==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-12 4F8M . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,S.P.NAM,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 25.6 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 7 A L 0 0 78 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.6 2.5 -0.8 -8.3 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.993 360.0-119.7-142.8 146.1 3.0 -4.2 -6.7 3 9 A K - 0 0 85 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.575 27.4-169.9 -79.5 143.7 4.3 -5.6 -3.5 4 10 A E E -A 62 0A 23 58,-2.7 58,-2.7 -2,-0.3 2,-0.0 -0.948 28.3 -95.2-127.8 157.5 7.3 -8.0 -3.5 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.290 45.1 157.1 -74.1 152.6 8.7 -10.1 -0.7 6 12 A A E -AB 60 21A 11 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.944 26.9-138.4-155.6 166.1 11.6 -9.1 1.6 7 13 A T E - B 0 20A 82 13,-1.5 13,-3.0 -2,-0.3 2,-0.2 -0.968 29.6-102.0-129.1 149.9 12.7 -10.2 5.1 8 14 A L E + B 0 19A 53 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.483 35.7 170.7 -66.9 132.2 13.9 -8.1 7.9 9 15 A I E - 0 0 78 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.756 68.9 -26.5 -99.2 -54.6 17.7 -8.0 8.5 10 16 A K E - B 0 18A 141 8,-1.7 8,-3.0 0, 0.0 -1,-0.3 -0.974 54.7-118.0-162.5 136.7 17.9 -5.2 11.1 11 17 A A E + B 0 17A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.485 32.4 175.1 -63.3 142.1 16.0 -2.1 12.1 12 18 A I E - 0 0 87 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.588 51.9 -43.6-113.3 -70.0 18.2 1.0 11.6 13 19 A D E > S- B 0 16A 20 3,-1.9 3,-0.5 33,-0.1 -1,-0.5 -0.721 76.4 -60.9-147.9-162.0 16.2 4.2 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.842 131.0 19.2 -61.5 -35.4 12.7 5.8 11.7 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.4 20,-0.1 2,-0.4 0.260 114.7 68.1-123.8 11.9 13.0 5.8 8.0 16 22 A T E < +BC 13 29A 12 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.2 -0.998 52.4 174.2-130.6 140.8 15.8 3.3 7.1 17 23 A I E -BC 11 28A 0 11,-1.9 11,-3.2 -2,-0.4 2,-0.6 -0.996 30.0-128.0-143.5 140.9 15.6 -0.5 7.4 18 24 A K E +BC 10 27A 68 -8,-3.0 -9,-2.7 -2,-0.3 -8,-1.7 -0.820 40.8 168.3 -92.7 118.2 18.0 -3.2 6.4 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.5 -2,-0.6 2,-0.6 -0.952 38.4-122.4-125.5 155.1 16.1 -5.8 4.4 20 26 A M E +BC 7 25A 79 -13,-3.0 -13,-1.5 -2,-0.3 2,-0.4 -0.864 34.8 179.9 -94.7 124.0 16.9 -8.8 2.3 21 27 A Y E > -BC 6 24A 20 3,-2.6 3,-2.2 -2,-0.6 -15,-0.1 -0.987 69.3 -8.7-132.3 123.8 15.4 -8.3 -1.2 22 28 A K T 3 S- 0 0 151 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.824 131.8 -56.8 51.0 35.1 15.8 -10.9 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.488 117.0 107.7 87.3 3.6 18.3 -12.6 -1.6 24 30 A Q E < S-C 21 0A 125 -3,-2.2 -3,-2.6 -5,-0.0 2,-0.3 -0.915 71.3-116.8-122.8 137.8 20.6 -9.6 -1.2 25 31 A P E +C 20 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.561 43.8 166.4 -71.3 134.5 21.1 -7.4 1.9 26 32 A M E -C 19 0A 39 -7,-2.5 -7,-2.7 -2,-0.3 2,-0.5 -1.000 37.8-126.3-144.5 147.9 20.1 -3.8 1.2 27 33 A T E -C 18 0A 32 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.823 30.7-155.1 -89.9 123.7 19.4 -0.7 3.2 28 34 A F E -Cd 17 76A 0 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.5 -0.876 6.1-155.7 -97.5 135.8 16.0 0.7 2.2 29 35 A R E -Cd 16 77A 22 47,-3.7 49,-1.4 -2,-0.4 2,-0.2 -0.959 29.6-115.1-105.7 129.5 15.0 4.4 2.6 30 36 A L E > - d 0 78A 2 -15,-2.4 3,-1.0 -2,-0.5 49,-0.2 -0.429 31.7-118.9 -68.4 123.5 11.3 5.0 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.368 84.5 6.1 -60.5 142.1 9.8 6.9 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.1 2,-0.3 0.471 108.8 90.4 69.4 17.0 8.1 10.3 0.6 33 39 A V E < -H 99 0B 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.877 51.4-159.4-137.0 165.4 8.9 10.7 4.3 34 40 A D E -H 98 0B 54 64,-1.7 64,-2.2 -2,-0.3 3,-0.1 -0.914 9.3-168.5-145.4 114.6 11.4 12.1 6.7 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.750 37.7 -95.2 -87.9 158.4 11.8 11.0 10.3 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.288 46.7-101.6 -64.3 146.5 14.0 13.0 12.7 37 43 A E > - 0 0 90 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.358 38.5-102.9 -61.4 156.6 17.6 11.7 13.1 38 50 A F T 3 S+ 0 0 136 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.816 124.0 55.6 -54.4 -29.8 18.1 9.6 16.3 39 51 A N T 3 S+ 0 0 142 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.435 99.2 77.2 -86.0 -0.5 19.8 12.6 17.8 40 52 A E S X S- 0 0 99 -3,-2.4 3,-2.0 1,-0.1 2,-0.0 -0.614 99.5 -73.5-102.9 167.9 16.9 15.0 17.2 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.359 121.6 10.9 -61.5 135.3 13.5 15.4 19.0 42 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.5 -7,-0.1 -1,-0.3 0.384 98.0 114.0 72.8 -2.4 11.2 12.4 18.2 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 -6,-0.2 -29,-0.2 0.956 76.3 44.4 -61.7 -53.0 14.1 10.6 16.6 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.888 114.5 51.3 -60.1 -37.9 14.3 7.9 19.2 45 57 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.878 109.7 48.8 -68.6 -38.3 10.4 7.5 19.1 46 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.915 111.5 49.7 -64.2 -48.0 10.5 7.2 15.3 47 59 A S H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 112.5 46.9 -56.5 -45.2 13.2 4.6 15.4 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.880 110.1 53.9 -66.6 -39.2 11.3 2.6 18.0 49 61 A F H X S+ 0 0 60 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.953 113.7 40.6 -57.9 -54.5 8.0 2.9 16.1 50 62 A T H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.902 114.4 53.6 -57.9 -43.8 9.6 1.5 12.9 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.927 111.2 45.0 -58.4 -55.3 11.6 -1.1 14.7 52 64 A K H X S+ 0 0 140 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.929 113.0 51.8 -52.9 -45.2 8.5 -2.5 16.5 53 65 A M H X S+ 0 0 27 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.920 116.8 37.1 -63.9 -44.0 6.4 -2.4 13.4 54 66 A V H < S+ 0 0 3 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.865 116.6 51.1 -80.6 -29.3 9.0 -4.4 11.3 55 67 A E H < S+ 0 0 99 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.794 111.9 47.8 -76.7 -32.6 10.2 -6.8 14.1 56 68 A N H < S+ 0 0 99 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.648 90.7 107.7 -78.2 -16.7 6.6 -7.8 14.9 57 69 A A < - 0 0 19 -4,-0.6 3,-0.2 -3,-0.3 -49,-0.1 -0.409 53.1-162.3 -71.5 136.4 5.6 -8.4 11.3 58 70 A K S S+ 0 0 191 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.842 85.8 30.9 -76.6 -28.9 5.1 -11.9 10.0 59 71 A K - 0 0 116 -52,-0.1 24,-3.0 2,-0.0 2,-0.4 -0.991 66.6-168.3-140.5 117.0 5.4 -10.6 6.4 60 72 A I E -AE 6 82A 12 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.898 13.1-179.7 -97.9 140.0 7.5 -7.7 5.1 61 73 A E E -AE 5 81A 28 20,-2.1 20,-3.1 -2,-0.4 2,-0.4 -0.979 15.1-149.2-134.4 154.5 7.0 -6.5 1.6 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.7 -2,-0.3 2,-0.4 -0.910 6.1-164.6-119.8 144.1 8.5 -3.8 -0.5 63 75 A E E - E 0 79A 9 16,-2.4 16,-3.2 -2,-0.4 -60,-0.2 -0.932 8.4-153.3-127.1 121.1 6.9 -1.8 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.468 13.8-134.5 -85.9 157.0 8.9 0.2 -5.7 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.185 35.5 -87.2 -93.8-162.4 7.4 3.2 -7.4 66 78 A K S S+ 0 0 162 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.575 104.5 47.3 -83.3 -16.0 7.6 4.1 -11.1 67 79 A G S S- 0 0 33 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.195 105.8 -5.4-107.8-140.4 10.9 6.0 -11.0 68 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.299 46.8-165.2 -68.1 139.8 14.3 5.4 -9.5 69 81 A R S S+ 0 0 118 1,-0.1 8,-2.5 -3,-0.1 2,-0.3 0.559 73.1 37.8-100.4 -13.9 14.7 2.4 -7.3 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.970 75.6-135.4-134.3 146.3 17.9 3.2 -5.6 71 83 A D > - 0 0 22 4,-2.5 3,-2.2 -2,-0.3 -2,-0.1 -0.370 41.3 -86.6 -91.1-174.6 19.3 6.6 -4.4 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.609 128.8 55.4 -69.6 -13.2 22.7 8.1 -4.8 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.324 120.7-106.8 -95.8 6.3 23.8 6.2 -1.6 74 86 A G S < S+ 0 0 53 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.583 73.1 145.2 78.6 7.1 22.8 2.8 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.647 54.1-116.4 -76.4 139.0 19.7 2.7 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.4 -47,-3.7 -2,-0.3 2,-0.6 -0.476 23.3-143.8 -67.4 143.7 16.6 1.1 -2.1 77 89 A L E +d 29 0A 20 -8,-2.5 -12,-0.4 -49,-0.2 2,-0.3 -0.928 43.4 125.6-114.0 113.4 13.7 3.5 -2.4 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.2 -2,-0.6 2,-0.5 -0.980 63.2-102.3-153.8 167.0 10.4 1.9 -1.6 79 91 A Y E -E 63 0A 0 -16,-3.2 -16,-2.4 -2,-0.3 2,-0.5 -0.858 43.1-150.5 -91.5 134.5 7.2 1.8 0.3 80 92 A V E -E 62 0A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.899 8.7-160.3-113.4 133.3 7.6 -0.9 3.0 81 93 A Y E -EG 61 86A 15 -20,-3.1 -20,-2.1 -2,-0.5 2,-0.5 -0.922 8.3-161.3-114.4 142.2 4.6 -2.9 4.3 82 94 A A E > S-EG 60 85A 7 3,-3.0 3,-2.2 -2,-0.4 -22,-0.2 -0.976 84.3 -23.5-122.6 112.1 4.4 -4.9 7.6 83 95 A D T 3 S- 0 0 86 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.907 130.0 -49.8 49.2 44.8 1.6 -7.4 7.5 84 96 A G T 3 S+ 0 0 49 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.310 115.2 115.0 87.0 -10.4 -0.1 -5.3 4.9 85 97 A K E < -G 82 0A 112 -3,-2.2 -3,-3.0 4,-0.0 2,-0.5 -0.837 68.7-122.0 -96.3 130.3 0.2 -1.9 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.551 13.4-157.7 -73.0 124.6 2.4 0.7 5.1 87 99 A V H > S+ 0 0 0 -7,-3.0 4,-2.5 -2,-0.5 5,-0.3 0.915 92.9 56.5 -65.0 -41.4 5.2 1.8 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.933 112.7 41.0 -57.3 -48.7 5.7 5.1 5.5 89 101 A E H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.896 112.1 54.8 -68.2 -42.1 2.0 6.0 6.1 90 102 A A H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.899 107.2 50.4 -61.8 -39.7 1.9 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 6,-0.8 0.938 113.3 46.2 -60.3 -48.5 4.9 7.0 10.6 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.930 109.6 53.7 -61.5 -45.2 3.2 10.0 9.1 93 105 A R H 3<5S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.8 49.9 -61.7 -31.2 -0.2 9.2 10.7 94 106 A Q T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.380 115.6-112.5 -87.8 4.4 1.4 9.1 14.1 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.6 -4,-0.3 -3,-0.2 0.757 88.1 115.6 71.0 26.9 3.2 12.4 13.7 96 108 A L S - 0 0 152 -2,-1.3 3,-2.1 3,-0.4 -3,-0.0 -0.767 33.4-101.2 -92.5 138.4 10.2 13.8 -6.4 104 116 A K T 3 S+ 0 0 206 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.225 107.7 22.5 -54.3 136.9 8.2 13.7 -9.7 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -1,-0.3 1,-0.1 -38,-0.2 0.428 116.4 64.4 80.1 -6.5 7.7 10.1 -10.9 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.372 76.9 93.4-128.4 58.0 8.2 8.4 -7.6 107 119 A N > + 0 0 55 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.036 32.3 132.5-136.5 31.9 5.2 9.9 -5.9 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.889 82.0 39.3 -53.0 -45.7 2.4 7.4 -6.3 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.175 81.2 114.3 -93.5 20.8 1.3 7.5 -2.6 110 122 A E H <> S+ 0 0 38 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.938 77.8 44.4 -58.0 -46.7 1.8 11.2 -2.1 111 123 A Q H > S+ 0 0 127 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.905 110.3 55.1 -73.9 -32.9 -1.9 12.1 -1.5 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 112.6 44.3 -56.8 -46.4 -2.5 9.1 0.8 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 109.9 53.6 -69.5 -37.6 0.4 10.3 3.0 114 126 A R H X S+ 0 0 92 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.886 106.6 53.5 -64.5 -30.7 -0.6 13.9 2.9 115 127 A K H X S+ 0 0 148 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.934 109.8 48.3 -69.8 -37.5 -4.1 12.9 4.1 116 128 A A H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.854 110.4 51.3 -65.7 -42.2 -2.4 11.0 7.0 117 129 A E H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.907 107.1 53.6 -64.4 -37.8 -0.2 14.1 7.8 118 130 A A H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 110.2 47.0 -63.2 -40.1 -3.3 16.3 7.9 119 131 A Q H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.928 111.3 50.3 -71.1 -39.5 -4.9 14.1 10.4 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.890 111.9 50.3 -60.9 -37.2 -1.7 13.8 12.6 121 133 A K H ><5S+ 0 0 86 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.885 108.4 50.3 -66.6 -43.0 -1.6 17.6 12.5 122 134 A K H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 112.7 47.5 -62.6 -38.2 -5.2 18.0 13.6 123 135 A E T 3<5S- 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.532 107.6-132.0 -78.8 -7.6 -4.6 15.6 16.4 124 136 A K T < 5 + 0 0 137 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.848 41.6 179.3 58.9 40.1 -1.4 17.6 17.3 125 137 A L > < - 0 0 43 -5,-2.2 3,-2.7 3,-0.1 -1,-0.2 -0.589 43.4 -54.4 -83.6 133.1 0.6 14.4 17.5 126 138 A N G > S+ 0 0 52 -2,-0.3 3,-2.0 1,-0.3 -30,-0.2 -0.223 135.1 26.9 53.9-105.6 4.3 14.2 18.3 127 139 A I G 3 S+ 0 0 40 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.831 126.4 52.2 -54.9 -31.8 6.1 16.4 15.8 128 140 A W G < 0 0 56 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.269 360.0 360.0 -92.8 4.9 2.9 18.5 15.5 129 141 A S < 0 0 104 -3,-2.0 -4,-0.1 -34,-0.2 -5,-0.1 0.230 360.0 360.0 -87.5 360.0 2.6 19.0 19.2