==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-03 1OC4 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM BERGHEI; . AUTHOR V.J.WINTER,R.L.BRADY . 630 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 9.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 50 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 2 0 1 0 1 0 5 0 1 2 3 0 0 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 PARALLEL BRIDGES PER LADDER . 4 6 0 2 0 0 0 0 0 2 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 2 0 0 0 0 0 0 2 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 18 A A 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.2 5.7 19.0 29.2 2 19 A P - 0 0 118 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.180 360.0-105.9 -54.7 150.7 5.4 20.0 25.5 3 20 A K - 0 0 67 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.581 36.0-105.1 -81.9 143.6 4.9 17.1 23.1 4 21 A A - 0 0 19 23,-0.4 25,-2.6 -2,-0.2 2,-0.6 -0.387 30.5-129.9 -59.6 144.7 7.9 16.1 21.0 5 22 A K E -a 29 0A 57 66,-0.2 68,-2.3 23,-0.2 69,-1.9 -0.910 24.7-165.5-101.9 120.4 7.6 17.1 17.4 6 23 A I E -ab 30 74A 1 23,-3.6 25,-2.6 -2,-0.6 2,-0.6 -0.911 6.1-163.3-115.6 120.4 8.3 14.3 15.0 7 24 A V E -ab 31 75A 1 67,-2.8 69,-2.8 -2,-0.5 2,-1.1 -0.868 6.7-157.8-105.2 114.8 9.0 14.7 11.2 8 25 A L E -ab 32 76A 0 23,-2.8 25,-1.9 -2,-0.6 2,-1.6 -0.780 8.8-159.9 -87.8 96.4 8.7 11.7 8.9 9 26 A V E S+ab 33 77A 1 67,-2.0 69,-2.0 -2,-1.1 70,-1.2 -0.653 76.4 29.2 -80.4 90.0 10.8 12.8 5.9 10 27 A G - 0 0 7 23,-1.9 24,-0.2 -2,-1.6 23,-0.2 0.105 67.1-158.0 122.3 122.6 9.3 10.3 3.5 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.123 50.0 112.3-124.5 39.8 5.7 9.1 3.8 12 29 A G S > S- 0 0 33 66,-0.1 4,-1.3 3,-0.1 5,-0.1 0.561 89.8 -40.9 -80.1-130.2 5.6 5.8 1.9 13 30 A M H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.1 5,-0.1 0.899 140.2 39.5 -70.5 -42.2 5.1 2.3 3.3 14 31 A I H > S+ 0 0 32 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.948 113.0 54.3 -73.1 -50.9 7.3 2.7 6.4 15 32 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.823 105.0 57.1 -51.3 -36.1 6.2 6.3 7.1 16 33 A G H X S+ 0 0 17 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.919 111.2 39.9 -62.7 -45.0 2.6 5.1 7.1 17 35 A V H X S+ 0 0 29 -4,-1.1 4,-2.6 -3,-0.5 5,-0.2 0.892 111.5 58.1 -74.5 -38.5 3.1 2.5 9.8 18 36 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.911 106.1 49.2 -56.2 -42.1 5.4 4.8 11.8 19 37 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.923 110.9 49.8 -65.4 -44.4 2.6 7.4 12.0 20 38 A T H X S+ 0 0 58 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.928 112.7 47.0 -54.1 -52.1 0.0 4.8 13.2 21 39 A L H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.878 107.4 56.6 -62.5 -41.1 2.4 3.6 15.9 22 40 A I H <>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 4,-0.4 0.889 109.3 45.7 -61.3 -38.0 3.3 7.0 17.1 23 41 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 2,-0.2 -2,-0.2 0.969 108.9 55.9 -70.0 -43.5 -0.4 7.8 17.7 24 42 A Q H 3<5S+ 0 0 106 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.870 116.3 37.5 -51.7 -39.8 -0.9 4.4 19.5 25 43 A K T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.371 103.2-131.0 -94.1 2.2 1.9 5.3 21.9 26 44 A N T < 5 + 0 0 44 -3,-2.0 -3,-0.2 -4,-0.4 -4,-0.1 0.857 55.3 151.8 50.0 40.8 1.0 9.0 22.1 27 45 A L < - 0 0 4 -5,-2.0 -23,-0.4 1,-0.2 2,-0.3 0.707 53.5 -48.6 -81.4 -26.0 4.6 9.7 21.5 28 46 A G - 0 0 0 -6,-0.4 -1,-0.2 -25,-0.1 -23,-0.2 -0.954 64.9 -61.7 171.4 172.8 4.5 13.1 19.8 29 47 A D E -a 5 0A 50 -25,-2.6 -23,-3.6 -2,-0.3 2,-0.4 -0.568 54.9-142.4 -74.9 144.8 3.1 15.4 17.2 30 49 A V E -ac 6 60A 3 29,-3.2 31,-2.2 -2,-0.2 2,-0.6 -0.930 21.1-169.3-120.3 131.3 3.6 14.2 13.6 31 50 A V E -ac 7 61A 10 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.9 -0.975 13.7-157.2-108.8 120.3 4.4 15.8 10.3 32 51 A M E -ac 8 62A 0 29,-3.0 31,-2.1 -2,-0.6 2,-0.3 -0.843 22.4-175.4 -97.5 98.2 4.1 13.4 7.4 33 52 A F E +ac 9 63A 9 -25,-1.9 -23,-1.9 -2,-0.9 2,-0.3 -0.678 12.1 147.7 -99.1 147.2 6.3 15.0 4.7 34 53 A D - 0 0 22 29,-1.3 -25,-0.0 -2,-0.3 -2,-0.0 -0.981 50.9-121.0-164.7 169.3 6.8 13.8 1.1 35 54 A I S S+ 0 0 132 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.740 87.6 91.6 -87.0 -28.8 7.5 15.0 -2.5 36 55 A V S S- 0 0 74 1,-0.1 3,-0.0 -3,-0.1 -2,-0.0 -0.578 82.8-122.1 -75.2 123.6 4.3 13.4 -3.8 37 56 A K S S- 0 0 154 -2,-0.4 2,-1.7 1,-0.2 -1,-0.1 -0.289 80.7 -2.8 -65.7 143.1 1.5 15.9 -3.8 38 57 A N S > S+ 0 0 127 1,-0.2 4,-1.7 4,-0.0 3,-0.4 -0.182 104.2 91.8 81.0 -50.3 -1.7 15.2 -1.9 39 58 A M H > S+ 0 0 58 -2,-1.7 4,-2.6 1,-0.2 3,-0.4 0.903 84.6 52.6 -49.6 -54.5 -0.9 11.6 -0.6 40 59 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.854 105.8 52.7 -49.6 -49.1 0.6 12.7 2.7 41 60 A H H > S+ 0 0 93 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.888 111.5 48.4 -58.9 -38.3 -2.3 14.9 3.7 42 61 A G H X S+ 0 0 41 -4,-1.7 4,-2.4 -3,-0.4 5,-0.2 0.949 111.3 46.5 -69.4 -48.7 -4.6 11.9 3.1 43 62 A K H X S+ 0 0 60 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.943 115.4 50.3 -57.2 -41.3 -2.6 9.4 5.1 44 63 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.879 108.6 49.4 -63.8 -42.3 -2.3 12.1 7.8 45 64 A L H X S+ 0 0 108 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.944 113.7 47.5 -61.6 -49.5 -6.1 12.8 7.9 46 65 A D H >X S+ 0 0 116 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.947 113.8 46.5 -53.8 -57.2 -6.8 9.0 8.2 47 66 A T H >< S+ 0 0 13 -4,-2.8 3,-1.3 -5,-0.2 4,-0.2 0.850 102.0 66.8 -58.7 -35.2 -4.2 8.5 10.9 48 67 A S H >< S+ 0 0 30 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.842 91.8 60.9 -57.2 -37.0 -5.4 11.5 12.9 49 68 A H H XX S+ 0 0 106 -4,-1.1 3,-2.0 -3,-0.8 4,-0.6 0.785 85.6 74.9 -64.0 -25.2 -8.7 9.9 13.7 50 69 A T H >S+ 0 0 28 -3,-1.6 5,-2.0 -4,-0.2 4,-0.5 0.848 88.6 50.2 -52.4 -35.8 -6.5 9.5 18.4 52 71 A V H X45S+ 0 0 119 -3,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.948 111.4 44.5 -70.7 -51.4 -10.0 8.6 19.6 53 72 A M H 3<5S+ 0 0 127 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.790 118.7 45.3 -61.1 -31.1 -9.5 4.9 19.6 54 73AA A H 3<5S- 0 0 16 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.411 103.1-123.1 -97.6 0.5 -6.1 5.2 21.2 55 73BA Y T <<5 + 0 0 163 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.1 0.791 68.1 141.0 62.3 26.6 -6.8 7.7 24.0 56 74 A S < - 0 0 17 -5,-2.0 -1,-0.2 -6,-0.3 -33,-0.1 -0.445 51.7-155.5 -99.8 174.4 -4.1 9.8 22.4 57 75 A N + 0 0 105 -2,-0.1 2,-0.5 -34,-0.1 -28,-0.0 -0.347 43.7 133.2-144.5 52.4 -3.6 13.5 21.8 58 76 A C - 0 0 2 -10,-0.1 2,-0.2 -29,-0.1 -29,-0.1 -0.938 48.9-133.5-113.2 127.2 -1.1 13.7 18.8 59 77 A K - 0 0 139 -2,-0.5 -29,-3.2 -8,-0.0 2,-0.4 -0.531 19.1-166.2 -72.5 139.3 -1.6 16.0 15.8 60 78 A V E +c 30 0A 16 -2,-0.2 2,-0.3 -31,-0.2 -12,-0.2 -0.944 16.8 161.5-130.1 112.6 -1.0 14.4 12.5 61 79 A S E -c 31 0A 63 -31,-2.2 -29,-3.0 -2,-0.4 2,-0.1 -0.957 30.3-127.6-129.4 148.4 -0.7 16.6 9.4 62 80 A G E -c 32 0A 9 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.460 26.1-169.5 -87.2 165.9 0.8 16.1 5.9 63 81 A S E -c 33 0A 3 -31,-2.1 -29,-1.3 -2,-0.1 3,-0.1 -0.993 33.5-178.1-155.1 158.4 3.3 18.3 4.3 64 83 A N S S+ 0 0 54 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.174 70.2 87.3-135.0 3.9 5.1 19.1 1.0 65 84 A T > - 0 0 68 1,-0.1 3,-2.5 0, 0.0 4,-0.1 -0.947 66.2-147.4-119.3 126.8 7.3 21.9 2.4 66 85 A Y G > S+ 0 0 37 -2,-0.5 3,-1.6 1,-0.3 4,-0.2 0.606 93.6 81.7 -58.2 -12.0 10.7 21.5 3.9 67 86 A D G > S+ 0 0 111 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.756 75.9 71.3 -66.8 -23.5 9.7 24.5 6.1 68 87 A D G < S+ 0 0 62 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.477 78.5 77.6 -72.1 -2.0 7.8 22.0 8.3 69 88 A L G X + 0 0 4 -3,-1.6 3,-2.1 -4,-0.1 -1,-0.3 0.669 67.9 123.5 -77.6 -16.0 11.1 20.7 9.6 70 89 A K T < S+ 0 0 124 -3,-1.6 46,-0.2 1,-0.3 45,-0.1 -0.164 81.9 0.3 -53.0 132.1 11.4 23.8 11.7 71 90 A D T 3 S+ 0 0 133 44,-1.4 -1,-0.3 1,-0.2 -66,-0.2 0.653 88.2 167.7 64.3 17.4 11.8 23.0 15.4 72 91 A A < - 0 0 6 -3,-2.1 -1,-0.2 1,-0.1 -66,-0.2 -0.390 25.5-168.4 -61.1 137.9 11.7 19.3 14.9 73 92 A D S S+ 0 0 72 -68,-2.3 47,-2.1 1,-0.3 2,-0.4 0.791 79.9 22.0 -93.8 -34.8 12.8 17.2 17.9 74 93 A V E -bd 6 120A 0 -69,-1.9 -67,-2.8 45,-0.2 2,-0.5 -0.999 66.9-168.8-133.1 130.3 13.1 13.9 15.9 75 94 A V E -bd 7 121A 0 45,-2.6 47,-2.3 -2,-0.4 2,-0.5 -0.982 4.4-165.5-120.0 124.8 13.5 13.6 12.1 76 95 A I E -bd 8 122A 0 -69,-2.8 -67,-2.0 -2,-0.5 2,-0.8 -0.931 6.6-155.6-113.7 119.9 13.1 10.2 10.5 77 96 A V E +bd 9 123A 0 45,-2.8 47,-2.6 -2,-0.5 48,-1.5 -0.792 37.1 142.8-103.5 102.9 14.4 9.7 6.9 78 97 A T + 0 0 26 -69,-2.0 -68,-0.2 -2,-0.8 2,-0.2 0.199 32.4 141.3-113.2 10.6 12.8 7.0 4.7 79 98 A A + 0 0 17 -70,-1.2 2,-0.3 -69,-0.1 -69,-0.1 -0.333 42.3 43.8 -59.4 122.5 13.0 9.2 1.6 80 99 A G S S- 0 0 40 -2,-0.2 2,-0.3 45,-0.1 21,-0.1 -0.983 85.9 -38.7 149.2-156.4 14.0 7.2 -1.6 81 100 A F - 0 0 80 19,-0.7 45,-0.3 -2,-0.3 3,-0.1 -0.862 19.3-165.7-113.9 145.5 13.4 4.0 -3.6 82 101 A T S S+ 0 0 63 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.543 80.9 34.9 -79.4 -48.5 12.9 0.4 -2.4 83 102 A K S S- 0 0 123 17,-0.1 -1,-0.1 9,-0.1 17,-0.1 -0.956 74.8-127.1 -98.5 159.2 13.6 -1.2 -6.1 84 103AA A > - 0 0 21 -2,-0.3 3,-1.8 4,-0.1 13,-0.1 -0.882 37.5-106.5-105.8 135.0 15.8 -0.4 -9.0 85 103BA P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.132 102.4 22.5 -51.5 143.5 14.1 -0.0 -12.4 86 103CA G T 3 S+ 0 0 92 1,-0.3 2,-0.3 -3,-0.0 0, 0.0 0.307 99.1 114.9 80.7 -9.4 14.6 -2.9 -14.9 87 103DA K < - 0 0 108 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 -0.687 60.1-132.7 -95.6 147.7 15.5 -5.3 -12.1 88 103EA S > - 0 0 62 -2,-0.3 3,-2.1 -3,-0.1 4,-0.1 -0.582 28.7-105.3 -95.8 160.4 13.4 -8.3 -11.2 89 105AA D G > S+ 0 0 81 1,-0.3 3,-0.5 -2,-0.2 140,-0.1 0.694 120.2 58.7 -52.5 29.1 12.3 -9.4 -7.7 90 105BA K G 3 S+ 0 0 148 1,-0.3 -1,-0.3 138,-0.1 139,-0.0 0.662 106.5 48.9-145.7 -46.7 15.1 -12.3 -7.7 91 106 A E G < S+ 0 0 108 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.206 78.5 142.0 -99.0 15.9 18.0 -9.6 -8.3 92 107 A W < + 0 0 29 -3,-0.5 2,-0.3 -4,-0.1 -3,-0.1 -0.361 19.9 159.3 -68.1 127.8 16.8 -7.6 -5.6 93 108 A N > - 0 0 40 -2,-0.2 3,-0.9 1,-0.1 -9,-0.1 -0.959 45.6-136.5-150.7 132.9 19.8 -6.2 -3.8 94 109 A R G > S+ 0 0 15 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.693 100.8 68.7 -59.8 -24.0 20.1 -3.2 -1.6 95 110 A D G > S+ 0 0 44 1,-0.3 3,-1.6 2,-0.1 2,-0.7 0.933 83.0 69.2 -55.1 -53.8 23.4 -2.3 -3.3 96 111 A D G < S+ 0 0 62 -3,-0.9 4,-0.4 1,-0.3 -1,-0.3 0.264 85.7 79.2 -59.3 20.4 21.7 -1.4 -6.6 97 112 A L G < + 0 0 1 -3,-0.8 -1,-0.3 -2,-0.7 -16,-0.2 0.341 57.4 84.9-114.7 6.7 20.3 1.6 -4.7 98 113 A L S < S+ 0 0 21 -3,-1.6 3,-0.4 3,-0.1 4,-0.3 0.335 89.6 68.0 -56.9 -48.3 23.2 4.1 -4.6 99 114 A P S S+ 0 0 84 0, 0.0 2,-1.0 0, 0.0 3,-0.4 0.928 112.0 21.0 -22.3 -93.9 21.5 4.9 -8.3 100 115 A L S S+ 0 0 49 -4,-0.4 -19,-0.7 1,-0.2 -17,-0.1 -0.675 128.2 42.1 -86.2 70.9 18.2 6.4 -7.1 101 116 A N S > S+ 0 0 0 -2,-1.0 4,-0.8 -3,-0.4 -1,-0.2 0.290 82.2 85.3 178.2 -19.7 18.9 7.6 -3.5 102 117 A N H >> S+ 0 0 25 -3,-0.4 3,-1.2 -4,-0.3 4,-0.8 0.969 92.4 47.7 -64.5 -54.0 22.3 9.2 -3.1 103 118 A K H >> S+ 0 0 148 -4,-0.3 4,-1.8 1,-0.3 3,-0.6 0.850 100.2 68.9 -54.6 -41.7 21.3 12.8 -4.2 104 119 A I H 3> S+ 0 0 25 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.825 95.2 54.9 -49.5 -38.2 18.3 12.8 -1.9 105 120 A M H X S+ 0 0 101 -4,-1.8 4,-1.4 1,-0.2 3,-1.1 0.985 113.8 45.4 -53.1 -65.7 19.1 17.8 -0.4 108 123 A I H 3X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.800 108.0 58.8 -51.9 -37.0 17.6 16.8 2.9 109 124 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.3 0.887 101.9 54.6 -61.9 -39.2 20.8 17.5 4.8 110 125 A G H < + 0 0 5 -4,-1.8 3,-1.1 -5,-0.4 -1,-0.2 -0.525 58.1 158.9-148.4 75.0 16.4 21.8 12.9 117 132AA P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.626 78.5 56.6 -73.4 -15.4 20.1 21.5 13.8 118 132BA N T 3 S+ 0 0 132 -46,-0.1 -5,-0.1 23,-0.1 -2,-0.0 0.387 84.5 113.9 -96.6 2.2 19.3 20.3 17.3 119 133 A A < - 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0 0 62 -2,-0.3 4,-1.8 -3,-0.2 5,-0.2 -0.673 26.0-112.2-105.9 164.2 20.6 -28.3 16.6 210 221 A D H > S+ 0 0 75 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.861 117.7 52.3 -57.3 -36.9 23.5 -26.6 15.0 211 222 A Q H > S+ 0 0 157 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 106.1 49.2 -70.5 -45.6 21.9 -27.2 11.6 212 223 A E H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 111.5 53.4 -62.4 -27.8 18.5 -25.7 12.4 213 225 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.938 107.6 48.8 -68.3 -48.3 20.4 -22.7 13.7 214 226 A D H X S+ 0 0 82 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 110.6 52.1 -57.7 -40.1 22.3 -22.4 10.4 215 227 A A H X S+ 0 0 55 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.952 109.0 49.1 -58.8 -48.9 19.0 -22.7 8.7 216 228 A I H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.885 108.1 55.6 -59.9 -39.2 17.6 -19.8 10.8 217 229 A F H X S+ 0 0 28 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.947 108.1 47.0 -57.7 -52.5 20.8 -17.8 10.0 218 230 A D H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 111.3 51.3 -55.3 -47.9 20.1 -18.1 6.3 219 231 A R H < S+ 0 0 114 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.855 109.0 52.9 -62.2 -31.2 16.5 -17.2 6.7 220 232 A T H >< S+ 0 0 1 -4,-2.0 3,-0.9 2,-0.2 4,-0.3 0.934 110.5 44.1 -69.0 -48.9 17.6 -14.2 8.7 221 233 A I H 3< S+ 0 0 39 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.858 121.5 40.1 -66.3 -33.5 20.0 -12.8 6.1 222 234 A N T 3X S+ 0 0 71 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.286 83.1 105.3-100.5 12.6 17.6 -13.4 3.2 223 235 A T H <> S+ 0 0 2 -3,-0.9 4,-2.5 -4,-0.3 5,-0.2 0.913 78.7 50.9 -61.2 -45.8 14.3 -12.4 4.9 224 236 A A H > S+ 0 0 4 -4,-0.3 4,-3.0 -3,-0.3 -1,-0.2 0.948 113.4 47.4 -56.0 -46.7 13.9 -9.0 3.1 225 237 A L H > S+ 0 0 46 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 110.1 52.0 -59.4 -46.1 14.4 -10.9 -0.2 226 238 A E H X S+ 0 0 63 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.876 115.0 43.1 -58.2 -37.1 11.9 -13.6 0.8 227 239 A I H X>S+ 0 0 56 -4,-2.5 4,-2.6 -5,-0.2 5,-0.8 0.877 109.8 55.3 -77.6 -37.3 9.4 -10.9 1.6 228 240 A V H <5S+ 0 0 8 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 110.1 48.1 -60.0 -38.8 10.2 -8.8 -1.5 229 241 A N H <5S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.695 116.0 43.4 -76.2 -18.3 9.5 -11.9 -3.5 230 242 A L H <5S- 0 0 136 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.760 140.9 -33.6 -97.1 -28.5 6.2 -12.6 -1.7 231 243 A H T <5S- 0 0 130 -4,-2.6 2,-0.3 1,-0.1 -3,-0.2 0.259 99.5 -47.4-155.1 -71.3 4.8 -9.1 -1.6 232 244 A A S + 0 0 58 -3,-0.1 4,-1.6 -222,-0.1 -218,-0.1 0.565 56.6 63.3-137.4 -28.0 7.7 -2.1 6.1 236 248 A V H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.988 111.3 36.5 -66.7 -58.0 5.8 -3.2 9.3 237 249 A A H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 113.9 57.2 -63.7 -41.6 8.8 -4.5 11.3 238 250 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.948 108.7 49.8 -51.1 -45.1 11.1 -1.8 9.9 239 251 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.917 110.0 46.8 -60.0 -50.0 8.6 0.7 11.3 240 252 A A H X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.868 112.1 52.8 -62.6 -38.0 8.4 -0.9 14.8 241 253 A A H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.954 109.6 46.2 -63.2 -52.8 12.1 -1.0 15.0 242 254 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.909 113.8 50.0 -54.9 -45.8 12.7 2.6 14.1 243 255 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.808 103.9 56.6 -67.4 -32.4 10.0 3.6 16.6 244 256 A E H X S+ 0 0 35 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.908 112.5 45.8 -61.3 -37.9 11.5 1.5 19.4 245 257 A M H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.928 113.2 46.7 -70.3 -46.6 14.6 3.6 18.7 246 258 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.919 111.0 53.7 -59.3 -44.5 12.7 6.9 18.6 247 259 A E H X S+ 0 0 43 -4,-2.8 4,-2.7 1,-0.2 6,-0.2 0.851 102.9 56.5 -60.4 -37.2 10.8 6.1 21.8 248 260 A S H <>S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 6,-0.7 0.858 111.8 43.6 -65.8 -34.7 14.1 5.4 23.7 249 261 A Y H <5S+ 0 0 38 -4,-1.3 3,-0.4 -3,-0.3 -2,-0.2 0.935 116.4 44.6 -72.0 -52.2 15.3 8.9 22.8 250 262 A I H <5S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.891 123.2 35.0 -63.3 -41.0 12.0 10.7 23.6 251 263 A R T <5S- 0 0 131 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.415 106.0-124.2 -94.9 0.8 11.3 8.9 26.8 252 264 A D T 5 + 0 0 59 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.954 52.5 158.1 56.5 54.1 15.0 8.7 27.8 253 265 A L < - 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T 0 577D 0 -13,-2.0 -13,-1.9 -2,-0.4 2,-0.3 -0.991 39.0 -98.8-150.2 149.9 14.2 -25.1 44.4 591 288 B G E +ST 495 576D 7 -96,-1.5 -96,-2.7 -2,-0.3 -15,-0.2 -0.514 54.3 142.2 -74.4 131.7 14.5 -21.9 42.4 592 289 B T E - T 0 575D 0 -17,-1.7 -17,-1.5 -2,-0.3 -19,-0.1 -0.980 56.5 -78.9-162.2 154.3 15.5 -22.3 38.7 593 290 B P E + T 0 574D 0 0, 0.0 12,-2.2 0, 0.0 2,-0.3 -0.360 59.0 162.4 -54.8 137.6 14.7 -20.8 35.3 594 291 B L E -UT 604 573D 0 -21,-1.7 -21,-3.0 10,-0.2 2,-0.5 -0.947 37.5-110.3-151.8 169.2 11.4 -22.1 34.0 595 292 B V E -UT 603 572D 0 8,-2.4 7,-2.4 -2,-0.3 8,-0.8 -0.933 22.8-159.7-110.6 124.2 8.8 -21.2 31.4 596 293 B I E +UT 601 571D 0 -25,-2.2 -26,-1.3 -2,-0.5 -25,-0.7 -0.891 29.3 141.0-106.2 117.8 5.3 -20.0 32.4 597 294 B G E > -U 600 0D 0 3,-2.8 3,-2.0 -2,-0.6 -29,-0.1 -0.611 66.4 -63.7-134.6-165.2 2.5 -20.4 29.8 598 295 B G T 3 S+ 0 0 33 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.690 130.2 51.6 -61.5 -23.2 -1.1 -21.2 29.5 599 296 B N T 3 S- 0 0 106 1,-0.4 2,-0.5 -163,-0.0 -1,-0.3 0.457 115.4-116.7 -90.3 -2.4 -0.5 -24.8 30.7 600 297 B G E < S+U 597 0D 0 -3,-2.0 -3,-2.8 -35,-0.1 2,-1.0 -0.888 88.5 16.9 102.0-133.8 1.3 -23.6 33.7 601 298 B V E -U 596 0D 14 -141,-2.7 -5,-0.2 -2,-0.5 3,-0.1 -0.665 68.1-179.9 -76.5 106.7 4.9 -24.6 34.0 602 299 B E E - 0 0 54 -7,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.833 65.0 -3.9 -78.8 -34.1 5.6 -25.6 30.4 603 301 B Q E -U 595 0D 50 -8,-0.8 -8,-2.4 -3,-0.1 2,-0.5 -0.979 58.6-135.8-160.3 144.2 9.3 -26.6 30.9 604 302 B V E -U 594 0D 46 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.915 23.6-146.7-101.2 128.5 11.9 -26.5 33.7 605 303 B I - 0 0 13 -12,-2.2 2,-0.7 -2,-0.5 -2,-0.0 -0.863 5.0-154.9-101.4 117.7 15.3 -25.3 32.6 606 304 B E - 0 0 81 -2,-0.6 2,-0.2 -14,-0.1 -14,-0.1 -0.816 16.0-135.4 -93.2 115.0 18.3 -26.9 34.2 607 305 B L - 0 0 2 -2,-0.7 2,-2.1 1,-0.1 -24,-0.1 -0.504 17.4-124.1 -66.6 133.2 21.3 -24.6 34.2 608 306 B Q - 0 0 60 -2,-0.2 -1,-0.1 -25,-0.0 -2,-0.0 -0.511 42.9-168.2 -78.7 73.8 24.5 -26.4 33.2 609 307 B L - 0 0 33 -2,-2.1 2,-0.1 1,-0.1 -26,-0.0 -0.209 14.7-129.2 -66.5 150.1 26.4 -25.4 36.3 610 308 B N > - 0 0 63 1,-0.0 4,-2.5 4,-0.0 5,-0.2 -0.393 38.9 -89.7 -89.1 175.3 30.1 -25.9 36.9 611 309 B A H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.864 126.7 48.0 -56.0 -42.3 31.6 -27.5 40.0 612 310 B D H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.922 114.3 46.4 -64.2 -46.0 31.8 -24.2 42.0 613 311 B E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.865 109.0 54.6 -67.2 -36.5 28.3 -23.2 41.1 614 312 B K H X S+ 0 0 88 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.898 102.3 58.4 -63.6 -41.9 26.9 -26.7 41.9 615 313 B K H X S+ 0 0 122 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.914 108.5 45.0 -52.2 -49.7 28.5 -26.5 45.4 616 314 B K H X S+ 0 0 98 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.894 109.9 54.8 -64.9 -41.5 26.5 -23.3 46.2 617 315 B F H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.6 0.973 108.0 49.7 -55.4 -54.9 23.3 -24.8 44.7 618 316 B D H 3X S+ 0 0 46 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.806 107.8 54.2 -55.3 -34.7 23.6 -27.8 47.1 619 317 B E H 3X S+ 0 0 72 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.3 0.868 109.6 46.9 -68.8 -36.5 24.1 -25.5 50.1 620 318 B A H < S+ 0 0 50 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.893 98.1 55.6 -61.6 -40.0 11.6 -29.2 56.0 629 327 B A H 3< S+ 0 0 76 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.773 87.9 73.0 -64.3 -27.4 12.6 -31.6 58.8 630 328 B L T 3< 0 0 103 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.348 360.0 360.0 -71.4 13.0 11.5 -29.1 61.4 631 329 B I < 0 0 155 -3,-1.2 -1,-0.2 -213,-0.0 -4,-0.0 -0.385 360.0 360.0 61.5 360.0 8.2 -30.4 59.9