==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-JUN-06 2DR3 . COMPND 2 MOLECULE: UPF0273 PROTEIN PH0284; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 1419 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1065 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 192 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 11.3 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 . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 138 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.5 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 16 3 2 0 1 4 0 1 0 2 12 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 10 14 6 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 . 6 14 1 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 15 0 0 0 0 0 0 0 6 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 3 A R 0 0 187 0, 0.0 19,-0.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-171.4 5.8 15.0 129.0 2 4 A R E -A 19 0A 80 17,-0.2 2,-0.5 14,-0.1 15,-0.1 -0.787 360.0-116.8-140.7-178.1 4.6 11.5 129.9 3 5 A V E -A 18 0A 1 15,-0.7 15,-1.9 -2,-0.2 2,-0.9 -0.982 26.6-137.8-129.2 115.1 1.5 9.2 129.7 4 6 A K - 0 0 104 -2,-0.5 13,-0.1 13,-0.2 6,-0.0 -0.654 8.9-162.7 -80.3 107.6 -0.0 8.2 133.0 5 7 A T - 0 0 0 -2,-0.9 39,-0.3 1,-0.2 -1,-0.2 0.785 23.4-142.6 -57.3 -27.6 -0.9 4.5 132.9 6 8 A G + 0 0 31 1,-0.3 -1,-0.2 38,-0.1 -2,-0.1 0.251 55.7 137.2 80.9 -15.6 -3.1 5.1 135.9 7 9 A I >> - 0 0 2 1,-0.1 3,-2.1 30,-0.1 4,-0.8 -0.538 69.1-102.1 -69.0 114.5 -2.0 1.7 137.1 8 10 A P T 34 S+ 0 0 61 0, 0.0 219,-2.6 0, 0.0 -1,-0.1 -0.080 101.3 1.7 -41.1 115.1 -1.4 2.1 140.8 9 11 A G T 3> S+ 0 0 19 217,-0.1 4,-1.5 219,-0.1 5,-0.1 -0.015 108.1 94.8 95.3 -28.6 2.4 2.4 141.4 10 12 A V H <> S+ 0 0 2 -3,-2.1 4,-2.1 1,-0.2 7,-0.2 0.913 80.7 50.3 -64.5 -47.1 3.4 2.2 137.8 11 13 A D H <>S+ 0 0 22 -4,-0.8 5,-3.3 1,-0.3 6,-0.4 0.840 111.7 50.0 -64.4 -32.4 3.7 5.9 137.0 12 14 A E H >45S+ 0 0 118 3,-0.2 3,-1.1 1,-0.2 -1,-0.3 0.842 108.6 53.4 -68.1 -34.9 5.9 6.4 140.1 13 15 A I H 3<5S+ 0 0 5 -4,-1.5 199,-2.6 1,-0.3 -2,-0.2 0.840 111.0 45.2 -68.6 -32.7 8.0 3.5 138.9 14 16 A L T ><5S- 0 0 0 -4,-2.1 3,-0.8 197,-0.2 -1,-0.3 0.188 118.1-115.2 -91.5 16.0 8.4 5.2 135.6 15 17 A H T < 5S- 0 0 92 -3,-1.1 -3,-0.2 1,-0.3 195,-0.1 0.954 94.6 -10.6 51.3 56.6 9.1 8.4 137.4 16 18 A G T 3 -A 2 0A 13 0, 0.0 3,-1.6 0, 0.0 -17,-0.2 -0.371 46.1 -91.3 -62.2 140.5 7.5 9.0 127.6 20 22 A E T 3 S+ 0 0 41 -19,-0.7 142,-0.1 1,-0.2 3,-0.1 -0.170 106.7 14.4 -58.3 142.5 5.4 10.1 124.6 21 23 A R T 3 S+ 0 0 111 1,-0.3 -1,-0.2 139,-0.3 140,-0.1 0.349 93.3 140.2 75.7 -4.6 5.6 8.2 121.3 22 24 A N < - 0 0 17 -3,-1.6 141,-2.3 185,-0.1 2,-0.7 -0.439 47.8-145.0 -70.4 138.6 7.4 5.4 123.2 23 25 A V E -b 163 0B 1 139,-0.2 160,-2.0 -2,-0.1 161,-1.7 -0.940 19.0-159.0-106.2 111.6 6.5 1.9 122.2 24 26 A V E -bc 164 184B 2 139,-3.5 141,-2.4 -2,-0.7 2,-0.6 -0.821 8.2-143.9 -98.0 127.5 6.8 -0.2 125.4 25 27 A L E -bc 165 185B 0 159,-3.2 161,-3.1 -2,-0.5 2,-0.7 -0.782 10.6-164.8 -88.9 122.3 7.2 -4.0 125.2 26 28 A L E +bc 166 186B 0 139,-2.8 141,-2.6 -2,-0.6 2,-0.3 -0.913 20.4 178.7-107.7 102.6 5.3 -5.8 128.0 27 29 A S E +bc 167 187B 0 159,-1.7 161,-2.4 -2,-0.7 2,-0.3 -0.774 14.0 117.8-110.8 155.3 6.7 -9.3 128.1 28 30 A G E -b 168 0B 0 139,-1.4 141,-1.7 -2,-0.3 161,-0.1 -0.886 54.0 -80.5 166.2 163.5 6.1 -12.3 130.3 29 31 A G > - 0 0 14 159,-0.4 3,-1.1 -2,-0.3 5,-0.3 -0.063 69.1 -58.9 -74.8-179.5 4.9 -15.9 130.4 30 32 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 387,-0.1 -0.343 120.9 14.9 -63.8 142.3 1.2 -17.0 130.4 31 33 A G T 3 S+ 0 0 19 386,-0.1 -2,-0.1 -3,-0.1 412,-0.1 0.722 84.3 122.0 69.5 24.4 -0.9 -15.8 133.2 32 34 A T S < S- 0 0 5 -3,-1.1 157,-0.1 156,-0.1 168,-0.1 0.562 86.9-101.9 -93.0 -8.0 1.5 -13.0 134.3 33 35 A G S > S+ 0 0 8 -4,-0.2 4,-2.9 155,-0.1 5,-0.2 0.519 77.8 134.6 103.8 7.2 -1.1 -10.3 133.8 34 36 A K H > S+ 0 0 15 -5,-0.3 4,-2.1 1,-0.2 5,-0.2 0.844 76.3 48.5 -57.4 -36.5 -0.0 -8.7 130.5 35 37 A T H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.949 114.2 42.4 -70.9 -50.6 -3.6 -8.7 129.3 36 38 A I H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 115.3 53.8 -61.5 -41.7 -5.2 -7.1 132.3 37 39 A F H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.923 111.6 41.0 -58.0 -52.9 -2.3 -4.7 132.5 38 40 A S H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.765 114.9 52.6 -70.7 -25.9 -2.5 -3.4 128.9 39 41 A Q H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.870 108.6 50.4 -74.9 -36.7 -6.3 -3.2 129.1 40 42 A Q H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.889 106.2 56.7 -66.3 -38.8 -6.0 -1.2 132.3 41 43 A F H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.931 112.4 40.5 -56.4 -49.8 -3.6 1.1 130.5 42 44 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.927 114.5 52.4 -66.1 -47.0 -6.2 1.8 127.8 43 45 A W H X S+ 0 0 23 -4,-2.9 4,-2.0 1,-0.2 3,-0.3 0.920 110.5 46.1 -56.1 -50.1 -9.1 2.0 130.2 44 46 A N H X S+ 0 0 28 -4,-3.1 4,-1.0 -39,-0.3 -1,-0.2 0.873 107.5 61.7 -61.3 -34.0 -7.4 4.6 132.4 45 47 A G H ><>S+ 0 0 0 -4,-1.5 5,-3.1 -5,-0.3 3,-0.6 0.911 104.2 47.2 -57.0 -43.3 -6.6 6.3 129.2 46 48 A L H ><5S+ 0 0 4 -4,-1.9 3,-2.8 -3,-0.3 -1,-0.2 0.920 104.9 57.8 -64.9 -46.8 -10.3 6.7 128.5 47 49 A K H 3<5S+ 0 0 148 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.696 107.5 50.3 -57.9 -19.6 -11.1 8.0 131.9 48 50 A M T <<5S- 0 0 96 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.235 125.2-104.4-101.7 10.6 -8.6 10.8 131.3 49 51 A G T < 5S+ 0 0 42 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.745 75.7 141.3 74.0 23.5 -10.2 11.6 127.9 50 52 A E < - 0 0 35 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.892 52.7-122.3-105.6 118.3 -7.4 9.9 126.0 51 53 A P - 0 0 12 0, 0.0 77,-2.5 0, 0.0 76,-1.9 -0.187 33.0-164.7 -53.2 140.9 -8.5 7.9 122.8 52 54 A G E -de 84 128B 0 31,-1.9 33,-2.5 74,-0.2 2,-0.4 -0.986 16.3-163.3-139.1 147.2 -7.5 4.3 122.8 53 55 A I E -de 85 129B 0 75,-1.8 77,-2.5 -2,-0.3 2,-0.6 -0.988 4.6-161.5-130.8 125.9 -7.2 1.4 120.4 54 56 A Y E -de 86 130B 2 31,-2.5 33,-2.8 -2,-0.4 2,-0.9 -0.921 5.6-161.3-108.7 114.9 -6.9 -2.3 121.3 55 57 A V E -de 87 131B 1 75,-3.2 77,-2.2 -2,-0.6 2,-0.4 -0.839 14.8-161.6 -96.7 103.6 -5.6 -4.5 118.5 56 58 A A E +de 88 132B 0 31,-2.0 33,-2.4 -2,-0.9 77,-0.2 -0.727 32.7 152.4 -93.4 133.4 -6.6 -8.0 119.3 57 59 A L S S+ 0 0 1 75,-2.4 76,-0.3 -2,-0.4 -1,-0.1 0.391 79.2 49.5-128.5 -12.9 -4.9 -11.0 117.8 58 60 A E S S+ 0 0 14 74,-1.1 2,-0.3 1,-0.2 75,-0.1 0.750 119.1 20.5 -98.9 -32.1 -5.5 -13.5 120.6 59 61 A E S S- 0 0 20 73,-0.4 -1,-0.2 2,-0.0 30,-0.2 -0.927 82.7-103.3-135.8 159.7 -9.2 -12.9 121.2 60 62 A H >> - 0 0 8 -2,-0.3 3,-2.1 30,-0.1 4,-2.0 -0.586 37.8-111.5 -84.4 142.3 -12.2 -11.5 119.2 61 63 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.839 117.2 57.8 -39.3 -45.0 -13.3 -8.0 120.1 62 64 A V H 3> S+ 0 0 64 1,-0.2 4,-0.9 2,-0.2 5,-0.0 0.801 109.7 46.7 -61.2 -28.7 -16.7 -9.4 121.6 63 65 A Q H <> S+ 0 0 80 -3,-2.1 4,-2.1 2,-0.2 3,-0.2 0.921 109.3 52.0 -75.2 -48.5 -14.6 -11.4 123.9 64 66 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.928 106.9 53.6 -54.5 -45.6 -12.2 -8.6 124.9 65 67 A R H X S+ 0 0 28 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.901 109.2 50.2 -55.4 -41.0 -15.2 -6.3 125.8 66 68 A Q H X S+ 0 0 95 -4,-0.9 4,-1.0 -5,-0.2 -1,-0.2 0.874 109.4 49.9 -66.1 -39.6 -16.5 -9.1 128.1 67 69 A N H < S+ 0 0 33 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.944 116.8 40.0 -65.7 -48.0 -13.1 -9.6 129.8 68 70 A M H ><>S+ 0 0 0 -4,-2.6 3,-2.8 1,-0.2 5,-2.0 0.930 108.5 62.2 -65.5 -45.0 -12.7 -5.9 130.5 69 71 A A H ><5S+ 0 0 44 -4,-2.8 3,-0.9 -5,-0.3 -1,-0.2 0.783 97.7 59.8 -50.8 -28.9 -16.4 -5.5 131.3 70 72 A Q T 3<5S+ 0 0 128 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.641 101.6 51.9 -77.4 -14.5 -15.8 -7.9 134.2 71 73 A F T < 5S- 0 0 40 -3,-2.8 -1,-0.2 -4,-0.3 -2,-0.2 0.366 129.9 -94.8 -98.5 1.4 -13.2 -5.6 135.8 72 74 A G T < 5S+ 0 0 58 -3,-0.9 2,-0.7 -4,-0.4 -3,-0.2 0.662 87.4 130.6 92.6 19.5 -15.7 -2.8 135.6 73 75 A W < - 0 0 13 -5,-2.0 2,-0.9 -6,-0.1 -1,-0.2 -0.852 31.8-179.1-111.0 98.5 -14.4 -1.4 132.3 74 76 A D + 0 0 88 -2,-0.7 4,-0.5 1,-0.2 -8,-0.1 -0.822 9.0 171.6-100.4 101.5 -17.3 -0.8 129.9 75 77 A V > + 0 0 3 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.651 58.3 91.2 -81.9 -16.3 -15.8 0.5 126.6 76 78 A K H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 87.4 47.4 -45.6 -53.4 -19.2 0.2 124.7 77 79 A P H >> S+ 0 0 60 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.971 114.9 44.6 -55.0 -57.1 -20.2 3.8 125.6 78 80 A Y H 3>>S+ 0 0 55 -4,-0.5 5,-2.9 1,-0.3 4,-1.0 0.836 107.7 61.0 -56.0 -34.3 -16.8 5.2 124.6 79 81 A E H 3<5S+ 0 0 41 -4,-3.0 3,-0.4 1,-0.2 -1,-0.3 0.910 108.5 42.3 -58.9 -42.0 -16.9 3.0 121.5 80 82 A E H <<5S+ 0 0 163 -4,-1.9 -2,-0.2 -3,-0.7 -1,-0.2 0.891 110.4 57.3 -71.1 -40.9 -20.1 4.9 120.5 81 83 A K H <5S- 0 0 157 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.653 114.5-119.6 -51.4 -27.1 -18.6 8.2 121.5 82 84 A G T <5S+ 0 0 31 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.1 0.808 84.9 113.3 77.1 34.7 -15.7 7.5 119.1 83 85 A M S S+ 0 0 13 2,-0.1 3,-2.3 3,-0.0 4,-0.4 0.792 78.3 56.1-111.5 -58.0 -7.8 -12.3 115.3 91 93 A T T 3> S+ 0 0 15 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.633 98.9 69.7 -57.5 -13.1 -10.5 -14.0 113.2 92 94 A A T 34 S+ 0 0 35 1,-0.2 -1,-0.3 12,-0.2 15,-0.1 0.750 97.1 48.9 -77.6 -24.9 -8.0 -13.9 110.3 93 95 A G T <4 S+ 0 0 40 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.435 120.5 34.1 -94.5 1.5 -5.8 -16.5 111.9 94 96 A I T 4 S- 0 0 20 -3,-0.5 2,-0.2 -4,-0.4 -2,-0.2 0.545 119.5 -77.1-129.2 -16.5 -8.5 -19.0 112.7 95 97 A G < 0 0 48 -4,-1.5 290,-0.0 1,-0.1 -1,-0.0 -0.718 360.0 360.0 160.9-107.6 -11.1 -18.8 109.9 96 98 A K 0 0 238 -2,-0.2 -4,-0.1 -3,-0.1 -5,-0.1 0.308 360.0 360.0-150.3 360.0 -13.9 -16.3 109.2 97 ! 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 98 101 A E 0 0 203 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 -20.3 -10.4 112.4 99 102 A Y - 0 0 188 4,-0.0 2,-0.3 2,-0.0 4,-0.0 -0.433 360.0-150.5-109.4-175.1 -18.2 -7.4 111.2 100 103 A E - 0 0 30 -2,-0.1 3,-0.0 1,-0.1 -13,-0.0 -0.992 35.7-103.3-153.4 163.5 -16.4 -4.6 112.9 101 104 A K S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.1 -14,-0.1 0.806 112.3 27.5 -53.2 -28.6 -15.4 -1.0 112.2 102 105 A Y + 0 0 17 -16,-0.4 -14,-1.1 2,-0.0 2,-0.3 -0.995 67.3 155.3-139.1 145.1 -12.0 -2.5 111.7 103 106 A I B -f 88 0B 47 -2,-0.3 2,-0.6 -16,-0.2 -14,-0.2 -0.896 30.9-140.3-169.3 136.2 -10.6 -5.9 110.6 104 107 A V - 0 0 0 -16,-1.9 -12,-0.2 -2,-0.3 3,-0.2 -0.902 14.5-171.9-101.9 118.3 -7.4 -7.3 109.0 105 108 A H S S+ 0 0 132 -2,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.739 72.4 25.5 -82.1 -25.1 -8.2 -9.9 106.5 106 109 A D + 0 0 71 3,-0.1 3,-0.4 1,-0.1 6,-0.3 -0.933 47.9 178.6-147.4 117.9 -4.7 -11.1 105.8 107 110 A L + 0 0 46 -2,-0.4 -1,-0.1 1,-0.2 -14,-0.0 0.206 60.0 106.0-101.8 13.6 -1.7 -11.0 108.0 108 111 A T S S+ 0 0 124 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.906 93.9 29.2 -49.8 -37.7 0.5 -12.7 105.5 109 112 A D S > S- 0 0 56 -3,-0.4 4,-0.6 1,-0.1 3,-0.2 -0.896 76.7-133.7-124.1 154.0 1.8 -9.1 105.2 110 113 A I H > S+ 0 0 20 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.541 90.7 88.5 -81.5 -6.6 2.0 -6.3 107.6 111 114 A R H > S+ 0 0 164 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 90.8 36.1 -57.2 -60.8 0.6 -4.0 104.9 112 115 A E H > S+ 0 0 37 -6,-0.3 4,-2.6 -3,-0.2 5,-0.3 0.865 114.5 60.6 -64.2 -33.4 -3.1 -4.4 105.4 113 116 A F H X S+ 0 0 3 -4,-0.6 4,-1.2 -7,-0.3 -2,-0.2 0.945 109.5 40.3 -57.7 -49.3 -2.4 -4.5 109.2 114 117 A I H X S+ 0 0 33 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.882 111.5 57.9 -68.4 -37.5 -0.9 -1.1 109.1 115 118 A E H X S+ 0 0 118 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.965 109.4 43.4 -55.3 -55.4 -3.5 0.2 106.7 116 119 A V H X S+ 0 0 17 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.769 111.5 57.5 -61.8 -28.3 -6.4 -0.7 109.1 117 120 A L H X S+ 0 0 4 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.943 102.2 50.2 -69.7 -50.1 -4.4 0.7 112.0 118 121 A R H X S+ 0 0 108 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.776 108.8 57.7 -60.3 -24.4 -3.9 4.2 110.6 119 122 A Q H X S+ 0 0 98 -4,-1.1 4,-2.7 -5,-0.2 -1,-0.2 0.974 106.6 43.9 -69.2 -56.2 -7.7 4.2 110.0 120 123 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 6,-0.4 0.842 112.5 54.3 -57.7 -36.7 -8.7 3.5 113.6 121 124 A I H X>S+ 0 0 9 -4,-2.1 5,-1.5 2,-0.2 4,-1.2 0.924 111.9 44.8 -63.6 -44.5 -6.1 6.1 114.8 122 125 A R H ><5S+ 0 0 187 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.983 107.3 56.3 -63.0 -60.3 -7.7 8.7 112.6 123 126 A D H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.733 126.8 19.4 -45.4 -33.8 -11.3 8.0 113.4 124 127 A I H 3<5S- 0 0 17 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.381 101.0-119.7-120.6 2.0 -10.8 8.6 117.1 125 128 A N T <<5 - 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0 0 23 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.522 36.8-116.0 -76.5 145.9 49.8 -43.5 109.8 776 63 D P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.838 115.9 55.9 -51.0 -33.4 51.0 -47.0 110.8 777 64 D V H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.959 110.7 42.0 -63.9 -49.9 54.6 -45.8 110.5 778 65 D Q H > S+ 0 0 68 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.909 113.2 55.4 -62.4 -42.1 54.1 -42.9 113.0 779 66 D V H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-1.0 0.924 108.6 46.3 -57.1 -47.8 52.1 -45.3 115.2 780 67 D R H 3X S+ 0 0 48 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.901 110.0 55.1 -61.7 -39.8 55.0 -47.7 115.4 781 68 D Q H 3< S+ 0 0 107 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.628 109.9 48.6 -67.2 -15.6 57.2 -44.7 116.1 782 69 D N H << S+ 0 0 44 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.842 109.0 48.1 -91.8 -42.0 54.9 -43.9 119.0 783 70 D M H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-1.6 0.867 107.5 57.4 -66.2 -34.4 54.7 -47.4 120.6 784 71 D A G ><5S+ 0 0 48 -4,-2.1 3,-2.6 1,-0.3 -1,-0.2 0.899 95.8 64.8 -62.1 -37.4 58.5 -47.7 120.4 785 72 D Q G 3 5S+ 0 0 106 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.585 103.1 49.2 -62.3 -9.6 58.7 -44.5 122.5 786 73 D F G < 5S- 0 0 36 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.228 129.4 -95.4-112.8 10.7 57.1 -46.5 125.3 787 74 D G T < 5S+ 0 0 62 -3,-2.6 2,-0.7 1,-0.2 -3,-0.2 0.637 90.3 124.8 83.3 15.9 59.4 -49.4 125.1 788 75 D W < + 0 0 11 -5,-2.4 2,-0.7 -6,-0.1 -2,-0.2 -0.847 33.8 177.6-113.1 95.5 57.0 -51.3 122.8 789 76 D D + 0 0 72 -2,-0.7 4,-0.2 -5,-0.1 -8,-0.1 -0.865 7.3 178.1 -99.7 111.0 58.7 -52.4 119.6 790 77 D V > + 0 0 3 -2,-0.7 4,-2.3 1,-0.2 3,-0.3 0.425 56.6 98.3 -91.8 0.5 56.3 -54.4 117.4 791 78 D K H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.944 81.9 49.7 -53.1 -54.3 58.7 -54.8 114.6 792 79 D P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.830 113.5 48.4 -55.9 -33.2 59.8 -58.3 115.6 793 80 D Y H >>S+ 0 0 57 -3,-0.3 5,-2.0 -4,-0.2 6,-1.0 0.863 103.3 56.9 -76.9 -37.0 56.2 -59.4 115.9 794 81 D E H <5S+ 0 0 50 -4,-2.3 -1,-0.2 4,-0.2 -3,-0.1 0.796 109.9 50.6 -62.9 -27.5 55.0 -58.0 112.6 795 82 D E H <5S+ 0 0 169 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.940 108.3 46.7 -77.7 -47.3 57.6 -60.2 111.1 796 83 D K H <5S- 0 0 148 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.551 114.4-118.8 -70.3 -5.2 56.7 -63.4 113.0 797 84 D G T <5S+ 0 0 22 -4,-0.8 44,-0.5 2,-0.2 -3,-0.2 0.652 84.2 121.0 75.5 15.6 53.1 -62.6 111.9 798 85 D M S > S+ 0 0 14 2,-0.1 3,-1.6 -31,-0.1 4,-0.6 0.818 81.4 55.9-105.4 -55.4 44.3 -43.3 107.9 806 93 D T G >4 S+ 0 0 16 1,-0.3 3,-2.2 2,-0.2 6,-0.2 0.891 102.8 56.5 -47.9 -51.7 45.6 -42.3 104.5 807 94 D A G >4 S+ 0 0 30 13,-0.5 3,-0.6 1,-0.3 -1,-0.3 0.722 99.2 63.5 -56.7 -22.8 42.2 -42.7 102.8 808 95 D G G <4 S+ 0 0 31 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.704 116.6 26.2 -76.0 -19.2 40.8 -40.2 105.3 809 96 D I G << S- 0 0 6 -3,-2.2 -1,-0.2 -4,-0.6 2,-0.2 -0.129 130.3 -28.4-136.5 40.9 43.0 -37.4 104.1 810 97 D G < - 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