -2,-0.4 -25,-0.1 0.441 73.5 21.9-116.1 -2.0 68.2 60.7 105.9 150 150 A D S S- 0 0 91 1,-0.5 -26,-0.1 -27,-0.3 -2,-0.1 0.609 122.7 -14.0-126.1 -63.4 72.0 60.1 105.9 151 151 A K S S- 0 0 132 -28,-0.4 -1,-0.5 -84,-0.1 -2,-0.1 -0.934 84.7 -70.5-141.2 163.0 73.4 58.5 102.6 152 152 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -84,-0.2 -0.271 49.2-151.9 -58.5 144.7 71.9 56.8 99.7 153 153 A V E -L 67 0D 18 -86,-2.2 -86,-2.6 -29,-0.1 2,-0.6 -0.972 8.9-139.2-123.2 132.8 70.5 53.3 100.4 154 154 A I E -L 66 0D 44 -2,-0.4 2,-0.4 -88,-0.2 -88,-0.2 -0.825 21.8-171.1 -88.3 120.3 70.2 50.3 98.1 155 155 A L E -L 65 0D 1 -90,-2.3 -90,-2.1 -2,-0.6 2,-0.4 -0.936 10.0-146.0-109.8 137.7 66.9 48.5 98.6 156 156 A Y E > -L 64 0D 125 -2,-0.4 3,-1.8 -92,-0.2 -120,-0.3 -0.809 25.6 -98.9-106.9 138.5 66.3 45.1 96.9 157 157 A K T 3 S+ 0 0 69 -94,-2.7 -120,-0.2 -2,-0.4 -119,-0.1 -0.263 107.6 12.2 -46.1 133.8 63.0 43.7 95.6 158 158 A N T 3 S+ 0 0 89 -122,-3.3 -1,-0.2 1,-0.2 -121,-0.1 0.460 91.5 141.7 72.3 2.6 61.4 41.3 98.1 159 159 A Q < - 0 0 46 -3,-1.8 -123,-2.9 -123,-0.2 2,-0.6 -0.375 64.3-100.2 -69.9 156.5 63.6 42.2 101.0 160 160 A R E +C 35 0A 93 -125,-0.2 -125,-0.2 1,-0.2 -1,-0.1 -0.740 49.9 165.3 -80.4 119.2 62.2 42.5 104.5 161 161 A I E - 0 0 0 -127,-1.5 -44,-2.0 -2,-0.6 2,-0.2 0.728 55.7 -20.0-113.3 -35.4 61.7 46.2 105.0 162 162 A G E -CD 34 116A 0 -128,-0.9 -128,-2.4 -46,-0.3 2,-0.3 -0.833 58.9-108.1-160.6-161.0 59.4 46.4 108.1 163 163 A Q E -CD 33 115A 49 -48,-3.1 -48,-2.2 -130,-0.3 2,-0.4 -0.989 14.2-130.0-149.7 140.5 57.0 44.7 110.4 164 164 A L E -CD 32 114A 0 -132,-2.8 -132,-2.2 -2,-0.3 2,-0.6 -0.870 18.2-163.5 -91.9 129.5 53.3 44.7 111.4 165 165 A I E - D 0 113A 47 -52,-2.2 -52,-2.0 -2,-0.4 2,-0.2 -0.973 15.6-155.6-115.2 105.5 52.6 44.9 115.1 166 166 A F E - D 0 112A 0 -2,-0.6 -163,-1.6 -136,-0.3 2,-0.4 -0.588 11.0-171.5 -91.2 151.5 49.0 43.8 115.7 167 167 A S E -AD 2 111A 25 -56,-2.4 -56,-2.6 -165,-0.2 2,-0.3 -0.999 21.3-117.6-144.0 144.3 47.0 44.9 118.7 168 168 A K E - D 0 110A 77 -167,-2.5 2,-0.3 -2,-0.4 -58,-0.2 -0.640 25.7-130.0 -79.2 135.7 43.5 43.9 120.1 169 169 A L - 0 0 48 -60,-2.3 -1,-0.0 -2,-0.3 -60,-0.0 -0.601 12.2-130.6 -78.0 147.9 40.8 46.4 120.4 170 170 A L S S+ 0 0 180 -2,-0.3 -1,-0.1 1,-0.2 -61,-0.0 0.916 98.6 2.5 -58.8 -50.8 38.9 46.8 123.7 171 171 A S S S- 0 0 81 -63,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.931 96.2-100.0-130.8 155.2 35.6 46.5 121.8 172 172 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -63,-0.3 -0.339 44.4 -94.7 -76.9 164.5 35.4 45.9 118.1 173 173 A A - 0 0 30 -65,-3.3 3,-0.3 1,-0.1 -65,-0.1 -0.611 21.8-137.5 -75.4 137.1 34.8 48.8 115.7 174 174 A D S S+ 0 0 156 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.912 98.7 18.3 -53.5 -46.8 31.1 49.3 114.6 175 175 A V S S- 0 0 58 -67,-0.1 -1,-0.3 -39,-0.0 -39,-0.1 -0.955 85.1-144.9-132.3 111.1 32.2 49.9 111.1 176 176 A G >> - 0 0 0 -2,-0.5 3,-1.0 -3,-0.3 4,-0.6 -0.268 34.9 -94.9 -64.2 162.0 35.7 48.7 110.1 177 177 A Y G >4 S+ 0 0 35 -41,-2.7 3,-1.3 1,-0.2 6,-0.3 0.856 122.7 48.0 -46.8 -50.3 37.8 50.6 107.5 178 178 A S G 34 S+ 0 0 15 -41,-1.6 -1,-0.2 1,-0.3 -40,-0.1 0.705 105.6 58.9 -73.4 -22.3 36.8 48.7 104.4 179 179 A E G <4 S+ 0 0 106 -3,-1.0 2,-0.3 -42,-0.1 -1,-0.3 0.487 87.9 98.6 -76.4 -11.2 33.0 48.9 105.3 180 180 A R << - 0 0 131 -3,-1.3 3,-0.5 -4,-0.6 -4,-0.0 -0.663 63.8-151.8 -87.7 139.5 33.2 52.8 105.3 181 181 A K S S+ 0 0 224 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.816 97.9 59.1 -71.1 -36.3 32.0 54.8 102.2 182 182 A T S S+ 0 0 113 2,-0.0 -1,-0.2 -5,-0.0 2,-0.0 0.669 78.5 118.0 -64.9 -21.7 34.5 57.6 103.2 183 183 A S - 0 0 26 -3,-0.5 3,-0.1 -6,-0.3 -5,-0.0 -0.265 41.9-172.7 -63.8 128.4 37.6 55.2 103.0 184 184 A K S S+ 0 0 66 1,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.804 76.8 39.4 -87.8 -33.7 40.1 56.2 100.3 185 185 A Y S > S+ 0 0 62 3,-0.1 3,-0.6 -8,-0.0 -1,-0.1 0.149 73.4 134.4-117.8 14.7 42.6 53.3 100.4 186 186 A A T 3 S+ 0 0 31 1,-0.2 -46,-0.2 -9,-0.1 -48,-0.1 -0.427 73.5 19.9 -68.1 139.8 40.5 50.0 100.8 187 187 A Y T 3 S- 0 0 118 -48,-2.9 2,-0.6 1,-0.2 -47,-0.3 0.851 82.5-174.4 68.4 41.8 41.4 47.0 98.5 188 188 A Q B < +j 140 0B 17 -49,-0.7 -47,-3.6 -3,-0.6 -1,-0.2 -0.558 13.7 177.3 -78.9 110.6 44.9 48.5 97.8 189 189 A K - 0 0 170 -2,-0.6 2,-0.2 -49,-0.2 -1,-0.2 0.561 64.4 -5.1 -97.7 -13.5 46.5 46.2 95.2 190 190 A S S S- 0 0 25 -49,-0.1 2,-0.2 -92,-0.1 -49,-0.1 -0.839 104.5 -38.4-154.5-169.2 49.7 48.2 94.8 191 191 A V - 0 0 0 -2,-0.2 -92,-0.1 -92,-0.1 -2,-0.1 -0.474 61.5-162.2 -63.0 130.9 51.5 51.4 95.8 192 192 A M - 0 0 55 -94,-0.3 3,-0.1 -2,-0.2 -94,-0.1 -0.984 9.7-133.6-129.6 129.5 48.9 54.2 96.0 193 193 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -50,-0.0 -0.121 45.7 -70.3 -71.8 173.6 49.4 58.0 95.9 194 194 A S - 0 0 38 1,-0.1 -140,-0.4 2,-0.0 3,-0.2 -0.438 37.4-173.5 -63.9 129.8 47.7 60.5 98.3 195 195 A L > + 0 0 42 -2,-0.2 3,-2.4 1,-0.1 -1,-0.1 0.048 43.1 127.4-109.8 24.3 44.0 60.9 97.6 196 196 A I G > + 0 0 54 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.710 57.3 76.8 -55.5 -25.9 43.6 63.8 100.2 197 197 A H G 3 S+ 0 0 53 -145,-0.3 -1,-0.3 1,-0.3 -144,-0.1 0.609 86.0 67.3 -57.3 -10.9 42.0 66.0 97.5 198 198 A L G < 0 0 103 -3,-2.4 -1,-0.3 -146,-0.1 -2,-0.2 0.362 360.0 360.0 -90.2 2.1 38.9 63.8 98.2 199 199 A D < 0 0 146 -3,-2.0 -3,-0.0 -4,-0.1 -17,-0.0 -0.342 360.0 360.0 -61.0 360.0 38.4 65.1 101.8