==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-04 1TDH . COMPND 2 MOLECULE: NEI ENDONUCLEASE VIII-LIKE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.DOUBLIE,V.BANDARU,J.P.BOND,S.S.WALLACE . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 18.0 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 1 0 0 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 2 2 1 0 1 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 0 1 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 2 A P 0 0 58 0, 0.0 2,-0.2 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 167.9 24.7 16.4 8.5 2 3 A E >> - 0 0 18 172,-0.1 4,-1.4 226,-0.0 3,-0.8 -0.753 360.0 -86.2-122.0 168.2 26.8 19.3 9.7 3 4 A G H 3> S+ 0 0 2 169,-3.0 4,-2.4 -2,-0.2 5,-0.2 0.817 118.0 56.4 -39.5 -54.1 27.4 21.0 13.1 4 5 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.899 107.3 50.6 -50.7 -45.5 24.5 23.4 13.1 5 6 A E H <> S+ 0 0 76 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.925 109.5 48.3 -61.3 -47.5 21.9 20.6 12.7 6 7 A L H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.920 113.7 48.5 -59.9 -42.1 23.3 18.5 15.5 7 8 A H H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.950 113.5 46.1 -61.1 -50.7 23.3 21.6 17.8 8 9 A L H X S+ 0 0 20 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.855 111.5 52.8 -61.3 -36.3 19.8 22.5 16.9 9 10 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.904 108.2 50.2 -65.8 -42.8 18.6 18.9 17.3 10 11 A S H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 109.0 52.0 -62.1 -42.5 20.1 18.7 20.8 11 12 A Q H X S+ 0 0 61 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.929 108.6 51.6 -60.3 -44.5 18.3 21.9 21.7 12 13 A F H X S+ 0 0 29 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.922 109.8 48.3 -58.6 -47.9 15.1 20.4 20.5 13 14 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.955 112.8 47.4 -59.5 -51.3 15.4 17.3 22.6 14 15 A N H X S+ 0 0 58 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.922 116.7 42.4 -56.3 -48.9 16.3 19.2 25.8 15 16 A E H < S+ 0 0 34 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.891 117.8 45.6 -66.3 -41.9 13.4 21.7 25.4 16 17 A A H < S+ 0 0 29 -4,-2.7 3,-0.2 -5,-0.3 -2,-0.2 0.822 121.9 37.0 -71.8 -32.4 10.9 19.1 24.4 17 18 A C H >< S+ 0 0 1 -4,-2.6 3,-1.5 -5,-0.3 29,-0.3 0.505 84.2 105.0 -98.3 -7.3 11.9 16.6 27.1 18 19 A R T 3< S+ 0 0 178 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.830 97.4 21.8 -41.8 -46.3 12.6 19.1 29.9 19 20 A A T 3 S+ 0 0 80 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.282 101.9 107.7-110.4 9.4 9.4 18.3 31.7 20 21 A L < - 0 0 41 -3,-1.5 2,-0.5 26,-0.1 26,-0.3 -0.625 53.8-152.2 -89.5 148.3 8.6 14.8 30.3 21 22 A V - 0 0 38 84,-0.3 82,-3.4 -2,-0.3 2,-0.2 -0.986 12.9-161.2-120.8 121.8 9.0 11.6 32.3 22 23 A F E -AB 44 102A 0 22,-3.0 22,-2.7 -2,-0.5 2,-0.3 -0.633 9.7-175.1 -99.3 160.4 9.8 8.5 30.3 23 24 A G E + 0 0 15 78,-2.6 78,-0.4 20,-0.2 19,-0.3 -0.996 36.6 23.3-155.2 156.7 9.3 4.9 31.5 24 25 A G E S-A 41 0A 27 17,-1.6 17,-1.4 -2,-0.3 2,-0.1 -0.589 93.4 -26.5 91.6-153.9 9.9 1.3 30.5 25 26 A C E -A 40 0A 56 -2,-0.2 2,-0.6 15,-0.2 76,-0.5 -0.467 56.9-110.4 -96.5 168.7 12.5 0.0 28.1 26 27 A V - 0 0 5 13,-0.6 2,-0.4 11,-0.5 11,-0.4 -0.899 38.8-145.5 -98.0 119.0 14.2 1.6 25.1 27 28 A E E -F 99 0B 79 72,-2.0 72,-2.8 -2,-0.6 2,-0.4 -0.748 13.9-167.3 -96.2 134.1 12.9 -0.1 22.0 28 29 A K E -F 98 0B 27 -2,-0.4 70,-0.2 70,-0.2 69,-0.1 -0.905 29.9-110.6-114.2 140.9 14.9 -0.8 18.9 29 30 A S - 0 0 17 68,-1.8 3,-0.2 -2,-0.4 68,-0.1 -0.336 25.9-122.7 -64.5 153.9 13.4 -1.9 15.6 30 31 A S S S+ 0 0 126 1,-0.2 -1,-0.1 3,-0.0 67,-0.0 0.871 109.6 55.2 -67.9 -35.0 14.2 -5.5 14.7 31 32 A V S S+ 0 0 73 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.794 82.5 103.1 -69.1 -29.9 15.7 -4.4 11.3 32 33 A S - 0 0 8 -3,-0.2 -4,-0.0 1,-0.2 86,-0.0 -0.323 57.4-158.1 -59.7 130.8 18.2 -1.9 12.9 33 34 A R + 0 0 247 85,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.438 62.5 105.0 -88.4 -0.7 21.7 -3.3 12.9 34 35 A N S S- 0 0 33 1,-0.1 89,-0.1 86,-0.1 87,-0.0 -0.334 84.4 -79.3 -74.0 163.2 22.6 -0.8 15.7 35 36 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.283 40.5-110.6 -68.6 147.8 23.0 -2.2 19.3 36 37 A E - 0 0 116 -3,-0.1 88,-0.1 1,-0.1 -9,-0.1 -0.427 31.3-125.4 -69.6 150.6 20.1 -3.0 21.7 37 38 A V - 0 0 6 -11,-0.4 2,-0.9 -2,-0.1 -11,-0.5 -0.845 13.4-148.5-105.2 99.9 20.0 -0.5 24.6 38 39 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -13,-0.0 -0.545 51.4 122.8 -68.1 105.3 20.0 -2.4 27.9 39 40 A F + 0 0 12 -2,-0.9 -13,-0.6 -13,-0.1 2,-0.3 -0.949 29.2 168.5-165.7 142.2 17.9 -0.0 30.0 40 41 A E E +A 25 0A 101 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.882 11.1 152.5-161.9 126.6 14.7 -0.1 32.1 41 42 A S E -A 24 0A 1 -17,-1.4 -17,-1.6 -2,-0.3 3,-0.2 -0.913 40.4-139.8-160.6 130.9 13.3 2.5 34.5 42 43 A S E S+ 0 0 63 24,-2.5 2,-0.3 -2,-0.3 -1,-0.1 0.715 97.7 16.9 -62.7 -22.5 9.8 3.4 35.6 43 44 A A E S+ 0 0 22 19,-0.1 19,-3.1 23,-0.1 2,-0.3 -0.813 76.4 151.3-157.1 110.6 10.7 7.1 35.5 44 45 A Y E -AC 22 61A 0 -22,-2.7 -22,-3.0 17,-0.3 2,-0.4 -0.964 31.7-131.4-142.2 158.7 13.6 8.8 33.7 45 46 A R E - C 0 60A 90 15,-2.5 15,-3.2 -2,-0.3 2,-0.4 -0.855 14.6-145.9-111.2 145.0 14.5 12.0 32.1 46 47 A I E + C 0 59A 6 -2,-0.4 2,-0.3 -29,-0.3 13,-0.2 -0.925 23.9 165.5-111.1 134.0 16.2 12.5 28.7 47 48 A S E - C 0 58A 43 11,-1.8 11,-2.5 -2,-0.4 2,-0.3 -0.877 12.9-161.0-137.9 166.7 18.6 15.3 28.1 48 49 A A E - C 0 57A 11 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 13.1-173.1-153.5 158.3 21.1 15.9 25.3 49 50 A S E - C 0 56A 40 7,-1.7 7,-2.9 -2,-0.3 2,-0.3 -0.932 17.6-139.8-143.3 163.1 24.2 17.8 24.2 50 51 A A E + C 0 55A 19 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.922 15.4 179.7-128.6 154.7 26.0 18.1 20.8 51 52 A R E > - C 0 54A 39 3,-2.4 3,-1.5 -2,-0.3 2,-0.2 -0.805 65.6 -49.5-154.5 106.6 29.7 18.1 19.8 52 53 A G T 3 S- 0 0 2 119,-0.3 -46,-0.2 -2,-0.3 -45,-0.2 -0.454 123.5 -15.8 65.6-128.0 30.5 18.4 16.1 53 54 A K T 3 S+ 0 0 39 -2,-0.2 25,-0.4 -3,-0.1 2,-0.4 0.108 121.4 90.1 -96.9 22.5 28.5 15.9 14.1 54 55 A E E < -C 51 0A 2 -3,-1.5 -3,-2.4 23,-0.1 2,-0.4 -0.930 55.7-160.5-122.1 144.5 27.6 13.9 17.2 55 56 A L E -CD 50 76A 0 21,-2.1 21,-3.7 -2,-0.4 2,-0.5 -0.986 9.2-155.2-122.5 131.1 24.6 14.1 19.6 56 57 A R E -CD 49 75A 64 -7,-2.9 -7,-1.7 -2,-0.4 2,-0.4 -0.929 4.7-163.5-112.3 121.3 24.7 12.5 23.0 57 58 A L E -CD 48 74A 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.4 -0.802 4.0-160.5 -98.5 142.6 21.5 11.5 24.8 58 59 A I E -CD 47 73A 50 -11,-2.5 -11,-1.8 -2,-0.4 2,-0.6 -0.995 4.2-156.1-126.6 127.3 21.6 10.8 28.5 59 60 A L E -CD 46 72A 0 13,-3.0 13,-2.0 -2,-0.4 -13,-0.2 -0.915 15.2-173.2-103.4 116.0 18.9 8.8 30.2 60 61 A S E -C 45 0A 40 -15,-3.2 -15,-2.5 -2,-0.6 10,-0.1 -0.893 17.6-137.6-119.8 107.4 18.6 9.7 33.9 61 62 A P E -C 44 0A 32 0, 0.0 -17,-0.3 0, 0.0 3,-0.1 -0.284 24.1-126.2 -59.2 140.0 16.4 7.7 36.3 62 63 A L > - 0 0 46 -19,-3.1 3,-2.1 1,-0.2 -19,-0.1 -0.466 42.1 -73.3 -84.5 158.9 14.4 9.9 38.7 63 64 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.247 121.4 16.4 -53.7 133.3 14.6 9.3 42.5 64 65 A G T 3 S+ 0 0 71 1,-0.3 -22,-0.1 -3,-0.1 4,-0.0 0.122 88.9 146.2 91.0 -22.3 12.6 6.3 43.4 65 66 A A < - 0 0 13 -3,-2.1 -1,-0.3 -22,-0.2 4,-0.2 -0.082 43.6-104.2 -49.0 145.8 12.4 4.9 39.9 66 67 A Q S S+ 0 0 128 2,-0.1 -24,-2.5 -3,-0.1 2,-0.2 -0.957 84.5 30.5-134.8 150.6 12.5 1.1 39.6 67 68 A P S S- 0 0 62 0, 0.0 -25,-0.1 0, 0.0 -27,-0.1 0.680 100.3 -92.5 -78.1 178.2 14.2 -1.1 38.9 68 69 A Q + 0 0 166 -2,-0.2 2,-0.3 -27,-0.1 -2,-0.1 -0.296 57.6 171.5 -55.3 129.2 17.6 0.2 40.0 69 70 A Q - 0 0 55 -4,-0.2 3,-0.1 -30,-0.1 -4,-0.1 -0.973 27.3-140.0-148.8 130.2 19.2 1.8 36.9 70 71 A E - 0 0 128 -2,-0.3 -11,-0.1 1,-0.1 0, 0.0 -0.496 44.0 -87.8 -83.2 154.9 22.3 3.8 36.5 71 72 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.344 47.8-154.9 -60.0 146.6 22.3 6.8 34.1 72 73 A L E -D 59 0A 37 -13,-2.0 -13,-3.0 -3,-0.1 2,-0.3 -0.994 6.2-155.4-131.2 134.4 23.1 5.7 30.5 73 74 A A E -D 58 0A 19 -2,-0.4 52,-2.9 -15,-0.2 2,-0.4 -0.818 6.8-170.0-107.5 147.4 24.5 7.8 27.7 74 75 A L E -DE 57 124A 0 -17,-2.7 -17,-3.1 -2,-0.3 2,-0.5 -0.999 10.3-149.7-136.5 131.1 24.1 7.1 24.0 75 76 A V E -DE 56 123A 2 48,-2.0 48,-1.8 50,-0.4 2,-0.3 -0.908 16.6-160.7-107.3 128.4 26.0 8.9 21.2 76 77 A F E -DE 55 122A 0 -21,-3.7 -21,-2.1 -2,-0.5 2,-0.5 -0.809 18.7-165.8-111.6 149.8 24.4 9.3 17.8 77 78 A R E - E 0 121A 88 44,-2.8 44,-2.8 -2,-0.3 -23,-0.1 -0.996 16.6-154.6-127.9 117.2 25.6 10.0 14.3 78 79 A F > - 0 0 3 -2,-0.5 4,-0.7 -25,-0.4 3,-0.3 0.876 17.5-166.5 -64.3 -45.9 22.6 11.0 12.1 79 80 A G T >4 - 0 0 19 1,-0.2 3,-0.6 2,-0.2 41,-0.1 -0.213 53.8 -41.2 78.2-179.1 23.7 10.1 8.6 80 81 A M T 34 S+ 0 0 147 1,-0.2 -1,-0.2 -79,-0.1 -2,-0.1 0.811 141.0 17.1 -50.8 -40.5 21.9 11.2 5.5 81 82 A S T 34 S+ 0 0 33 -3,-0.3 35,-0.5 2,-0.0 -1,-0.2 0.267 89.4 125.5-124.8 14.5 18.4 10.8 6.9 82 83 A G << + 0 0 5 -4,-0.7 2,-0.3 -3,-0.6 33,-0.2 -0.439 27.6 149.5 -76.7 150.8 18.6 10.5 10.7 83 84 A S E -G 114 0B 22 31,-1.6 31,-2.1 -2,-0.1 2,-0.4 -0.972 41.9-114.3-165.6 168.6 16.5 12.7 13.0 84 85 A F E +G 113 0B 2 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.956 33.4 177.8-116.5 136.3 14.8 13.0 16.3 85 86 A Q E -G 112 0B 69 27,-2.2 27,-3.3 -2,-0.4 2,-0.6 -0.996 22.9-149.0-139.5 142.0 11.1 13.4 16.4 86 87 A L E +G 111 0B 48 -2,-0.3 25,-0.2 154,-0.3 -2,-0.0 -0.956 36.2 163.2-112.4 112.4 8.6 13.6 19.3 87 88 A V E -G 110 0B 21 23,-2.3 23,-2.5 -2,-0.6 5,-0.1 -0.826 44.2 -83.0-131.1 166.3 5.3 12.1 18.3 88 89 A P E > -G 109 0B 61 0, 0.0 3,-2.5 0, 0.0 21,-0.3 -0.437 45.6-116.8 -66.8 142.8 2.0 10.8 19.6 89 90 A R G > S+ 0 0 76 19,-2.4 3,-0.6 1,-0.3 20,-0.1 0.782 114.0 51.6 -49.6 -35.7 2.3 7.1 20.7 90 91 A E G 3 S+ 0 0 179 18,-0.3 -1,-0.3 1,-0.2 19,-0.1 0.445 104.9 59.5 -85.1 0.6 -0.3 5.9 18.1 91 92 A E G < + 0 0 133 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.1 -0.243 68.3 165.5-123.1 46.4 1.6 7.7 15.3 92 93 A L < - 0 0 60 -3,-0.6 -3,-0.1 1,-0.1 7,-0.0 -0.429 44.6-109.5 -65.0 127.7 5.0 6.1 15.4 93 94 A P > - 0 0 30 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.278 24.2-119.4 -57.7 142.0 7.0 6.9 12.2 94 95 A R T 3 S+ 0 0 227 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.800 112.2 43.9 -53.4 -32.0 7.4 3.9 9.9 95 96 A H T 3 S+ 0 0 56 -66,-0.0 20,-2.0 2,-0.0 2,-0.9 -0.070 73.6 137.3-108.9 34.1 11.2 4.2 10.2 96 97 A A E < + H 0 114B 6 -3,-1.8 18,-0.3 18,-0.2 3,-0.1 -0.715 23.3 175.1 -81.0 106.6 11.6 4.8 13.9 97 98 A H E + 0 0 8 16,-1.9 -68,-1.8 -2,-0.9 2,-0.4 0.603 66.0 32.0 -91.1 -14.2 14.5 2.6 14.8 98 99 A L E S-FH 28 113B 0 15,-1.1 15,-2.4 -70,-0.2 2,-0.4 -0.970 73.1-172.9-145.5 127.6 14.9 3.6 18.5 99 100 A R E -FH 27 112B 41 -72,-2.8 -72,-2.0 -2,-0.4 2,-0.4 -0.970 17.3-169.7-132.8 141.5 12.1 4.7 20.7 100 101 A F E - H 0 111B 0 11,-2.3 11,-2.6 -2,-0.4 2,-0.4 -0.995 20.2-150.5-124.1 126.2 11.6 6.1 24.2 101 102 A Y E - H 0 110B 15 -76,-0.5 -78,-2.6 -2,-0.4 9,-0.2 -0.830 14.7-119.7-105.5 136.6 8.0 6.2 25.6 102 103 A T B -B 22 0A 4 7,-2.5 -80,-0.3 -2,-0.4 4,-0.1 -0.386 34.6-110.5 -70.0 148.1 6.6 8.7 28.1 103 104 A A - 0 0 7 -82,-3.4 -82,-0.2 -59,-0.2 -1,-0.1 -0.460 42.7 -83.5 -78.6 152.7 5.3 7.4 31.4 104 105 A P S S+ 0 0 97 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.593 99.6 99.4 -23.9 -43.6 1.6 7.3 32.4 105 106 A P S S- 0 0 110 0, 0.0 -84,-0.3 0, 0.0 -2,-0.1 -0.391 93.7 -17.6 -60.8 104.8 1.4 10.9 33.6 106 107 A G S S- 0 0 47 -2,-0.8 3,-0.1 -86,-0.1 -86,-0.0 -0.256 112.7 -9.7 94.3 176.8 -0.0 12.9 30.7 107 108 A P S S- 0 0 110 0, 0.0 2,-0.5 0, 0.0 -5,-0.1 -0.194 74.6-112.0 -50.9 130.1 -0.5 12.2 26.9 108 109 A R + 0 0 108 -4,-0.1 -19,-2.4 -7,-0.1 -18,-0.3 -0.526 51.4 164.9 -71.1 116.6 1.4 9.1 25.7 109 110 A L E -G 88 0B 41 -2,-0.5 -7,-2.5 -21,-0.3 2,-0.4 -0.820 25.8-144.6-127.5 168.4 4.2 10.3 23.5 110 111 A A E -GH 87 101B 0 -23,-2.5 -23,-2.3 -2,-0.3 2,-0.6 -0.986 7.6-146.2-141.6 128.8 7.4 8.8 22.0 111 112 A L E -GH 86 100B 0 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.4 -0.827 34.2-171.6 -88.7 123.8 10.8 10.3 21.3 112 113 A C E -GH 85 99B 0 -27,-3.3 -27,-2.2 -2,-0.6 2,-0.7 -0.949 32.4-144.4-125.7 144.6 12.1 8.5 18.2 113 114 A F E -GH 84 98B 1 -15,-2.4 -16,-1.9 -2,-0.4 -15,-1.1 -0.929 32.6-166.6 -99.2 113.4 15.3 8.4 16.2 114 115 A V E +GH 83 96B 16 -31,-2.1 -31,-1.6 -2,-0.7 -18,-0.2 -0.859 20.1 158.5-104.9 140.1 13.9 8.1 12.6 115 116 A D > - 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0 0 183 -3,-0.1 -52,-0.1 -54,-0.1 -4,-0.1 -0.594 57.5-131.2 -77.5 126.8 32.2 8.7 24.7 128 129 A W - 0 0 52 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.236 47.0 -68.6 -68.3 165.6 32.6 10.9 21.6 129 130 A Q > - 0 0 63 1,-0.1 3,-1.7 2,-0.1 -1,-0.2 -0.324 62.1-102.6 -59.0 131.2 34.1 9.3 18.5 130 131 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.318 102.8 13.9 -58.0 130.1 37.8 8.6 19.1 131 132 A G T 3 S+ 0 0 57 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.163 86.3 134.3 93.1 -20.1 40.1 11.2 17.4 132 133 A R < - 0 0 43 -3,-1.7 -1,-0.3 1,-0.1 36,-0.3 -0.452 49.9-132.8 -67.2 134.8 37.4 13.8 16.7 133 134 A G - 0 0 7 34,-2.2 36,-0.2 1,-0.2 10,-0.1 -0.041 38.9 -56.5 -78.8-176.3 38.6 17.3 17.6 134 135 A P - 0 0 16 0, 0.0 37,-0.4 0, 0.0 2,-0.2 -0.280 65.1 -95.4 -61.6 146.7 36.9 20.0 19.6 135 136 A C > - 0 0 4 1,-0.1 4,-2.4 -3,-0.1 8,-0.3 -0.439 23.5-142.2 -65.7 128.1 33.5 21.2 18.4 136 137 A V T 4 S+ 0 0 1 35,-1.8 -1,-0.1 -2,-0.2 36,-0.1 0.702 100.5 42.2 -65.6 -18.2 33.9 24.4 16.2 137 138 A L T 4 S+ 0 0 24 2,-0.1 3,-0.3 91,-0.1 -1,-0.2 0.889 127.2 24.2 -93.4 -48.4 30.6 25.7 17.7 138 139 A Q T 4 S+ 0 0 120 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.609 130.3 37.7 -95.2 -15.3 31.0 24.9 21.4 139 140 A E X + 0 0 54 -4,-2.4 4,-2.7 1,-0.1 5,-0.2 -0.283 66.8 149.5-131.6 48.7 34.7 24.7 21.8 140 141 A Y H > S+ 0 0 60 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.893 73.1 46.8 -49.7 -53.1 36.1 27.4 19.5 141 142 A Q H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 115.9 44.6 -60.0 -46.0 39.3 28.2 21.5 142 143 A Q H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 113.3 52.9 -64.4 -37.5 40.3 24.6 22.0 143 144 A F H X S+ 0 0 0 -4,-2.7 4,-1.6 -8,-0.3 -2,-0.2 0.954 112.5 44.0 -61.1 -50.6 39.4 23.9 18.3 144 145 A R H X S+ 0 0 48 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.906 113.1 49.9 -62.3 -45.4 41.7 26.8 17.1 145 146 A E H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.892 108.9 53.6 -62.6 -39.0 44.6 26.0 19.5 146 147 A S H X S+ 0 0 15 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.857 109.1 48.2 -65.6 -36.0 44.5 22.3 18.3 147 148 A V H < S+ 0 0 0 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.952 114.9 43.7 -68.4 -49.4 44.7 23.3 14.6 148 149 A L H >< S+ 0 0 33 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.835 113.6 51.8 -64.8 -34.6 47.7 25.7 15.2 149 150 A R H 3< S+ 0 0 170 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.781 116.0 40.2 -73.4 -28.4 49.5 23.3 17.5 150 151 A N T >< S+ 0 0 51 -4,-1.2 3,-2.0 -3,-0.3 -1,-0.2 0.096 72.7 119.3-110.5 23.4 49.2 20.4 15.0 151 152 A L T < + 0 0 3 -3,-0.7 5,-0.2 1,-0.3 -1,-0.2 0.784 69.5 66.8 -58.1 -28.0 49.9 22.2 11.7 152 153 A A T 3 S+ 0 0 92 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.706 78.2 111.1 -66.1 -19.3 52.9 20.0 11.2 153 154 A D S X S- 0 0 57 -3,-2.0 3,-1.9 1,-0.1 -3,-0.0 -0.211 81.9-120.6 -57.0 144.5 50.6 17.1 10.8 154 155 A K G > S+ 0 0 146 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.637 104.9 82.3 -62.5 -12.8 50.4 15.6 7.3 155 156 A A G > S+ 0 0 7 1,-0.3 3,-0.8 -5,-0.2 -1,-0.3 0.825 87.6 54.9 -61.6 -29.0 46.7 16.4 7.4 156 157 A F G < S+ 0 0 0 -3,-1.9 38,-2.7 -5,-0.2 39,-0.3 0.257 87.4 75.8 -91.2 13.7 47.6 19.9 6.4 157 158 A D G < S+ 0 0 75 -3,-1.8 -1,-0.2 36,-0.2 -2,-0.2 0.577 84.0 85.5 -92.0 -14.7 49.6 18.9 3.3 158 159 A R S < S- 0 0 96 -3,-0.8 35,-2.7 -4,-0.4 36,-0.2 -0.357 100.0 -80.6 -80.8 163.5 46.2 18.3 1.6 159 160 A P B >> -I 192 0C 9 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.299 43.3-112.2 -63.3 154.9 44.3 21.1 -0.1 160 161 A I H 3> S+ 0 0 0 31,-2.9 4,-2.2 28,-0.3 30,-0.2 0.859 115.0 58.7 -57.0 -39.2 42.3 23.3 2.2 161 162 A C H 34 S+ 0 0 0 28,-2.7 -1,-0.3 1,-0.2 4,-0.2 0.823 111.9 42.4 -63.1 -28.5 38.9 22.1 1.0 162 163 A E H X4 S+ 0 0 18 -3,-1.0 3,-1.5 27,-0.4 4,-0.5 0.878 110.7 53.4 -82.9 -42.1 39.8 18.6 2.0 163 164 A A H >< S+ 0 0 4 -4,-2.4 3,-1.4 1,-0.3 6,-0.2 0.857 99.4 65.4 -62.0 -32.5 41.5 19.4 5.3 164 165 A L T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 9,-0.2 0.710 100.9 50.5 -62.6 -20.0 38.3 21.3 6.3 165 166 A L T < S+ 0 0 12 -3,-1.5 2,-1.0 -4,-0.2 -1,-0.3 0.544 79.6 110.0 -94.7 -7.7 36.4 17.9 6.2 166 167 A D X> - 0 0 33 -3,-1.4 4,-2.5 -4,-0.5 3,-2.0 -0.567 56.6-159.9 -70.7 104.0 39.0 16.2 8.4 167 168 A Q T 34 S+ 0 0 27 -2,-1.0 -34,-2.2 1,-0.3 4,-0.3 0.555 83.1 74.8 -65.3 -7.2 37.0 15.7 11.6 168 169 A R T 34 S+ 0 0 121 -36,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.773 119.1 13.0 -74.5 -23.5 40.2 15.3 13.6 169 170 A F T <4 S+ 0 0 18 -3,-2.0 -2,-0.2 -6,-0.2 -22,-0.1 0.619 135.3 40.2-124.4 -23.4 40.7 19.0 13.3 170 171 A F S >< S- 0 0 0 -4,-2.5 3,-2.4 -7,-0.2 2,-0.4 -0.365 71.7-177.2-127.1 52.2 37.4 20.6 12.0 171 172 A N T 3 S+ 0 0 0 -37,-0.4 -35,-1.8 -4,-0.3 -119,-0.3 -0.336 73.7 22.9 -56.5 108.3 34.8 18.6 14.0 172 173 A G T 3 S+ 0 0 0 1,-0.4 -169,-3.0 -2,-0.4 2,-0.4 0.071 90.4 118.7 122.0 -22.3 31.4 19.9 12.7 173 174 A I < + 0 0 0 -3,-2.4 -1,-0.4 -171,-0.2 2,-0.2 -0.639 38.1 170.7 -81.1 130.1 32.4 21.2 9.3 174 175 A G > - 0 0 3 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.544 48.2 -70.3-124.3-168.3 30.7 19.5 6.4 175 176 A N H > S+ 0 0 35 1,-0.2 4,-0.9 2,-0.2 100,-0.3 0.817 127.3 41.5 -60.1 -38.6 30.4 19.9 2.6 176 177 A Y H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.1 82,-0.3 0.869 114.7 52.1 -80.3 -32.6 28.2 23.0 2.5 177 178 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.928 105.7 52.5 -67.9 -44.0 30.1 24.7 5.3 178 179 A R H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.878 111.4 49.4 -60.4 -33.9 33.5 24.3 3.8 179 180 A A H X S+ 0 0 1 -4,-0.9 4,-1.9 -5,-0.2 -1,-0.2 0.948 113.8 43.4 -68.7 -48.7 32.1 25.9 0.6 180 181 A E H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.885 115.2 50.0 -64.3 -39.0 30.5 28.8 2.4 181 182 A I H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 3,-0.3 0.952 112.3 44.9 -65.0 -52.5 33.6 29.4 4.6 182 183 A L H X>S+ 0 0 6 -4,-2.1 5,-2.0 -5,-0.3 4,-0.8 0.858 110.6 56.5 -61.7 -35.1 36.1 29.4 1.7 183 184 A Y H <5S+ 0 0 43 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.859 98.5 60.3 -65.4 -36.5 33.8 31.6 -0.3 184 185 A R H <5S+ 0 0 46 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.866 118.5 29.5 -59.0 -37.0 33.8 34.3 2.5 185 186 A L H <5S- 0 0 56 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.396 104.3-127.4-103.0 -0.1 37.5 34.7 2.2 186 187 A K T <5 + 0 0 111 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.866 48.3 166.7 55.0 39.3 37.8 33.8 -1.5 187 188 A I < - 0 0 29 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.758 43.6-111.0 -89.3 123.3 40.4 31.2 -0.7 188 189 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 -28,-0.3 -0.287 22.0-135.5 -52.6 127.1 41.1 28.7 -3.5 189 190 A P T 3 S+ 0 0 2 0, 0.0 -28,-2.7 0, 0.0 -27,-0.4 0.771 101.5 49.9 -57.7 -27.4 39.8 25.3 -2.4 190 191 A F T 3 S+ 0 0 2 90,-2.8 93,-2.1 89,-0.2 2,-0.2 0.073 78.2 120.9-104.8 26.5 42.9 23.5 -3.7 191 192 A E S < S- 0 0 60 -3,-1.6 -31,-2.9 90,-0.2 -30,-0.2 -0.625 82.2 -87.8 -81.7 147.4 45.5 25.7 -2.0 192 193 A K B > -I 159 0C 88 -2,-0.2 4,-1.2 -33,-0.2 3,-0.4 -0.360 36.8-132.9 -57.8 128.1 47.8 23.8 0.3 193 194 A A H >> S+ 0 0 0 -35,-2.7 4,-1.2 1,-0.2 3,-1.1 0.931 103.5 49.5 -50.1 -56.7 46.1 23.7 3.7 194 195 A R H 3> S+ 0 0 43 -38,-2.7 4,-2.7 1,-0.3 3,-0.3 0.847 104.7 61.2 -54.4 -34.3 49.2 24.7 5.8 195 196 A S H 34 S+ 0 0 57 -3,-0.4 4,-0.4 -39,-0.3 -1,-0.3 0.863 104.5 47.5 -62.2 -35.0 49.8 27.6 3.4 196 197 A V H << S+ 0 0 35 -4,-1.2 -1,-0.2 -3,-1.1 24,-0.2 0.748 121.2 35.9 -78.0 -23.6 46.5 29.2 4.3 197 198 A L H >< S+ 0 0 0 -4,-1.2 3,-2.3 -3,-0.3 4,-0.4 0.667 89.2 91.1-103.7 -21.3 47.0 28.8 8.0 198 199 A E G >< S+ 0 0 108 -4,-2.7 3,-2.6 1,-0.3 -3,-0.1 0.841 81.5 60.1 -42.3 -48.2 50.7 29.4 8.5 199 200 A A G 3 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.773 98.7 59.8 -55.6 -26.4 50.3 33.1 9.0 200 201 A L G < 0 0 43 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.572 360.0 360.0 -79.7 -8.9 48.1 32.3 12.0 201 202 A Q < 0 0 147 -3,-2.6 -3,-0.1 -4,-0.4 -1,-0.1 -0.326 360.0 360.0 -55.7 360.0 51.1 30.4 13.6 202 ! 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 0.0 203 208 A P 0 0 187 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.1 47.1 37.9 26.5 204 209 A E + 0 0 173 1,-0.3 2,-0.3 2,-0.0 0, 0.0 0.769 360.0 36.4-106.3 -77.4 48.9 39.5 23.6 205 210 A L S S- 0 0 65 1,-0.1 -1,-0.3 4,-0.0 2,-0.1 -0.605 80.5-131.7 -82.2 138.9 46.7 41.9 21.6 206 211 A T > - 0 0 77 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.373 27.1-101.8 -82.7 167.3 44.3 44.0 23.6 207 212 A L H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 123.5 52.1 -56.1 -42.5 40.6 44.4 22.7 208 213 A S H > S+ 0 0 93 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.883 111.0 48.0 -63.5 -36.2 41.2 47.8 21.2 209 214 A Q H > S+ 0 0 90 -3,-0.2 4,-1.6 2,-0.2 5,-0.2 0.914 112.6 47.8 -70.0 -41.9 44.0 46.4 19.0 210 215 A K H X>S+ 0 0 93 -4,-2.6 4,-2.7 1,-0.2 5,-2.1 0.878 108.8 54.0 -65.8 -38.7 41.8 43.5 17.9 211 216 A I H <5S+ 0 0 86 -4,-2.6 5,-0.3 -5,-0.2 -1,-0.2 0.861 112.7 46.0 -63.6 -32.6 38.9 45.8 17.1 212 217 A R H <5S+ 0 0 210 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.756 130.1 16.7 -83.3 -26.3 41.3 47.8 14.9 213 218 A T H <5S+ 0 0 85 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.2 0.466 132.0 33.0-127.1 -3.5 43.0 44.9 13.0 214 219 A K T ><5S+ 0 0 72 -4,-2.7 3,-1.9 -5,-0.2 -3,-0.2 0.695 96.1 74.9-121.2 -37.2 40.8 41.8 13.4 215 220 A L T 3 - 0 0 31 1,-0.1 4,-2.1 -2,-0.0 3,-0.5 -0.462 28.3 -95.9 -93.5 167.9 40.6 34.6 9.6 220 225 A L H > S+ 0 0 5 1,-0.2 4,-1.4 -24,-0.2 -1,-0.1 0.866 123.5 50.1 -48.4 -44.9 39.7 31.2 8.3 221 226 A L H 4 S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.870 107.1 53.8 -66.8 -36.1 39.6 29.7 11.8 222 227 A E H >> S+ 0 0 58 -3,-0.5 4,-2.6 1,-0.2 3,-1.1 0.916 109.2 49.6 -63.6 -40.2 37.3 32.4 13.1 223 228 A L H 3X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.781 95.7 69.0 -70.5 -26.1 34.9 31.7 10.3 224 229 A C H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.718 114.0 33.0 -63.5 -16.9 34.9 28.0 11.0 225 230 A H H <> S+ 0 0 42 -3,-1.1 4,-1.3 -4,-0.5 -2,-0.2 0.822 121.8 43.9-101.3 -50.7 33.1 29.1 14.2 226 231 A S H X S+ 0 0 39 -4,-2.6 4,-1.2 2,-0.2 -3,-0.2 0.836 107.8 57.1 -69.1 -34.5 31.1 32.2 13.1 227 232 A V H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.9 0.971 111.2 41.3 -64.2 -51.8 29.7 30.8 9.8 228 233 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.841 109.1 61.7 -65.6 -26.1 28.0 27.8 11.4 229 234 A K H 3X S+ 0 0 114 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.815 98.0 57.9 -65.8 -28.3 26.9 30.0 14.2 230 235 A E H < S+ 0 0 78 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.908 112.7 50.6 -62.8 -41.8 20.8 31.6 14.8 234 239 A L H 3< S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.877 107.3 54.8 -63.4 -37.9 18.8 31.3 11.5 235 240 A G H >< S+ 0 0 17 -4,-2.4 3,-2.4 1,-0.2 4,-0.3 0.721 78.4 168.2 -70.0 -22.6 17.4 27.9 12.6 236 241 A G T << - 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