==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-JUN-12 4FLT . COMPND 2 MOLECULE: DNA POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR J.GOUGE,M.DELARUE . 757 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 49 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 2 1 1 3 1 3 1 1 0 0 2 2 0 2 0 0 1 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 2 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 . 2 0 2 7 2 2 2 0 2 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 . 2 3 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 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 A 0 0 121 0, 0.0 23,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.4 0.8 -53.6 -32.0 2 0 A G - 0 0 20 1,-0.1 2,-0.4 22,-0.1 22,-0.2 0.116 360.0 -92.7 -66.1 173.0 0.5 -49.7 -31.4 3 1 A M E -A 23 0A 10 20,-2.4 20,-2.1 128,-0.1 2,-0.5 -0.776 37.0-130.5 -87.4 126.9 3.0 -46.8 -30.8 4 2 A I E +A 22 0A 12 125,-0.5 127,-2.9 -2,-0.4 18,-0.2 -0.722 31.3 170.4 -82.6 123.3 3.7 -46.1 -27.1 5 3 A I E - 0 0 1 16,-2.4 339,-0.4 -2,-0.5 338,-0.4 0.643 63.3 -13.0-105.2 -23.3 3.3 -42.4 -26.4 6 4 A D E -A 21 0A 18 15,-1.3 15,-2.8 336,-0.1 -1,-0.4 -0.982 50.7-153.4-169.2 166.4 3.6 -42.6 -22.5 7 5 A A E +A 20 0A 8 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.980 22.1 148.8-148.5 146.4 3.6 -44.7 -19.4 8 6 A D E -A 19 0A 19 11,-1.9 11,-2.8 -2,-0.3 2,-0.3 -0.862 33.5-113.3-154.6-171.9 2.8 -44.1 -15.7 9 7 A Y E -A 18 0A 68 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.985 15.6-166.2-138.4 150.3 1.4 -46.0 -12.7 10 8 A I E -A 17 0A 50 7,-2.2 7,-3.1 -2,-0.3 2,-0.5 -0.784 23.9-123.5-121.2 161.6 -1.8 -45.8 -10.6 11 9 A T E -A 16 0A 72 -2,-0.3 2,-0.4 5,-0.2 80,-0.0 -0.958 27.1-179.6-113.0 131.4 -2.3 -47.4 -7.2 12 10 A E E > S-A 15 0A 94 3,-3.1 3,-1.3 -2,-0.5 -2,-0.0 -0.963 75.0 -10.9-138.3 115.9 -5.3 -49.8 -6.8 13 11 A D T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.870 130.4 -57.7 60.1 39.0 -6.0 -51.5 -3.4 14 12 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.408 118.2 109.3 75.2 2.8 -2.6 -50.2 -2.3 15 13 A K E < S-A 12 0A 105 -3,-1.3 -3,-3.1 76,-0.1 -1,-0.2 -0.868 71.3-111.1-112.0 144.0 -0.8 -52.0 -5.2 16 14 A P E -A 11 0A 8 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.449 25.9-168.1 -76.6 140.5 0.9 -50.4 -8.2 17 15 A I E -A 10 0A 6 -7,-3.1 -7,-2.2 -2,-0.2 2,-0.3 -0.993 16.1-138.9-124.5 123.2 -0.6 -50.8 -11.8 18 16 A I E -AB 9 33A 1 15,-3.1 15,-2.3 -2,-0.4 2,-0.4 -0.609 14.0-157.5 -79.9 139.9 1.4 -49.8 -14.7 19 17 A R E -AB 8 32A 12 -11,-2.8 -11,-1.9 -2,-0.3 2,-0.6 -0.990 2.6-162.7-118.5 126.5 -0.5 -48.0 -17.6 20 18 A I E -AB 7 31A 3 11,-2.3 11,-2.1 -2,-0.4 2,-0.5 -0.958 11.7-149.9-111.3 113.4 1.0 -48.0 -21.1 21 19 A F E +AB 6 30A 3 -15,-2.8 -16,-2.4 -2,-0.6 -15,-1.3 -0.770 25.1 176.8 -89.9 123.4 -0.6 -45.3 -23.3 22 20 A K E -AB 4 29A 23 7,-3.1 7,-2.6 -2,-0.5 2,-0.5 -0.920 32.1-146.8-130.4 155.9 -0.8 -46.3 -27.0 23 21 A K E -AB 3 28A 12 -20,-2.1 -20,-2.4 -2,-0.3 2,-0.5 -0.989 22.1-179.4-119.9 114.5 -2.0 -45.2 -30.4 24 22 A E E > S- B 0 27A 46 3,-3.0 3,-2.0 -2,-0.5 -22,-0.1 -0.954 71.2 -32.0-122.8 107.9 -3.1 -48.1 -32.6 25 23 A K T 3 S- 0 0 195 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.905 128.0 -43.2 47.5 51.5 -4.3 -47.2 -36.2 26 24 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 110,-0.1 -1,-0.3 0.317 116.4 116.0 82.4 -5.8 -5.8 -43.9 -34.9 27 25 A E E < -B 24 0A 122 -3,-2.0 -3,-3.0 1,-0.0 2,-0.3 -0.823 63.9-128.6-102.7 136.7 -7.3 -45.4 -31.7 28 26 A F E -B 23 0A 56 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.612 33.7-179.7 -77.0 130.3 -6.3 -44.6 -28.1 29 27 A K E -B 22 0A 72 -7,-2.6 -7,-3.1 -2,-0.3 2,-0.4 -0.991 17.7-158.3-136.9 141.3 -5.5 -47.7 -26.1 30 28 A V E -B 21 0A 40 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.992 6.9-163.7-118.1 127.6 -4.4 -48.4 -22.5 31 29 A E E -B 20 0A 85 -11,-2.1 -11,-2.3 -2,-0.4 2,-0.4 -0.896 11.0-149.1-108.2 140.3 -2.7 -51.6 -21.5 32 30 A Y E -B 19 0A 134 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.937 12.3-173.1-112.9 138.1 -2.6 -52.4 -17.8 33 31 A D E +B 18 0A 28 -15,-2.3 -15,-3.1 -2,-0.4 3,-0.2 -0.954 14.0 168.5-132.1 114.3 0.2 -54.4 -16.0 34 32 A R + 0 0 154 -2,-0.4 -1,-0.1 -17,-0.2 -2,-0.0 0.419 70.0 71.8 -94.3 -7.6 -0.3 -55.4 -12.3 35 33 A T + 0 0 100 -17,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.630 64.4 104.9 -90.3 -20.6 2.8 -57.8 -12.3 36 34 A F - 0 0 28 -3,-0.2 86,-0.1 -20,-0.1 -18,-0.0 -0.521 56.9-154.6 -72.4 125.6 5.8 -55.5 -12.4 37 35 A R - 0 0 96 -2,-0.3 53,-0.1 54,-0.1 54,-0.1 -0.866 12.0-122.5-107.2 136.1 7.6 -55.2 -9.0 38 36 A P + 0 0 5 0, 0.0 51,-2.2 0, 0.0 2,-0.3 -0.283 40.5 166.6 -64.3 149.9 9.7 -52.4 -7.6 39 37 A Y E -C 88 0B 10 49,-0.2 2,-0.3 74,-0.2 49,-0.2 -0.984 25.7-165.0-161.3 164.2 13.3 -53.3 -6.5 40 38 A I E -C 87 0B 0 47,-1.5 47,-3.2 -2,-0.3 2,-0.3 -0.850 26.4-120.1-140.8 168.4 16.8 -52.1 -5.5 41 39 A Y E -CD 86 112B 4 71,-2.0 71,-2.1 -2,-0.3 2,-0.4 -0.902 17.7-161.8-115.6 147.9 20.1 -54.0 -5.2 42 40 A A E -CD 85 111B 0 43,-2.2 43,-2.5 -2,-0.3 2,-0.6 -0.995 10.0-149.8-131.6 123.9 22.3 -54.5 -2.1 43 41 A L E - D 0 110B 35 67,-2.8 66,-2.7 -2,-0.4 67,-1.0 -0.841 25.1-160.1 -87.2 118.7 26.0 -55.5 -2.2 44 42 A L E - D 0 108B 17 -2,-0.6 64,-0.2 39,-0.4 3,-0.1 -0.773 27.0-130.9-103.8 153.1 26.6 -57.4 1.0 45 43 A K S S+ 0 0 158 62,-2.5 2,-0.3 -2,-0.3 63,-0.1 0.828 95.8 2.7 -64.3 -33.6 29.9 -58.1 2.8 46 44 A D S > S- 0 0 99 61,-0.3 3,-1.1 1,-0.1 4,-0.2 -0.979 70.2-117.8-154.7 151.7 28.9 -61.8 2.9 47 45 A D G > S+ 0 0 67 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 0.811 110.0 66.7 -61.8 -33.7 26.0 -64.1 1.8 48 46 A S G > S+ 0 0 81 1,-0.3 3,-1.1 2,-0.1 4,-0.3 0.757 88.2 70.5 -57.4 -29.8 25.1 -65.0 5.4 49 47 A A G X> S+ 0 0 9 -3,-1.1 4,-2.1 1,-0.2 3,-1.3 0.696 75.7 80.0 -60.5 -28.2 24.1 -61.2 5.9 50 48 A I H <> S+ 0 0 13 -3,-1.6 4,-3.2 1,-0.3 -1,-0.2 0.820 84.7 62.5 -53.6 -32.7 20.9 -61.6 3.7 51 49 A D H <4 S+ 0 0 86 -3,-1.1 -1,-0.3 -4,-0.3 4,-0.2 0.841 111.1 36.3 -64.8 -33.7 19.1 -63.2 6.7 52 50 A E H <4 S+ 0 0 127 -3,-1.3 3,-0.5 -4,-0.3 -1,-0.2 0.853 119.4 50.0 -81.2 -40.3 19.5 -59.9 8.7 53 51 A V H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.891 103.6 56.2 -67.9 -45.6 19.0 -57.6 5.7 54 52 A K T 3< S+ 0 0 92 -4,-3.2 13,-0.5 1,-0.3 -1,-0.2 0.660 103.7 59.2 -62.5 -16.8 15.7 -59.3 4.4 55 53 A K T 3 S+ 0 0 154 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.414 77.7 117.2 -94.5 0.5 14.3 -58.6 7.9 56 54 A I < - 0 0 23 -3,-1.9 11,-0.7 -4,-0.1 2,-0.3 -0.427 44.6-175.2 -67.9 139.6 14.7 -54.7 7.6 57 55 A T E -G 66 0C 53 9,-0.2 2,-0.2 -2,-0.1 9,-0.2 -0.871 13.6-176.5-132.4 166.9 11.4 -52.8 7.7 58 56 A A E -G 65 0C 8 7,-1.8 7,-3.4 -2,-0.3 2,-0.3 -0.792 25.7-106.8-146.7-177.8 10.1 -49.1 7.4 59 57 A E E +G 64 0C 77 5,-0.3 2,-0.2 38,-0.3 5,-0.2 -0.950 36.0 154.8-125.6 147.5 6.8 -47.2 7.7 60 58 A R E > +G 63 0C 72 3,-2.5 3,-2.0 -2,-0.3 -2,-0.1 -0.856 67.6 2.3-167.5 135.8 4.5 -45.6 5.0 61 59 A H T 3 S- 0 0 181 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.841 127.0 -60.8 53.3 38.2 0.7 -44.8 4.8 62 60 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.302 120.6 99.0 75.0 -7.5 0.3 -46.0 8.4 63 61 A K E < S-G 60 0C 58 -3,-2.0 -3,-2.5 1,-0.0 2,-0.2 -0.721 78.9-107.2-107.9 158.1 1.4 -49.5 7.5 64 62 A I E -G 59 0C 93 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.619 29.9-135.1 -85.8 145.5 4.9 -51.1 7.9 65 63 A V E -G 58 0C 6 -7,-3.4 -7,-1.8 -2,-0.2 2,-0.3 -0.901 25.8-178.1-104.6 129.0 7.0 -51.7 4.8 66 64 A R E -G 57 0C 159 -2,-0.4 2,-0.5 -9,-0.2 24,-0.4 -0.878 37.6-105.5-123.1 159.3 8.8 -55.0 4.3 67 65 A I - 0 0 16 -11,-0.7 22,-0.2 -13,-0.5 3,-0.1 -0.731 34.2-161.9 -79.3 119.1 11.2 -56.5 1.7 68 66 A T - 0 0 77 20,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.866 65.6 -3.5 -76.9 -39.0 8.7 -58.9 -0.1 69 67 A E E -E 88 0B 92 19,-0.6 19,-3.1 2,-0.0 2,-0.3 -0.970 59.4-151.2-151.7 152.7 11.3 -61.2 -1.8 70 68 A V E -E 87 0B 39 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.939 13.1-173.1-124.2 147.1 15.2 -61.3 -2.1 71 69 A E E -E 86 0B 76 15,-1.8 15,-3.1 -2,-0.3 2,-0.4 -0.950 22.4-132.9-145.9 123.3 17.1 -62.8 -5.1 72 70 A K E -E 85 0B 86 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.627 35.8-176.2 -76.2 122.3 20.9 -63.4 -5.5 73 71 A V E -E 84 0B 22 11,-3.1 11,-2.0 -2,-0.4 2,-0.5 -0.929 25.3-136.9-124.8 153.0 21.9 -62.1 -8.9 74 72 A Q E +E 83 0B 110 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.916 40.9 146.1-106.1 121.4 25.1 -62.1 -11.0 75 73 A K E -E 82 0B 18 7,-2.7 7,-2.7 -2,-0.5 2,-0.4 -0.738 44.7 -99.2-137.4-171.4 25.9 -58.8 -12.8 76 74 A K E -Ef 81 368B 73 291,-1.6 293,-3.2 5,-0.2 2,-0.4 -0.960 25.0-173.3-121.1 136.1 28.8 -56.6 -13.8 77 75 A F E > S-E 80 0B 41 3,-2.8 3,-0.7 -2,-0.4 293,-0.1 -0.994 78.7 -15.9-128.0 121.3 30.0 -53.5 -12.0 78 76 A L T 3 S- 0 0 69 -2,-0.4 -1,-0.1 291,-0.4 292,-0.0 0.896 130.5 -51.3 50.7 49.0 32.8 -51.4 -13.6 79 77 A G T 3 S+ 0 0 23 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.792 119.6 107.2 60.3 35.0 33.5 -54.3 -16.1 80 78 A R E < S- E 0 77B 116 -3,-0.7 -3,-2.8 2,-0.0 -1,-0.2 -0.997 76.5-106.5-141.0 135.5 33.9 -56.8 -13.2 81 79 A P E + E 0 76B 124 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.340 44.5 178.3 -64.7 141.5 31.5 -59.7 -12.2 82 80 A I E - E 0 75B 30 -7,-2.7 -7,-2.7 2,-0.0 2,-0.6 -0.985 25.6-138.2-143.6 149.8 29.7 -58.9 -9.0 83 81 A E E + E 0 74B 95 -2,-0.3 -39,-0.4 -9,-0.2 2,-0.3 -0.964 31.7 166.1-114.5 115.2 27.1 -60.7 -6.8 84 82 A V E - E 0 73B 0 -11,-2.0 -11,-3.1 -2,-0.6 2,-0.5 -0.819 34.9-115.7-122.9 167.7 24.3 -58.5 -5.4 85 83 A W E -CE 42 72B 31 -43,-2.5 -43,-2.2 -2,-0.3 2,-0.6 -0.923 19.5-142.6-107.1 124.1 20.9 -59.1 -3.8 86 84 A K E -CE 41 71B 28 -15,-3.1 -15,-1.8 -2,-0.5 2,-0.6 -0.791 18.2-158.9 -82.9 118.1 17.8 -57.9 -5.7 87 85 A L E -CE 40 70B 0 -47,-3.2 -47,-1.5 -2,-0.6 2,-0.3 -0.934 5.0-152.3-107.0 115.9 15.4 -56.7 -3.0 88 86 A Y E -CE 39 69B 14 -19,-3.1 -20,-2.1 -2,-0.6 -19,-0.6 -0.635 10.6-170.3 -88.6 144.2 11.7 -56.6 -4.0 89 87 A L - 0 0 1 -51,-2.2 -22,-0.1 -2,-0.3 -24,-0.0 -0.870 25.8-129.4-129.7 156.3 9.2 -54.1 -2.5 90 88 A E S S+ 0 0 95 -24,-0.4 -1,-0.1 -2,-0.3 -23,-0.1 0.960 89.4 26.3 -74.0 -49.3 5.4 -54.0 -3.0 91 89 A H S >> S- 0 0 8 -76,-0.1 3,-2.6 -54,-0.1 4,-0.5 -0.894 74.2-125.0-115.9 143.9 4.9 -50.3 -3.9 92 90 A P T >4 S+ 0 0 15 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.831 112.4 61.3 -52.5 -34.9 7.4 -47.8 -5.6 93 91 A Q T 3> S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.611 90.1 70.5 -72.5 -5.9 6.9 -45.4 -2.7 94 92 A D H <> S+ 0 0 7 -3,-2.6 4,-2.1 2,-0.2 5,-0.3 0.834 86.9 67.9 -74.5 -32.2 8.4 -48.2 -0.4 95 93 A V H X S+ 0 0 0 -4,-2.1 4,-1.1 -3,-0.3 3,-1.0 0.708 98.0 87.9-106.6 -28.1 13.3 -48.2 3.2 99 97 A R H 3X S+ 0 0 78 -4,-2.7 4,-2.5 -5,-0.3 3,-0.5 0.805 91.5 48.1 -47.7 -44.2 16.5 -47.5 1.1 100 98 A E H 3> S+ 0 0 67 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.842 108.9 55.2 -67.4 -32.0 18.4 -45.5 3.8 101 99 A K H <4 S+ 0 0 92 -3,-1.0 4,-0.3 2,-0.2 -1,-0.2 0.703 111.9 43.7 -72.1 -21.0 17.6 -48.3 6.4 102 100 A I H >< S+ 0 0 0 -4,-1.1 3,-1.6 -3,-0.5 6,-0.2 0.925 113.0 50.7 -86.6 -46.9 19.2 -50.8 4.1 103 101 A R H 3< S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.826 106.4 56.6 -54.9 -38.1 22.2 -48.6 3.2 104 102 A E T 3< S+ 0 0 141 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 0.632 80.5 111.6 -70.4 -21.4 22.9 -48.0 7.0 105 103 A H S X S- 0 0 29 -3,-1.6 3,-1.9 -4,-0.3 -3,-0.0 -0.364 71.5-133.2 -60.8 132.7 23.2 -51.7 7.8 106 104 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.702 106.1 52.7 -60.2 -22.1 26.8 -52.8 8.8 107 105 A A T 3 S+ 0 0 17 -58,-0.1 -62,-2.5 -63,-0.1 2,-0.6 0.539 90.1 92.5 -89.1 -9.8 26.7 -55.8 6.4 108 106 A V E < -D 44 0B 13 -3,-1.9 -64,-0.2 -64,-0.2 3,-0.1 -0.812 51.3-173.5 -94.3 116.6 25.6 -53.6 3.4 109 107 A V E - 0 0 84 -66,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.924 69.4 -36.3 -70.8 -48.9 28.6 -52.4 1.3 110 108 A D E -D 43 0B 51 -67,-1.0 -67,-2.8 2,-0.0 -1,-0.3 -0.948 53.9-126.1-165.9 166.7 26.3 -50.2 -0.9 111 109 A I E -D 42 0B 0 -2,-0.3 2,-0.3 -69,-0.2 -69,-0.2 -0.812 26.5-159.7-118.8 155.5 22.8 -50.1 -2.5 112 110 A F E +D 41 0B 3 -71,-2.1 -71,-2.0 -2,-0.3 260,-0.0 -0.969 57.6 15.1-139.9 157.7 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73.2-118.0-124.0 165.0 18.6 -22.6 -30.8 271 269 A N + 0 0 57 -2,-0.3 3,-0.1 -3,-0.0 -3,-0.1 -0.902 42.3 150.7-105.2 119.4 20.5 -19.6 -29.4 272 270 A L - 0 0 32 -2,-0.5 3,-0.2 -5,-0.2 333,-0.1 -0.984 48.2-133.5-141.9 143.0 18.5 -16.4 -28.6 273 271 A P S S+ 0 0 62 0, 0.0 2,-0.4 0, 0.0 339,-0.2 0.904 101.7 18.5 -66.1 -33.5 19.2 -13.7 -26.0 274 272 A T - 0 0 62 2,-0.1 2,-0.9 -3,-0.1 339,-0.0 -0.998 69.6-148.6-138.9 128.7 15.4 -13.9 -25.1 275 273 A Y + 0 0 47 -2,-0.4 2,-0.2 -3,-0.2 -8,-0.1 -0.414 38.8 152.6 -96.1 58.9 13.0 -16.8 -25.9 276 274 A T > - 0 0 61 -2,-0.9 4,-2.7 1,-0.1 5,-0.2 -0.546 58.4-114.2 -77.3 157.3 9.8 -14.8 -26.3 277 275 A L H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.913 118.8 51.4 -58.5 -39.9 7.3 -16.4 -28.6 278 276 A E H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.870 112.3 44.7 -65.2 -40.5 7.7 -13.5 -31.1 279 277 A A H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 116.2 47.6 -71.0 -37.9 11.6 -13.8 -31.1 280 278 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 5,-0.2 0.934 110.5 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-0.537 16.8-144.7 -74.9 140.0 3.5 -8.4 -33.0 291 289 A K - 0 0 78 -2,-0.2 2,-0.6 -14,-0.0 22,-0.0 -0.906 6.1-161.3-101.3 131.0 3.6 -8.5 -29.2 292 290 A V - 0 0 0 -2,-0.4 5,-0.0 18,-0.1 -2,-0.0 -0.975 25.8-135.3-110.7 110.6 0.7 -6.9 -27.2 293 291 A Y > - 0 0 132 -2,-0.6 4,-1.9 1,-0.1 3,-0.5 -0.249 17.8-106.6 -72.5 159.4 2.0 -6.3 -23.7 294 292 A A H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 -146,-0.4 0.846 119.7 52.3 -52.1 -42.6 0.1 -7.1 -20.4 295 293 A H H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 109.3 49.2 -66.8 -35.5 -0.6 -3.4 -19.7 296 294 A E H > S+ 0 0 53 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.864 112.5 49.1 -67.7 -37.7 -2.1 -2.9 -23.2 297 295 A I H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.958 112.5 46.7 -65.3 -51.6 -4.3 -6.1 -22.7 298 296 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 -150,-0.2 5,-0.2 0.896 112.4 50.8 -57.6 -44.4 -5.5 -4.9 -19.2 299 297 A E H X S+ 0 0 50 -4,-2.4 4,-2.3 1,-0.2 6,-0.4 0.918 112.8 45.2 -62.0 -44.7 -6.3 -1.4 -20.6 300 298 A A H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.889 115.1 47.6 -67.7 -40.7 -8.3 -2.8 -23.6 301 299 A W H < S+ 0 0 6 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.957 116.5 41.4 -64.6 -51.5 -10.2 -5.2 -21.3 302 300 A E H < S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.831 124.3 36.4 -67.4 -39.3 -11.1 -2.7 -18.6 303 301 A T H < S- 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.726 99.8-133.0 -85.5 -25.7 -12.0 0.2 -20.9 304 302 A G < + 0 0 46 -4,-1.9 2,-0.4 -5,-0.3 3,-0.4 0.481 65.5 125.6 84.7 5.7 -13.6 -2.1 -23.6 305 303 A K + 0 0 64 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.863 68.7 7.4-105.2 131.1 -11.6 -0.2 -26.3 306 304 A G S > S+ 0 0 52 -2,-0.4 4,-0.8 -3,-0.1 3,-0.5 0.777 73.8 143.6 73.4 32.6 -9.3 -2.0 -28.8 307 305 A L H > + 0 0 15 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.685 63.2 68.8 -71.8 -22.3 -10.3 -5.6 -27.8 308 306 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 98.2 51.5 -65.0 -36.2 -10.1 -6.6 -31.5 309 307 A R H > S+ 0 0 90 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.880 110.9 47.1 -65.2 -42.3 -6.3 -6.1 -31.2 310 308 A V H X S+ 0 0 2 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 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2,-0.2 -1,-0.2 0.807 111.4 59.8 -74.6 -25.7 2.1 -19.8 -34.2 321 319 A T H X S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 108.6 45.7 -66.3 -40.0 2.2 -22.2 -31.2 322 320 A F H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 113.9 48.5 -62.9 -48.8 0.6 -24.9 -33.5 323 321 A E H X S+ 0 0 62 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.899 113.6 46.3 -59.3 -45.2 3.0 -24.1 -36.3 324 322 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.898 109.2 55.5 -67.0 -39.1 6.0 -24.2 -34.0 325 323 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 107.4 48.6 -58.7 -44.6 4.8 -27.5 -32.4 326 324 A K H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.4 49.4 -64.9 -34.0 4.7 -29.2 -35.8 327 325 A E H < S+ 0 0 97 -4,-1.3 4,-0.3 -5,-0.2 -2,-0.2 0.923 120.9 31.8 -69.7 -47.1 8.2 -27.9 -36.6 328 326 A F H X S+ 0 0 18 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.655 102.0 74.8 -92.1 -20.0 9.8 -29.1 -33.2 329 327 A F H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.865 85.9 60.9 -64.3 -42.4 7.9 -32.3 -32.4 330 328 A P H > S+ 0 0 33 0, 0.0 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349 A T H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.833 120.6 62.8 -70.2 -25.8 21.3 -33.8 -23.2 352 350 A G H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 106.1 43.1 -62.3 -40.5 23.2 -35.0 -20.1 353 351 A N H > S+ 0 0 39 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.822 109.8 56.8 -74.5 -31.9 19.9 -36.8 -18.9 354 352 A L H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.942 109.2 46.7 -63.6 -44.0 19.2 -38.0 -22.4 355 353 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.940 112.8 49.6 -59.0 -49.9 22.6 -39.8 -22.4 356 354 A E H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.864 110.2 49.9 -60.8 -37.7 22.0 -41.2 -18.8 357 355 A W H X S+ 0 0 25 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.862 111.9 48.2 -66.4 -38.3 18.6 -42.5 -19.9 358 356 A F H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.922 113.2 48.6 -66.0 -45.3 20.1 -44.2 -22.9 359 357 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.850 107.1 54.6 -66.5 -37.7 22.9 -45.6 -20.7 360 358 A L H X S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.875 110.9 46.1 -64.9 -36.8 20.5 -47.0 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