==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-FEB-10 3LUS . COMPND 2 MOLECULE: ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR B.NOCEK,N.MALTSEVA,M.MAKOWSKA-GRZYSKA,W.ANDERSON,A.JOACHIMIA . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 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-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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 0 0 1 1 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 . 0 0 0 0 0 1 1 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 R 0 0 45 0, 0.0 240,-0.1 0, 0.0 239,-0.1 0.000 360.0 360.0 360.0 -32.8 5.1 -0.9 21.4 2 3 A N + 0 0 58 237,-0.1 2,-0.6 243,-0.1 281,-0.2 0.510 360.0 100.0-107.3 -10.0 3.0 -3.2 23.5 3 4 A K - 0 0 162 236,-0.3 2,-1.0 279,-0.1 244,-0.1 -0.731 60.6-146.2 -88.7 126.0 1.8 -1.1 26.4 4 5 A N - 0 0 23 -2,-0.6 235,-0.2 242,-0.2 3,-0.2 -0.810 20.9-169.8 -79.5 104.1 -1.7 0.2 26.2 5 6 A X + 0 0 125 233,-2.7 2,-0.2 -2,-1.0 -1,-0.1 0.636 67.0 5.6 -79.7 -17.7 -0.9 3.4 28.0 6 7 A S S S- 0 0 76 232,-0.4 2,-0.4 -3,-0.1 -1,-0.3 -0.751 80.6-120.3-169.4 119.1 -4.4 4.7 28.6 7 8 A T + 0 0 65 -2,-0.2 230,-0.3 -3,-0.2 3,-0.1 -0.460 28.1 175.5 -76.7 118.8 -7.5 2.8 27.8 8 9 A I S S+ 0 0 66 228,-2.8 2,-0.3 -2,-0.4 229,-0.2 0.828 73.7 13.4 -83.3 -38.6 -9.6 4.5 25.3 9 10 A Y E -A 236 0A 13 227,-1.4 227,-2.2 180,-0.1 2,-0.4 -0.998 65.4-173.0-142.2 139.9 -12.2 1.7 25.0 10 11 A Q E +A 235 0A 123 -2,-0.3 2,-0.3 225,-0.2 225,-0.2 -0.992 8.3 167.7-134.9 141.3 -12.9 -1.4 27.0 11 12 A T E -A 234 0A 12 223,-2.5 223,-2.7 -2,-0.4 2,-0.3 -0.895 13.2-156.0-146.7 168.1 -15.2 -4.4 26.5 12 13 A S E -A 233 0A 22 -2,-0.3 14,-2.7 221,-0.3 15,-0.5 -0.991 4.7-170.4-148.9 154.3 -15.7 -7.8 27.9 13 14 A A E -AB 232 25A 0 219,-2.5 219,-3.2 -2,-0.3 2,-0.4 -0.991 9.9-148.4-144.5 152.1 -17.2 -11.1 26.9 14 15 A T E +AB 231 24A 40 10,-2.5 10,-1.6 -2,-0.3 2,-0.3 -0.971 15.2 172.5-128.0 136.6 -18.1 -14.4 28.6 15 16 A A E +AB 230 23A 2 215,-2.3 215,-2.6 -2,-0.4 8,-0.2 -0.991 7.4 174.0-131.4 147.0 -18.1 -18.0 27.4 16 17 A S S S+ 0 0 39 6,-0.7 212,-3.0 -2,-0.3 3,-0.1 0.552 74.7 50.0-127.7 -9.0 -18.6 -21.1 29.4 17 18 A A S > S- 0 0 39 5,-0.5 3,-2.0 1,-0.4 191,-0.1 -0.094 93.3-137.1-121.7 33.7 -18.8 -24.2 27.1 18 19 A G T 3 S- 0 0 0 210,-0.3 3,-0.4 1,-0.2 -1,-0.4 -0.172 73.0 -7.8 47.0-126.8 -15.6 -23.4 25.1 19 20 A R T 3 S+ 0 0 17 1,-0.2 -1,-0.2 190,-0.1 190,-0.1 0.370 132.7 58.8 -77.9 -1.0 -15.9 -23.8 21.3 20 21 A N S < S+ 0 0 95 -3,-2.0 2,-0.2 15,-0.2 -1,-0.2 -0.335 100.3 34.9-136.1 53.3 -19.4 -25.5 21.5 21 22 A G S S- 0 0 20 -3,-0.4 13,-2.2 11,-0.1 2,-0.2 -0.871 93.4 -37.4-170.1-152.1 -21.9 -23.1 23.2 22 23 A V E - C 0 33A 81 -2,-0.2 -6,-0.7 11,-0.2 -5,-0.5 -0.521 40.7-176.0 -95.2 151.7 -22.8 -19.5 23.5 23 24 A V E +BC 15 32A 1 9,-2.2 9,-3.3 -2,-0.2 2,-0.3 -0.978 11.3 169.5-143.2 137.5 -20.5 -16.5 23.7 24 25 A S E -BC 14 31A 34 -10,-1.6 -10,-2.5 -2,-0.3 7,-0.2 -0.999 38.1-109.7-150.3 146.7 -21.6 -12.9 24.3 25 26 A T E > -B 13 0A 0 5,-2.7 3,-3.2 -2,-0.3 -12,-0.3 -0.556 38.3-119.5 -70.7 144.4 -20.3 -9.4 25.1 26 27 A E T 3 S+ 0 0 112 -14,-2.7 -1,-0.1 1,-0.3 -13,-0.1 0.826 119.4 54.1 -62.1 -24.2 -21.3 -8.5 28.6 27 28 A D T 3 S- 0 0 96 -15,-0.5 -1,-0.3 1,-0.1 -14,-0.1 0.559 109.4-131.1 -77.1 -7.1 -23.2 -5.5 27.0 28 29 A K S < S+ 0 0 144 -3,-3.2 -2,-0.1 2,-0.2 3,-0.1 0.537 71.3 127.0 64.0 7.0 -25.0 -8.1 24.7 29 30 A L S S+ 0 0 72 1,-0.2 2,-0.5 166,-0.1 167,-0.1 0.902 79.4 34.3 -53.2 -39.3 -24.1 -6.1 21.6 30 31 A L S S+ 0 0 9 165,-0.1 -5,-2.7 2,-0.0 2,-0.4 -0.971 70.2 169.7-124.5 120.2 -22.7 -9.3 20.2 31 32 A E E +C 24 0A 122 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.989 13.8 174.5-132.3 122.6 -24.2 -12.7 21.0 32 33 A L E -C 23 0A 22 -9,-3.3 -9,-2.2 -2,-0.4 2,-0.4 -0.950 30.2-135.4-136.1 146.6 -23.1 -15.7 19.1 33 34 A N E -C 22 0A 112 -2,-0.4 14,-1.1 -11,-0.2 2,-0.4 -0.800 27.1-159.8 -91.5 140.1 -23.4 -19.5 18.9 34 35 A L B +g 47 0B 7 -13,-2.2 2,-0.3 -2,-0.4 14,-0.2 -0.948 16.0 165.0-119.0 149.2 -20.2 -21.4 18.4 35 36 A S - 0 0 3 12,-2.5 -15,-0.2 -2,-0.4 11,-0.1 -0.979 42.8 -91.5-150.9 159.0 -19.6 -24.9 17.2 36 37 A Y - 0 0 57 -2,-0.3 8,-2.0 1,-0.1 9,-0.3 -0.422 47.3-115.5 -65.0 140.3 -16.6 -27.0 15.9 37 38 A P > > - 0 0 5 0, 0.0 5,-2.5 0, 0.0 3,-1.8 -0.404 26.5-105.8 -71.2 163.3 -16.1 -26.8 12.2 38 39 A K G > 5S+ 0 0 146 1,-0.3 3,-2.5 3,-0.2 -2,-0.1 0.834 119.1 66.0 -50.8 -41.1 -16.6 -29.9 10.1 39 40 A E G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.683 106.5 43.8 -60.8 -18.6 -12.8 -30.1 9.7 40 41 A X G < 5S- 0 0 56 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.177 129.1 -94.9-109.4 14.4 -12.7 -30.8 13.3 41 42 A G T < 5S+ 0 0 70 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.524 86.8 120.0 87.6 5.9 -15.5 -33.2 13.4 42 43 A G S - 0 0 1 -14,-0.2 4,-2.2 -4,-0.1 5,-0.2 -0.948 36.5 -91.9-152.6 169.0 -15.6 -20.5 16.0 49 50 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.836 121.3 55.3 -63.5 -30.1 -12.6 -18.7 17.6 50 51 A E H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.912 110.1 44.4 -68.4 -41.3 -10.5 -19.0 14.4 51 52 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 111.5 55.0 -65.9 -39.6 -13.1 -17.3 12.2 52 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.887 108.1 48.3 -59.8 -38.7 -13.6 -14.7 14.9 53 54 A F H X S+ 0 0 3 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.928 111.6 50.0 -70.5 -40.0 -9.9 -13.9 14.8 54 55 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.917 114.0 45.1 -59.8 -43.5 -10.1 -13.7 11.0 55 56 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.953 116.7 44.5 -67.8 -47.4 -13.0 -11.4 11.1 56 57 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.900 114.7 47.7 -67.4 -41.1 -11.6 -9.2 13.8 57 58 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.933 112.7 49.1 -66.5 -42.9 -8.1 -9.0 12.2 58 59 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 108,-0.2 0.948 115.6 45.1 -58.2 -44.0 -9.5 -8.2 8.8 59 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.902 114.6 47.6 -69.5 -41.7 -11.7 -5.5 10.4 60 61 A C H X S+ 0 0 6 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.914 113.6 46.8 -67.2 -41.4 -8.8 -4.1 12.5 61 62 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.905 112.1 50.3 -71.3 -38.0 -6.4 -4.0 9.7 62 63 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.942 112.5 47.9 -61.0 -50.3 -9.0 -2.3 7.4 63 64 A N H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.896 110.6 52.8 -51.4 -46.2 -9.6 0.2 10.2 64 65 A A H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.918 107.8 48.9 -60.8 -42.5 -5.9 0.7 10.6 65 66 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 113.2 47.6 -64.3 -43.4 -5.3 1.4 6.8 66 67 A L H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.849 108.6 56.5 -67.4 -34.8 -8.2 4.0 6.8 67 68 A H H X S+ 0 0 50 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.957 111.0 42.0 -56.2 -51.6 -6.7 5.5 10.0 68 69 A V H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.874 111.6 55.8 -69.9 -38.5 -3.4 6.1 8.3 69 70 A A H <>S+ 0 0 2 -4,-2.3 5,-3.0 -5,-0.2 4,-0.5 0.934 107.3 49.0 -58.0 -48.3 -5.0 7.3 5.2 70 71 A R H ><5S+ 0 0 121 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.918 111.2 50.7 -56.8 -42.8 -7.0 10.0 7.1 71 72 A E H 3<5S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.9 46.0 -65.7 -32.3 -3.7 11.1 8.8 72 73 A A T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.391 113.9-119.0 -88.8 1.4 -2.0 11.4 5.4 73 74 A K T < 5 + 0 0 200 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.883 62.8 150.8 60.5 39.4 -5.0 13.3 4.0 74 75 A V < - 0 0 50 -5,-3.0 2,-1.1 -6,-0.2 -1,-0.3 -0.917 45.9-135.4-101.9 121.6 -5.4 10.5 1.4 75 76 A A + 0 0 105 -2,-0.6 2,-0.5 -3,-0.1 -5,-0.0 -0.594 31.8 173.3 -82.1 105.9 -9.1 10.2 0.5 76 77 A L - 0 0 31 -2,-1.1 3,-0.1 1,-0.2 -2,-0.0 -0.940 21.7-165.7-115.2 120.2 -9.8 6.4 0.5 77 78 A K S S- 0 0 191 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.952 75.0 -1.7 -66.3 -45.6 -13.4 5.3 -0.0 78 79 A E - 0 0 90 2,-0.0 28,-0.4 26,-0.0 -1,-0.2 -0.943 48.5-157.7-143.9 158.5 -12.8 1.7 1.1 79 80 A A - 0 0 0 -2,-0.3 87,-0.5 87,-0.3 2,-0.2 -0.649 21.3-164.7-138.4 76.9 -10.0 -0.5 2.3 80 81 A P E -H 165 0C 37 0, 0.0 24,-2.7 0, 0.0 2,-0.4 -0.482 9.1-176.4 -63.1 133.0 -11.0 -4.2 1.7 81 82 A V E -HI 164 103C 0 83,-3.0 83,-3.0 22,-0.2 2,-0.5 -0.997 15.3-157.5-133.4 131.1 -8.9 -6.7 3.6 82 83 A T E -HI 163 102C 33 20,-2.6 20,-2.9 -2,-0.4 2,-0.5 -0.968 11.9-165.1-103.2 123.2 -9.1 -10.5 3.4 83 84 A A E -HI 162 101C 0 79,-3.6 79,-2.3 -2,-0.5 2,-0.5 -0.943 1.8-165.1-110.0 135.2 -7.7 -12.2 6.4 84 85 A T E -HI 161 100C 34 16,-3.0 16,-2.4 -2,-0.5 2,-0.4 -0.983 8.7-170.3-122.3 122.0 -6.9 -16.0 6.2 85 86 A V E -HI 160 99C 0 75,-3.2 75,-2.7 -2,-0.5 2,-0.3 -0.946 4.3-172.6-122.3 131.1 -6.4 -17.8 9.5 86 87 A G E -HI 159 98C 1 12,-2.9 12,-2.3 -2,-0.4 2,-0.4 -0.893 5.0-160.1-117.7 154.7 -5.1 -21.3 10.0 87 88 A I E +HI 158 97C 5 71,-2.3 70,-2.9 -2,-0.3 71,-1.4 -0.989 23.9 136.9-134.8 138.0 -4.8 -23.4 13.1 88 89 A G E - I 0 96C 0 8,-1.7 8,-2.8 -2,-0.4 68,-0.2 -0.961 53.4 -65.3-160.1 178.8 -2.7 -26.5 13.9 89 90 A P E - I 0 95C 49 0, 0.0 65,-2.6 0, 0.0 66,-0.3 -0.386 29.5-147.3 -73.0 146.0 -0.5 -28.0 16.5 90 91 A N - 0 0 1 4,-2.0 62,-0.3 63,-0.2 5,-0.2 0.418 38.1-114.9 -91.8 2.6 2.8 -26.4 17.5 91 92 A G S S+ 0 0 53 3,-0.5 4,-0.1 1,-0.1 59,-0.1 0.591 104.0 79.4 76.6 6.6 4.7 -29.6 18.3 92 93 A Q S S- 0 0 99 2,-0.2 3,-0.1 58,-0.1 -1,-0.1 0.183 121.0 -84.2-123.3 7.8 5.0 -28.8 22.0 93 94 A G S S+ 0 0 59 1,-0.4 2,-0.1 178,-0.0 178,-0.1 0.353 102.8 79.4 106.6 -7.8 1.5 -29.9 23.0 94 95 A G S S- 0 0 3 176,-0.1 -4,-2.0 56,-0.1 -3,-0.5 -0.322 73.4-103.1-114.6-156.3 -0.4 -26.8 22.1 95 96 A F E -I 89 0C 63 176,-1.6 2,-0.3 -6,-0.3 181,-0.2 -0.934 23.5-162.5-140.7 152.7 -1.8 -25.0 19.1 96 97 A A E -I 88 0C 0 -8,-2.8 -8,-1.7 -2,-0.3 2,-0.3 -0.980 13.3-129.7-142.1 151.5 -0.8 -22.0 17.0 97 98 A L E -I 87 0C 1 176,-0.4 2,-0.4 -2,-0.3 -10,-0.2 -0.760 11.2-161.8-103.0 141.9 -2.3 -19.6 14.5 98 99 A S E -I 86 0C 44 -12,-2.3 -12,-2.9 -2,-0.3 2,-0.4 -0.930 15.7-164.5-117.2 144.5 -1.0 -18.7 11.1 99 100 A V E -I 85 0C 8 -2,-0.4 37,-2.7 -14,-0.2 2,-0.4 -0.996 17.6-176.3-138.1 130.6 -2.3 -15.5 9.4 100 101 A A E -Ij 84 136C 40 -16,-2.4 -16,-3.0 -2,-0.4 2,-0.4 -0.972 10.6-164.0-120.7 139.9 -2.3 -14.0 5.9 101 102 A L E -Ij 83 137C 2 35,-2.8 37,-2.4 -2,-0.4 2,-0.6 -0.997 1.7-168.9-123.1 122.3 -3.7 -10.4 5.3 102 103 A A E -Ij 82 138C 25 -20,-2.9 -20,-2.6 -2,-0.4 2,-0.4 -0.973 8.1-166.5-118.1 112.5 -4.5 -9.3 1.7 103 104 A A E -Ij 81 139C 0 35,-3.2 37,-3.1 -2,-0.6 2,-0.5 -0.844 8.1-159.9 -99.5 137.2 -5.2 -5.6 1.3 104 105 A H + 0 0 90 -24,-2.7 2,-0.4 -2,-0.4 35,-0.1 -0.947 19.8 173.0-119.7 108.5 -6.8 -4.1 -1.8 105 106 A I - 0 0 5 -2,-0.5 2,-2.0 -26,-0.1 7,-0.1 -0.965 34.8-135.6-124.4 126.8 -6.2 -0.3 -2.1 106 107 A A S S+ 0 0 99 -2,-0.4 2,-0.3 -28,-0.4 -29,-0.1 -0.416 71.5 100.0 -79.5 66.6 -7.0 2.1 -4.9 107 108 A L S S- 0 0 30 -2,-2.0 -2,-0.1 -31,-0.0 5,-0.1 -0.962 87.2 -76.9-140.0 154.7 -3.7 4.0 -4.9 108 109 A E > - 0 0 105 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.179 55.5-108.7 -41.8 144.1 -0.5 3.8 -6.9 109 110 A D H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.857 113.6 45.7 -57.7 -49.4 1.5 0.8 -5.8 110 111 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 116.2 48.5 -64.9 -37.7 4.4 2.4 -3.9 111 112 A Q H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.3 49.8 -63.8 -46.6 2.0 4.6 -2.2 112 113 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.895 110.9 52.8 -57.7 -38.7 -0.4 1.8 -1.2 113 114 A R H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.902 108.0 47.7 -64.1 -49.6 2.6 -0.1 0.1 114 115 A Q H X S+ 0 0 119 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.945 113.0 49.7 -57.5 -49.4 3.8 2.7 2.3 115 116 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 113.5 44.4 -57.1 -47.8 0.3 3.2 3.7 116 117 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.848 110.3 55.5 -70.9 -34.2 -0.2 -0.5 4.5 117 118 A T H X S+ 0 0 62 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.913 110.3 44.8 -62.4 -44.4 3.2 -0.9 6.0 118 119 A V H >X S+ 0 0 70 -4,-2.1 4,-1.7 1,-0.2 3,-0.6 0.928 110.9 55.6 -65.5 -41.2 2.5 2.0 8.5 119 120 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.900 104.6 52.6 -59.1 -33.3 -0.9 0.4 9.1 120 121 A H H 3< S+ 0 0 30 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.779 108.6 52.0 -73.9 -29.5 0.7 -2.9 10.1 121 122 A Q H << S+ 0 0 104 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.826 117.7 35.8 -75.1 -29.3 2.9 -1.0 12.5 122 123 A V H < S+ 0 0 17 -4,-1.7 122,-2.0 -3,-0.2 -2,-0.2 0.732 87.4 108.0 -99.4 -21.9 0.0 0.7 14.2 123 124 A C X - 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