==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 11-SEP-12 3VX4 . COMPND 2 MOLECULE: PUTATIVE ABC TRANSPORTER, ATP-BINDING PROTEIN COM . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR S.ISHII,T.YANO,A.OKAMOTO,T.MURAKAWA,H.HAYASHI . 479 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 12.5 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 . 6 1.3 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 . 38 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 7 2 2 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 4 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 1 522 A S > 0 0 130 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-109.7 33.6 32.1 -19.3 2 523 A F T 3 + 0 0 184 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.735 360.0 45.6 -74.3 -27.0 31.3 35.1 -18.3 3 524 A L T 3 S+ 0 0 22 75,-0.1 2,-0.8 2,-0.0 -1,-0.2 0.426 75.4 125.4 -97.9 1.3 32.4 35.7 -14.7 4 525 A D < + 0 0 53 -3,-0.7 2,-0.3 62,-0.1 28,-0.1 -0.464 45.2 86.4 -74.1 105.3 36.1 35.6 -15.1 5 526 A G S S- 0 0 5 -2,-0.8 2,-0.3 26,-0.1 28,-0.2 -0.921 75.8 -33.5-168.6-164.3 37.7 38.9 -13.7 6 527 A D - 0 0 68 -2,-0.3 61,-1.5 26,-0.1 62,-0.6 -0.534 49.1-132.0 -77.6 132.3 39.0 40.9 -10.7 7 528 A I E -AB 30 66A 2 23,-2.0 23,-2.2 -2,-0.3 2,-0.4 -0.711 32.9-166.3 -83.6 129.7 37.5 40.3 -7.2 8 529 A S E -AB 29 65A 36 57,-3.8 57,-2.5 -2,-0.4 2,-0.4 -0.932 24.2-171.0-130.4 139.5 36.7 43.6 -5.7 9 530 A F E -AB 28 64A 3 19,-2.6 19,-2.2 -2,-0.4 2,-0.5 -0.991 12.6-174.3-123.7 124.0 35.8 45.1 -2.3 10 531 A E E - B 0 63A 89 53,-2.4 53,-1.8 -2,-0.4 17,-0.2 -0.973 66.3 -34.3-122.0 126.3 34.7 48.7 -2.0 11 532 A N E S+ 0 0 81 -2,-0.5 2,-0.3 14,-0.2 16,-0.2 0.817 90.3 170.2 34.8 51.7 34.1 50.5 1.3 12 533 A L E +A 26 0A 0 14,-2.0 14,-3.0 50,-0.2 2,-0.3 -0.686 18.5 172.0-100.0 147.0 32.7 47.2 2.7 13 534 A S E - B 0 61A 5 48,-2.2 48,-1.6 -2,-0.3 47,-1.6 -0.980 7.0-170.9-145.7 150.9 31.9 46.4 6.3 14 535 A Y E -A 23 0A 20 9,-2.0 9,-2.1 -2,-0.3 8,-1.9 -0.973 6.1-165.2-147.2 157.2 30.2 43.4 7.8 15 536 A K - 0 0 66 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.955 17.1-155.2-150.2 119.9 28.8 42.4 11.2 16 537 A Y S S- 0 0 118 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.797 81.8 -25.5 -66.3 -27.1 27.8 39.0 12.6 17 538 A G S S- 0 0 45 3,-0.3 -1,-0.2 2,-0.0 5,-0.0 -0.972 97.1 -38.4-174.7 168.3 25.4 40.6 15.1 18 539 A F S S+ 0 0 219 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.0 -0.007 100.2 51.2 -39.7 133.3 24.6 43.8 17.0 19 540 A G S S- 0 0 38 353,-0.0 3,-0.1 -4,-0.0 -2,-0.0 -0.900 97.0 -2.2 132.0-162.6 27.7 45.4 18.3 20 541 A R S S- 0 0 198 -2,-0.3 -3,-0.3 1,-0.1 2,-0.3 -0.062 82.0 -89.2 -57.6 161.8 31.0 46.4 16.8 21 542 A D - 0 0 51 1,-0.2 -6,-0.2 -6,-0.1 3,-0.1 -0.551 24.9-157.8 -69.9 135.7 31.8 45.8 13.2 22 543 A T S S+ 0 0 44 -8,-1.9 2,-0.4 1,-0.3 -7,-0.2 0.943 86.3 17.9 -76.0 -52.8 33.4 42.5 12.4 23 544 A L E S+A 14 0A 0 -9,-2.1 -9,-2.0 -3,-0.1 2,-0.3 -0.929 78.3 178.8-114.5 144.3 34.9 43.9 9.1 24 545 A S E + 0 0 14 192,-2.0 194,-0.3 -2,-0.4 -11,-0.2 -0.998 55.1 2.8-150.4 146.2 35.3 47.6 8.3 25 546 A D E S+ 0 0 93 -2,-0.3 2,-0.7 1,-0.2 -14,-0.2 0.758 73.2 178.9 55.9 33.1 36.6 49.9 5.5 26 547 A I E +A 12 0A 1 -14,-3.0 -14,-2.0 -16,-0.2 2,-0.4 -0.534 10.4 163.2 -77.0 113.3 37.5 46.9 3.3 27 548 A N E + 0 0 76 -2,-0.7 2,-0.3 -17,-0.2 -17,-0.2 -1.000 17.1 143.0-126.3 127.5 38.9 48.1 -0.0 28 549 A L E -A 9 0A 16 -19,-2.2 -19,-2.6 -2,-0.4 2,-0.4 -0.961 33.4-154.0-169.0 140.9 40.7 45.5 -2.0 29 550 A S E -A 8 0A 42 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.2 -0.977 3.3-169.1-126.5 139.0 41.4 44.2 -5.4 30 551 A I E -A 7 0A 4 -23,-2.2 -23,-2.0 -2,-0.4 2,-0.1 -0.957 24.6-132.4-125.4 111.7 42.4 40.6 -6.6 31 552 A K > - 0 0 120 -2,-0.4 3,-2.8 -25,-0.2 -25,-0.1 -0.390 31.3 -99.6 -67.8 134.7 43.6 40.2 -10.2 32 553 A K T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.1 -26,-0.1 -0.272 112.5 16.9 -45.6 128.7 42.1 37.4 -12.2 33 554 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.3 130,-0.2 2,-0.1 0.441 95.4 135.0 84.1 -0.7 44.7 34.7 -12.2 34 555 A S < - 0 0 16 -3,-2.8 160,-2.1 157,-0.1 2,-0.6 -0.434 50.6-137.8 -84.5 159.7 46.7 36.0 -9.2 35 556 A K E +d 194 0B 8 158,-0.2 173,-1.9 -2,-0.1 174,-1.2 -0.927 33.4 176.3-116.9 104.3 48.0 33.9 -6.3 36 557 A V E -de 195 209B 2 158,-2.1 160,-3.8 -2,-0.6 2,-0.4 -0.821 25.0-143.1-118.8 149.3 47.4 35.8 -3.0 37 558 A S E -de 196 210B 0 172,-3.0 174,-3.4 -2,-0.3 2,-0.6 -0.908 7.3-159.5-106.0 135.6 47.9 35.2 0.7 38 559 A L E +de 197 211B 2 158,-3.3 160,-1.8 -2,-0.4 2,-0.2 -0.969 28.7 163.5-111.9 116.5 45.5 36.5 3.3 39 560 A V E + e 0 212B 1 172,-3.0 174,-2.5 -2,-0.6 2,-0.2 -0.682 10.3 110.3-129.4-179.4 47.2 36.6 6.8 40 561 A G - 0 0 2 158,-0.3 174,-0.2 172,-0.2 4,-0.1 -0.549 64.7 -36.7 130.5 163.3 46.9 38.1 10.2 41 562 A A S > S- 0 0 23 172,-0.5 3,-2.2 -2,-0.2 5,-0.3 0.074 73.2 -83.3 -49.6 155.4 46.2 37.0 13.8 42 563 A S T 3 S+ 0 0 11 1,-0.3 -1,-0.1 2,-0.1 373,-0.1 -0.372 121.1 17.9 -55.9 140.3 43.7 34.3 14.7 43 564 A G T 3 S+ 0 0 40 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.577 88.0 122.5 70.0 10.3 40.3 36.0 14.8 44 565 A S S < S- 0 0 6 -3,-2.2 172,-2.0 -4,-0.1 170,-0.2 0.716 89.6 -91.4 -78.0 -19.7 41.5 39.0 12.8 45 566 A G S > S+ 0 0 10 -4,-0.3 4,-2.7 170,-0.1 5,-0.2 0.405 83.3 128.7 129.1 -3.6 38.8 38.5 10.1 46 567 A K H > S+ 0 0 12 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 0.905 79.4 42.2 -49.9 -57.3 40.4 36.3 7.3 47 568 A T H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 113.6 51.8 -59.1 -50.3 37.6 33.6 7.1 48 569 A T H > S+ 0 0 11 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.906 111.6 47.9 -55.0 -45.2 34.7 36.2 7.3 49 570 A L H >X S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 4,-1.4 0.982 111.5 50.0 -56.9 -56.2 36.3 38.1 4.5 50 571 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.3 -2,-0.2 0.833 107.2 54.2 -53.4 -37.6 36.8 35.0 2.4 51 572 A K H 3<>S+ 0 0 50 -4,-2.9 5,-2.3 1,-0.2 6,-0.6 0.751 102.4 58.6 -74.6 -19.4 33.1 34.0 3.0 52 573 A L H X<5S+ 0 0 2 -3,-1.5 3,-1.9 -4,-1.1 -1,-0.2 0.879 97.6 60.1 -70.0 -39.1 32.0 37.3 1.7 53 574 A I H 3<5S+ 0 0 4 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.8 45.8 -56.2 -36.5 33.8 36.6 -1.6 54 575 A V T 3<5S- 0 0 13 -4,-1.0 -1,-0.3 1,-0.0 -2,-0.2 0.092 115.6-112.1 -99.9 23.1 31.6 33.6 -2.0 55 576 A N T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.721 75.8 132.6 54.2 29.2 28.2 35.3 -1.1 56 577 A F S S-BC 7 69A 1 3,-1.9 3,-2.3 -2,-0.3 -59,-0.2 -0.998 89.6 -11.0-125.5 130.9 33.7 40.0 -9.4 67 588 A N T 3 S- 0 0 77 -61,-1.5 -60,-0.1 -2,-0.4 3,-0.1 0.823 131.8 -54.7 48.7 36.7 34.5 41.3 -12.9 68 589 A G T 3 S+ 0 0 49 -62,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.271 111.5 120.6 87.8 -9.5 32.6 44.5 -12.1 69 590 A N E < -C 66 0A 68 -3,-2.3 -3,-1.9 -66,-0.1 -1,-0.2 -0.727 67.3-116.4 -97.8 138.2 29.4 42.8 -11.1 70 591 A D E > -C 65 0A 31 -2,-0.4 4,-0.8 -5,-0.2 3,-0.5 -0.374 18.2-139.4 -61.7 139.5 27.7 43.1 -7.8 71 592 A L T >4 S+ 0 0 4 -7,-1.9 3,-0.7 1,-0.2 -1,-0.1 0.884 99.1 62.3 -72.2 -36.8 27.6 39.7 -6.1 72 593 A K T 34 S+ 0 0 101 -8,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.712 108.2 45.7 -58.7 -22.1 24.0 40.2 -4.7 73 594 A V T 34 S+ 0 0 118 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.708 90.4 102.1 -95.2 -25.2 22.9 40.3 -8.4 74 595 A I S << S- 0 0 20 -4,-0.8 5,-0.1 -3,-0.7 2,-0.0 -0.302 86.2 -92.2 -71.8 144.1 24.8 37.3 -9.8 75 596 A D > - 0 0 99 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.299 31.6-139.0 -51.8 124.2 23.1 34.0 -10.6 76 597 A K H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.889 102.3 47.4 -56.5 -40.7 23.6 31.8 -7.5 77 598 A T H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.937 111.4 48.7 -66.7 -48.7 24.3 28.8 -9.6 78 599 A A H > S+ 0 0 27 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.856 110.8 53.3 -60.2 -34.4 26.8 30.5 -11.8 79 600 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.917 106.9 51.2 -66.6 -43.3 28.5 31.9 -8.7 80 601 A R H < S+ 0 0 183 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.858 110.4 48.0 -63.7 -38.7 28.8 28.4 -7.2 81 602 A R H < S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.706 115.6 46.5 -73.2 -20.5 30.5 27.0 -10.4 82 603 A H H < S+ 0 0 11 -4,-1.0 82,-2.1 -3,-0.4 2,-0.4 0.833 114.9 40.9 -91.5 -34.8 32.9 30.0 -10.5 83 604 A I E < -f 164 0B 5 -4,-2.3 2,-0.5 80,-0.2 -1,-0.2 -0.957 62.2-167.9-123.1 135.5 34.0 30.1 -6.9 84 605 A S E -f 165 0B 14 80,-2.5 82,-2.4 -2,-0.4 2,-0.4 -0.974 7.1-159.4-125.4 116.5 34.9 27.3 -4.7 85 606 A Y E -f 166 0B 30 -2,-0.5 82,-0.2 80,-0.2 80,-0.0 -0.817 5.2-154.5-100.3 132.1 35.4 27.8 -1.0 86 607 A L E -f 167 0B 11 80,-2.8 82,-1.4 -2,-0.4 4,-0.1 -0.892 22.3-134.5-104.0 108.5 37.3 25.3 1.2 87 608 A P - 0 0 58 0, 0.0 4,-0.1 0, 0.0 -40,-0.0 -0.256 17.1-118.5 -59.5 143.2 36.1 25.6 4.8 88 609 A Q S S+ 0 0 50 1,-0.1 2,-0.9 2,-0.1 84,-0.1 0.885 109.0 61.5 -46.1 -49.7 38.8 25.7 7.5 89 610 A Q S S- 0 0 89 1,-0.0 -1,-0.1 241,-0.0 81,-0.1 -0.769 101.0-125.6 -84.1 107.9 37.5 22.5 8.9 90 611 A A - 0 0 20 -2,-0.9 2,-0.6 -4,-0.1 60,-0.1 -0.294 23.2-138.0 -56.9 130.8 37.9 20.0 6.1 91 612 A Y + 0 0 119 -4,-0.1 2,-0.4 58,-0.1 -1,-0.1 -0.837 30.4 162.9-103.4 117.9 34.6 18.2 5.2 92 613 A V - 0 0 7 -2,-0.6 2,-0.3 47,-0.0 49,-0.1 -0.976 20.1-155.2-123.1 143.4 34.4 14.5 4.4 93 614 A F - 0 0 43 -2,-0.4 2,-0.4 3,-0.2 45,-0.1 -0.848 34.6 -79.7-120.5 157.8 31.0 12.7 4.5 94 615 A S S S+ 0 0 69 -2,-0.3 2,-0.3 43,-0.1 45,-0.2 -0.358 93.8 68.9 -59.7 111.3 30.0 9.0 5.1 95 616 A G E S-I 138 0C 4 43,-1.1 43,-1.7 -2,-0.4 2,-0.0 -0.950 89.4 -41.9 165.0-172.8 30.7 7.3 1.8 96 617 A S E > -I 137 0C 11 -2,-0.3 4,-2.1 41,-0.2 41,-0.2 -0.293 50.6-113.3 -74.8 163.0 33.5 6.2 -0.5 97 618 A I H > S+ 0 0 1 39,-1.0 4,-0.8 36,-0.2 38,-0.2 0.876 121.9 57.2 -62.7 -34.5 36.5 8.3 -1.3 98 619 A M H >> S+ 0 0 26 36,-2.3 4,-2.1 2,-0.2 3,-0.5 0.897 104.6 50.5 -62.2 -41.5 35.1 8.5 -4.8 99 620 A D H 3> S+ 0 0 77 35,-0.3 4,-0.7 1,-0.2 -2,-0.2 0.943 111.5 48.9 -57.0 -49.1 31.8 9.9 -3.5 100 621 A N H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.593 112.6 49.1 -69.6 -13.1 33.8 12.5 -1.5 101 622 A L H << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.862 111.7 43.1 -93.0 -40.4 35.8 13.4 -4.6 102 623 A V H >< S+ 0 0 56 -4,-2.1 3,-2.3 -5,-0.1 2,-0.4 0.366 77.8 131.4 -93.4 2.8 33.1 13.9 -7.2 103 624 A L T 3< S- 0 0 77 -4,-0.7 57,-0.1 1,-0.3 56,-0.1 -0.433 91.3 -7.3 -57.2 112.3 30.8 15.9 -4.9 104 625 A G T 3 S+ 0 0 59 -2,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.695 97.5 164.2 71.1 19.9 29.8 18.9 -6.9 105 626 A A < - 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0 0 17 -3,-2.5 160,-1.7 157,-0.1 2,-0.5 -0.486 52.1-139.6 -84.0 158.6 58.9 16.2 30.1 276 556 D K E +n 435 0F 8 158,-0.2 173,-2.5 -2,-0.1 174,-0.9 -0.978 31.7 174.9-117.4 114.4 57.6 18.3 27.2 277 557 D V E -no 436 450F 5 158,-2.5 160,-3.7 -2,-0.5 2,-0.4 -0.922 25.7-135.0-131.0 151.6 58.1 16.5 23.8 278 558 D S E -no 437 451F 0 172,-2.1 174,-3.2 -2,-0.3 2,-0.5 -0.818 8.2-160.2-101.0 139.1 57.2 16.9 20.1 279 559 D L E +no 438 452F 2 158,-3.5 160,-2.4 -2,-0.4 2,-0.3 -0.986 28.6 162.8-116.1 119.7 55.9 14.2 17.9 280 560 D V E + o 0 453F 0 172,-2.8 174,-2.4 -2,-0.5 2,-0.2 -0.828 8.5 113.4-134.8 171.8 56.5 15.1 14.3 281 561 D G E - o 0 454F 1 158,-0.4 174,-0.2 -2,-0.3 4,-0.1 -0.686 62.4 -38.3 141.5 163.7 56.6 13.5 10.8 282 562 D A S > S- 0 0 26 172,-0.6 3,-1.8 -2,-0.2 5,-0.3 0.128 70.9 -86.8 -45.9 157.5 54.8 13.5 7.4 283 563 D S T 3 S+ 0 0 13 1,-0.3 -1,-0.1 2,-0.1 -109,-0.1 -0.507 120.3 23.9 -61.8 137.8 51.0 13.7 7.1 284 564 D G T 3 S+ 0 0 43 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.470 85.9 119.0 82.8 1.1 49.8 10.1 7.3 285 565 D S S < S- 0 0 4 -3,-1.8 172,-1.3 -4,-0.1 170,-0.2 0.596 89.7 -96.4 -78.6 -9.9 52.9 8.7 9.2 286 566 D G S > S+ 0 0 7 -4,-0.2 4,-2.2 170,-0.1 5,-0.2 0.710 79.6 133.3 104.1 22.8 51.0 7.6 12.3 287 567 D K H > S+ 0 0 16 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.987 79.8 42.7 -63.3 -61.0 51.3 10.5 14.8 288 568 D T H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.852 113.7 54.0 -54.1 -41.6 47.6 10.6 15.8 289 569 D T H > S+ 0 0 10 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.960 110.8 44.4 -57.1 -54.4 47.5 6.7 15.9 290 570 D L H >X S+ 0 0 2 -4,-2.2 4,-1.4 1,-0.2 3,-0.6 0.922 113.3 52.7 -57.5 -44.8 50.4 6.6 18.3 291 571 D A H >X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 3,-0.6 0.947 107.5 51.0 -53.5 -52.2 48.8 9.4 20.3 292 572 D K H 3<>S+ 0 0 47 -4,-2.9 5,-2.4 1,-0.2 6,-0.7 0.709 103.9 59.5 -63.3 -21.8 45.5 7.5 20.5 293 573 D L H X<5S+ 0 0 2 -4,-1.3 3,-1.8 -3,-0.6 -1,-0.2 0.885 98.1 58.6 -73.0 -37.6 47.4 4.4 21.8 294 574 D I H <<5S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.726 107.4 46.7 -62.2 -22.6 48.8 6.3 24.9 295 575 D V T 3<5S- 0 0 15 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.153 117.4-113.9-111.7 18.3 45.2 7.1 26.0 296 576 D N T < 5S+ 0 0 61 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.678 72.9 136.6 62.4 24.9 44.1 3.5 25.5 297 577 D F S S-LM 248 310E 1 3,-1.8 3,-1.0 -2,-0.3 -59,-0.2 -0.931 90.5 -7.2-139.6 116.0 52.7 4.3 32.3 308 588 D N T 3 S- 0 0 77 -61,-1.9 -60,-0.1 -2,-0.4 3,-0.1 0.784 132.3 -58.2 63.4 30.7 54.7 4.0 35.6 309 589 D G T 3 S+ 0 0 47 -62,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.308 110.8 123.7 85.6 -8.0 55.4 0.4 34.5 310 590 D N E < -M 307 0E 62 -3,-1.0 -3,-1.8 -66,-0.1 2,-0.3 -0.747 66.1-120.4 -93.0 132.7 51.7 -0.5 34.3 311 591 D D E >> -M 306 0E 28 -2,-0.4 3,-1.7 -5,-0.2 4,-0.8 -0.498 14.3-141.2 -61.7 123.3 50.1 -1.9 31.3 312 592 D L T 34 S+ 0 0 4 -7,-2.5 3,-0.3 -2,-0.3 -1,-0.2 0.794 99.3 70.4 -58.1 -28.4 47.3 0.4 30.1 313 593 D K T 34 S+ 0 0 88 -8,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.588 106.8 38.7 -59.3 -8.5 45.3 -2.7 29.2 314 594 D V T <4 S+ 0 0 113 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.615 88.4 104.4-123.2 -25.3 45.0 -3.4 32.9 315 595 D I S < S- 0 0 30 -4,-0.8 2,-0.2 -3,-0.3 5,-0.0 -0.259 86.7 -86.5 -68.6 151.7 44.5 -0.0 34.7 316 596 D D > - 0 0 104 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.437 37.4-136.0 -56.5 122.8 41.1 1.1 36.0 317 597 D K H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 104.1 49.3 -52.5 -42.2 39.5 2.7 32.9 318 598 D T H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 109.8 50.0 -64.8 -45.1 38.3 5.6 35.1 319 599 D A H > S+ 0 0 39 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.883 110.0 51.6 -62.2 -37.9 41.7 6.1 36.6 320 600 D L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 3,-0.2 0.892 107.5 52.4 -66.7 -39.9 43.3 6.2 33.1 321 601 D R H < S+ 0 0 161 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.942 109.9 48.3 -59.4 -47.7 40.8 8.8 31.9 322 602 D R H < S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.696 115.9 45.1 -68.2 -20.6 41.6 11.2 34.8 323 603 D H H < S+ 0 0 2 -4,-1.0 82,-1.8 -3,-0.2 2,-0.5 0.836 115.1 40.2 -93.4 -38.5 45.3 10.8 34.3 324 604 D I E < -p 405 0F 4 -4,-2.4 2,-0.5 80,-0.2 -1,-0.2 -0.953 62.9-168.8-122.0 123.7 45.7 11.1 30.5 325 605 D S E -p 406 0F 18 80,-2.9 82,-3.1 -2,-0.5 2,-0.5 -0.923 5.9-158.8-111.1 124.0 43.8 13.6 28.4 326 606 D Y E -p 407 0F 26 -2,-0.5 82,-0.2 80,-0.2 80,-0.0 -0.865 1.0-160.7-102.0 133.2 43.8 13.4 24.5 327 607 D L E -p 408 0F 17 80,-2.6 82,-2.1 -2,-0.5 4,-0.1 -0.899 20.8-138.1-116.7 102.1 43.0 16.6 22.5 328 608 D P - 0 0 60 0, 0.0 4,-0.1 0, 0.0 -40,-0.0 -0.035 20.9-108.0 -64.3 157.2 42.0 15.6 18.9 329 609 D Q S S+ 0 0 47 1,-0.1 2,-0.6 2,-0.1 84,-0.1 0.792 106.5 65.6 -55.3 -33.8 43.1 17.4 15.7 330 610 D Q S S- 0 0 93 -189,-0.1 2,-0.2 -241,-0.0 -1,-0.1 -0.865 86.9-134.0 -96.1 119.5 39.6 18.8 15.2 331 611 D A - 0 0 22 -2,-0.6 2,-0.6 56,-0.1 60,-0.1 -0.528 21.2-145.8 -68.1 133.4 38.5 21.3 18.0 332 612 D Y + 0 0 128 -2,-0.2 2,-0.4 58,-0.1 -1,-0.1 -0.908 24.3 169.7-111.2 113.3 35.0 20.4 19.1 333 613 D V - 0 0 3 -2,-0.6 49,-2.3 47,-0.1 2,-0.2 -0.971 15.3-162.6-117.8 139.2 32.6 23.1 20.2 334 614 D F - 0 0 37 -2,-0.4 2,-0.5 47,-0.2 45,-0.2 -0.509 36.4 -67.4-112.9-178.0 29.0 22.3 20.7 335 615 D S S S+ 0 0 69 -2,-0.2 2,-0.3 43,-0.1 45,-0.2 -0.580 93.0 58.5 -77.4 119.8 25.8 24.2 21.0 336 616 D G E S-S 379 0G 6 43,-2.2 43,-3.0 -2,-0.5 3,-0.0 -0.954 89.4 -32.6 154.3-172.4 25.7 26.4 24.1 337 617 D S E > -S 378 0G 4 -2,-0.3 4,-2.4 41,-0.2 41,-0.2 -0.239 52.4-115.8 -70.2 162.4 27.6 29.2 26.0 338 618 D I H > S+ 0 0 0 39,-1.4 4,-2.2 36,-0.2 5,-0.2 0.977 121.8 54.6 -57.8 -53.3 31.3 29.6 25.8 339 619 D M H > S+ 0 0 50 36,-2.5 4,-2.2 1,-0.2 3,-0.2 0.905 105.8 52.1 -44.1 -49.5 31.2 28.8 29.5 340 620 D D H > S+ 0 0 79 35,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.952 109.4 48.9 -53.4 -50.6 29.4 25.6 28.7 341 621 D N H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 110.9 51.5 -62.4 -29.0 32.0 24.6 26.2 342 622 D L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.912 111.3 44.0 -75.2 -40.8 34.9 25.3 28.6 343 623 D V H >< S+ 0 0 52 -4,-2.2 3,-2.8 -5,-0.2 -2,-0.2 0.614 77.1 125.9 -87.2 -7.8 33.5 23.3 31.6 344 624 D L T 3< S- 0 0 88 -4,-1.2 56,-0.1 1,-0.3 -3,-0.0 -0.258 91.4 -1.8 -50.1 125.4 32.5 20.1 29.6 345 625 D G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 56,-0.0 3,-0.1 0.544 96.6 159.7 69.9 7.7 34.2 17.2 31.3 346 626 D A < - 0 0 23 -3,-2.8 55,-0.3 1,-0.1 -1,-0.2 -0.325 52.5 -88.6 -64.1 142.5 36.0 19.4 33.8 347 627 D K > - 0 0 84 53,-2.5 3,-1.5 1,-0.1 -1,-0.1 -0.267 52.8-102.8 -46.1 122.4 37.4 18.0 37.0 348 628 D E T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.193 110.3 38.6 -51.9 143.6 34.6 18.1 39.7 349 629 D G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.440 80.0 163.3 90.0 0.7 35.2 21.0 42.1 350 630 D T < - 0 0 40 -3,-1.5 -1,-0.3 -4,-0.1 2,-0.2 -0.272 24.1-149.6 -52.6 130.7 36.4 23.3 39.3 351 631 D S > - 0 0 40 -3,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.610 26.8-107.0-104.3 166.7 36.4 26.9 40.4 352 632 D Q H > S+ 0 0 118 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.863 121.9 53.2 -52.3 -40.8 35.8 30.2 38.7 353 633 D E H > S+ 0 0 137 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.842 104.0 54.3 -69.6 -37.1 39.5 30.8 39.1 354 634 D D H > S+ 0 0 51 2,-0.2 4,-3.1 -3,-0.2 -1,-0.2 0.928 108.3 50.5 -58.8 -47.5 40.5 27.6 37.5 355 635 D I H X S+ 0 0 9 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.939 112.4 45.4 -58.4 -51.5 38.4 28.5 34.5 356 636 D I H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 112.6 52.9 -58.8 -40.7 40.1 31.9 34.2 357 637 D R H X S+ 0 0 126 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.939 107.9 49.3 -62.8 -46.8 43.4 30.3 34.6 358 638 D A H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.874 110.6 50.8 -58.7 -40.5 42.8 27.8 31.8 359 639 D C H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 6,-1.1 0.879 108.3 52.0 -66.4 -38.4 41.7 30.5 29.4 360 640 D E H ><5S+ 0 0 60 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.889 111.0 48.1 -64.1 -38.8 44.9 32.6 30.2 361 641 D I H 3<5S+ 0 0 12 -4,-2.1 66,-0.2 1,-0.2 -2,-0.2 0.889 113.0 46.6 -69.7 -38.0 47.0 29.6 29.5 362 642 D A T 3<5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.421 110.7-126.9 -81.0 3.5 45.1 29.0 26.2 363 643 D E T < 5S+ 0 0 53 -3,-0.7 -3,-0.2 -4,-0.2 4,-0.2 0.855 83.1 109.5 54.4 37.4 45.5 32.7 25.5 364 644 D I >< + 0 0 1 -5,-3.0 4,-2.2 28,-0.2 5,-0.2 0.514 44.6 85.9-117.0 -12.0 41.8 32.9 25.0 365 645 D R H > S+ 0 0 83 -6,-1.1 4,-2.5 1,-0.2 5,-0.2 0.901 89.9 52.7 -56.7 -44.1 40.6 34.9 28.1 366 646 D S H > S+ 0 0 73 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.923 109.7 46.5 -61.8 -47.1 41.3 38.2 26.5 367 647 D D H >> S+ 0 0 43 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.961 113.4 48.9 -62.8 -49.7 39.2 37.4 23.3 368 648 D I H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 6,-0.3 0.922 111.3 48.7 -53.4 -48.3 36.2 36.1 25.3 369 649 D E H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.650 104.7 60.2 -73.8 -13.4 36.2 39.1 27.7 370 650 D Q H << S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.572 86.0 100.3 -84.1 -12.0 36.3 41.4 24.7 371 651 D M S X< S- 0 0 35 -3,-1.5 3,-1.5 -4,-0.6 4,-0.1 -0.579 86.8-119.3 -76.8 139.8 33.0 39.9 23.5 372 652 D P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.781 116.4 25.7 -43.0 -38.5 29.8 41.9 24.3 373 653 D Q T > S- 0 0 132 1,-0.2 3,-2.8 -5,-0.1 4,-0.2 0.301 92.8-167.6-114.3 5.5 28.5 38.9 26.3 374 654 D G G X S+ 0 0 11 -3,-1.5 3,-2.0 -6,-0.3 -36,-0.2 -0.104 72.4 7.3 47.4-123.9 31.9 37.4 27.3 375 655 D Y G 3 S+ 0 0 38 1,-0.3 -36,-2.5 -37,-0.1 -35,-0.3 0.509 129.0 60.4 -72.1 -1.8 31.5 33.9 28.8 376 656 D Q G < S+ 0 0 126 -3,-2.8 -1,-0.3 -38,-0.2 -2,-0.2 0.469 72.1 132.4-100.9 -4.0 27.8 33.8 28.0 377 657 D T < - 0 0 29 -3,-2.0 -39,-1.4 -4,-0.2 2,-0.5 -0.190 59.3-122.0 -50.9 132.3 28.4 34.2 24.3 378 658 D E E -S 337 0G 124 -41,-0.2 2,-0.3 -40,-0.1 -41,-0.2 -0.701 27.9-170.1 -88.3 126.9 26.3 31.6 22.4 379 659 D L E -S 336 0G 1 -43,-3.0 -43,-2.2 -2,-0.5 5,-0.2 -0.835 8.1-149.2-108.0 147.7 28.0 29.2 20.1 380 660 D S B > -T 383 0H 59 3,-1.7 3,-1.6 -2,-0.3 2,-0.2 -0.559 51.4 -56.0-103.8 177.8 26.3 26.8 17.7 381 661 D D T 3 S- 0 0 118 1,-0.3 -47,-0.2 -2,-0.2 -1,-0.1 -0.385 123.3 -16.4 -58.5 118.8 27.5 23.3 16.6 382 662 D G T 3 S+ 0 0 37 -49,-2.3 -1,-0.3 -2,-0.2 2,-0.3 0.460 129.1 72.0 65.1 4.3 31.0 23.9 15.3 383 663 D A B < +T 380 0H 43 -3,-1.6 -3,-1.7 -50,-0.1 -1,-0.1 -0.877 36.7 89.5-144.5 174.0 30.5 27.7 14.9 384 664 D G S S+ 0 0 55 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.005 94.0 36.4 126.0 -26.0 30.2 31.1 16.6 385 665 D I S S- 0 0 24 1,-0.1 -1,-0.3 -3,-0.1 5,-0.1 -0.895 96.7 -70.9-145.1 170.7 33.9 32.1 16.8 386 666 D S > - 0 0 31 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.156 45.4-108.3 -65.2 162.5 37.0 31.8 14.6 387 667 D G H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 27,-0.1 0.897 120.9 47.8 -55.1 -46.2 38.8 28.5 14.0 388 668 D G H > S+ 0 0 3 26,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.801 111.0 51.2 -69.3 -30.7 41.8 29.6 16.2 389 669 D Q H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.909 108.7 51.0 -72.0 -42.2 39.4 30.7 18.9 390 670 D K H X S+ 0 0 42 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.860 109.1 53.8 -58.3 -35.7 37.6 27.4 18.8 391 671 D Q H X S+ 0 0 12 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.963 107.9 46.8 -65.3 -53.1 41.0 25.7 19.1 392 672 D R H X S+ 0 0 10 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.832 109.6 55.3 -59.4 -34.2 42.0 27.7 22.3 393 673 D I H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.925 106.4 50.9 -65.5 -42.6 38.6 26.9 23.8 394 674 D A H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.888 110.8 50.0 -58.4 -39.2 39.3 23.2 23.3 395 675 D L H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.943 107.2 51.6 -67.3 -48.6 42.6 23.7 25.0 396 676 D A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.936 110.3 52.1 -51.9 -47.0 41.2 25.5 28.0 397 677 D R H >< S+ 0 0 26 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.955 107.2 50.4 -54.9 -54.3 38.8 22.6 28.3 398 678 D A H >X>S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.2 5,-0.5 0.889 107.9 55.1 -48.9 -44.8 41.6 20.0 28.2 399 679 D L H ><5S+ 0 0 12 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.843 100.0 61.0 -58.8 -34.5 43.4 22.0 31.0 400 680 D L T <<5S+ 0 0 4 -4,-1.6 -53,-2.5 -3,-0.8 -1,-0.3 0.540 89.3 66.8 -78.9 -5.2 40.4 21.8 33.2 401 681 D T T <45S- 0 0 35 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.735 94.1-149.6 -77.2 -23.1 40.4 18.0 33.3 402 682 D Q T <<5 + 0 0 82 -3,-1.2 -2,-0.1 -4,-0.5 -3,-0.1 0.698 29.3 171.8 60.9 20.2 43.6 18.7 35.2 403 683 D A < - 0 0 1 -5,-0.5 -1,-0.2 1,-0.2 -80,-0.2 -0.410 38.4-134.4 -55.0 128.2 44.9 15.4 33.8 404 684 D P S S+ 0 0 30 0, 0.0 30,-1.7 0, 0.0 2,-0.4 0.658 93.6 55.1 -63.6 -13.7 48.6 15.2 34.7 405 685 D V E -pq 324 434F 2 -82,-1.8 -80,-2.9 28,-0.2 2,-0.5 -0.983 67.9-171.4-123.8 125.6 49.3 14.1 31.1 406 686 D L E -pq 325 435F 0 28,-2.8 30,-1.8 -2,-0.4 2,-0.8 -0.958 7.6-166.8-116.1 116.7 48.2 16.1 28.1 407 687 D I E -pq 326 436F 0 -82,-3.1 -80,-2.6 -2,-0.5 2,-1.0 -0.864 12.0-164.5-100.0 103.1 48.4 14.7 24.5 408 688 D L E -pq 327 437F 0 28,-2.5 30,-2.8 -2,-0.8 2,-1.8 -0.730 5.7-158.7 -94.1 102.3 47.9 17.7 22.2 409 689 D D E S- q 0 438F 1 -82,-2.1 30,-0.1 -2,-1.0 28,-0.1 -0.542 77.8 -38.2 -82.7 84.5 47.2 16.5 18.7 410 690 D A S > S+ 0 0 13 -2,-1.8 3,-1.0 28,-1.2 -1,-0.3 0.975 79.5 174.3 65.6 56.4 48.1 19.6 16.7 411 691 D A T 3 S+ 0 0 14 -3,-0.5 3,-0.1 27,-0.3 -16,-0.1 0.623 71.3 40.0 -73.5 -13.4 46.7 21.9 19.2 412 692 D T T > S+ 0 0 4 -4,-0.1 3,-1.6 1,-0.1 -1,-0.2 0.157 72.0 117.8-123.5 24.3 47.9 25.1 17.5 413 693 D S T < S+ 0 0 15 -3,-1.0 -214,-0.2 1,-0.3 -1,-0.1 0.670 81.4 45.7 -67.9 -18.6 47.3 24.5 13.8 414 694 D S T 3 S+ 0 0 17 -3,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.079 97.1 97.7-108.6 21.2 44.8 27.4 13.4 415 695 D L S < S- 0 0 1 -3,-1.6 -216,-0.1 -373,-0.1 2,-0.1 -0.850 73.0-118.2-114.5 147.6 46.9 29.9 15.3 416 696 D D > - 0 0 5 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.361 39.0-102.8 -69.8 161.6 49.2 32.7 14.2 417 697 D I H > S+ 0 0 47 -180,-0.5 4,-2.5 -218,-0.3 5,-0.1 0.863 117.3 51.0 -55.5 -44.4 52.9 32.4 15.3 418 698 D L H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 112.4 44.3 -66.7 -44.6 52.7 35.1 18.1 419 699 D T H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 114.4 51.9 -62.5 -42.3 49.6 33.6 19.8 420 700 D E H X S+ 0 0 2 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.944 105.0 55.3 -57.6 -49.1 51.2 30.2 19.5 421 701 D K H X S+ 0 0 113 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 110.2 46.0 -51.5 -50.5 54.4 31.4 21.0 422 702 D K H X S+ 0 0 97 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.939 111.9 49.4 -60.6 -51.8 52.5 32.6 24.1 423 703 D I H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.955 111.6 50.1 -54.1 -49.3 50.5 29.4 24.5 424 704 D I H X S+ 0 0 3 -4,-3.3 4,-3.3 2,-0.2 5,-0.2 0.932 110.7 49.3 -57.0 -48.1 53.6 27.3 24.2 425 705 D S H X S+ 0 0 32 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.954 112.6 48.4 -52.2 -52.1 55.4 29.4 26.9 426 706 D N H < S+ 0 0 33 -4,-2.9 3,-0.5 1,-0.2 4,-0.3 0.949 114.8 44.8 -54.1 -50.6 52.4 29.1 29.1 427 707 D L H >< S+ 0 0 2 -4,-3.2 3,-1.5 1,-0.2 -1,-0.2 0.888 109.8 54.1 -63.8 -41.8 52.4 25.3 28.5 428 708 D L H 3< S+ 0 0 46 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.790 100.1 62.9 -63.1 -27.9 56.1 24.8 28.9 429 709 D Q T 3< S+ 0 0 134 -4,-1.8 2,-2.1 -3,-0.5 -1,-0.3 0.557 75.6 97.8 -73.1 -8.1 56.0 26.6 32.4 430 710 D M X + 0 0 24 -3,-1.5 3,-1.3 -4,-0.3 -1,-0.2 -0.531 51.9 175.6 -84.1 75.3 53.7 23.8 33.6 431 711 D T T 3 S+ 0 0 118 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.759 73.5 55.7 -57.6 -28.6 56.5 21.9 35.3 432 712 D E T 3 S+ 0 0 118 -3,-0.2 -1,-0.3 2,-0.0 -158,-0.2 0.864 95.1 87.5 -71.4 -33.0 54.2 19.3 36.8 433 713 D K < - 0 0 12 -3,-1.3 2,-0.5 -6,-0.1 -28,-0.2 -0.198 63.4-147.3 -75.7 154.3 52.7 18.3 33.4 434 714 D T E - q 0 405F 6 -30,-1.7 -28,-2.8 -160,-0.1 2,-0.5 -0.990 25.9-173.8-113.1 118.2 53.7 15.8 30.8 435 715 D I E -nq 276 406F 0 -160,-1.7 -158,-2.5 -2,-0.5 2,-0.7 -0.947 20.2-163.4-124.2 118.5 52.9 17.1 27.3 436 716 D I E -nq 277 407F 2 -30,-1.8 -28,-2.5 -2,-0.5 2,-0.7 -0.878 16.4-160.5 -89.4 115.2 53.1 15.3 24.0 437 717 D F E -nq 278 408F 4 -160,-3.7 -158,-3.5 -2,-0.7 2,-0.6 -0.885 1.4-162.2 -96.2 112.3 52.9 18.0 21.3 438 718 D V E +nq 279 409F 3 -30,-2.8 -28,-1.2 -2,-0.7 2,-0.3 -0.832 31.8 150.0 -93.9 126.3 52.0 16.5 17.9 439 719 D A - 0 0 5 -160,-2.4 -158,-0.4 -2,-0.6 -266,-0.1 -0.997 59.5-156.9-160.9 153.6 52.9 19.0 15.2 440 720 D H S S+ 0 0 20 -2,-0.3 2,-0.6 -268,-0.2 -264,-0.2 0.129 77.2 103.2-105.2 10.3 54.0 20.1 11.7 441 721 D R >> - 0 0 20 1,-0.2 3,-1.6 -266,-0.1 4,-1.5 -0.863 57.6-161.4-107.6 115.5 55.2 23.3 13.2 442 722 D L H 3> S+ 0 0 56 -2,-0.6 4,-3.0 1,-0.3 5,-0.3 0.885 90.7 72.3 -55.0 -41.2 59.0 23.9 13.8 443 723 D S H 34 S+ 0 0 34 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.821 105.8 38.4 -43.5 -35.5 58.0 26.7 16.2 444 724 D I H X> S+ 0 0 5 -3,-1.6 3,-1.1 2,-0.2 4,-0.7 0.906 115.0 48.6 -84.9 -44.7 57.0 23.9 18.5 445 725 D S H 3< S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.3 20,-0.2 0.794 103.9 63.4 -69.6 -26.2 59.7 21.3 17.9 446 726 D Q T 3< S+ 0 0 104 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.756 109.1 39.7 -65.0 -26.7 62.4 23.9 18.4 447 727 D R T <4 S+ 0 0 87 -3,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.480 92.6 96.0-109.8 -5.7 61.4 24.5 22.0 448 728 D T S < S- 0 0 12 -4,-0.7 17,-0.4 -3,-0.4 -171,-0.2 -0.410 78.5-114.5 -84.8 166.0 60.5 21.1 23.4 449 729 D D S S+ 0 0 88 -173,-2.5 2,-0.3 1,-0.2 -172,-0.2 0.907 94.2 3.5 -62.8 -47.9 62.9 18.8 25.4 450 730 D E E -o 277 0F 58 -174,-0.9 -172,-2.1 14,-0.1 2,-0.5 -0.949 67.1-138.2-141.5 157.2 63.1 16.1 22.9 451 731 D V E -oR 278 463F 0 12,-2.1 12,-1.6 -2,-0.3 2,-0.6 -0.974 8.1-159.1-125.3 125.1 61.7 15.5 19.4 452 732 D I E -oR 279 462F 2 -174,-3.2 -172,-2.8 -2,-0.5 2,-0.4 -0.902 13.4-159.9-105.1 121.3 60.2 12.2 18.2 453 733 D V E -oR 280 461F 1 8,-3.4 7,-2.5 -2,-0.6 8,-1.1 -0.849 5.8-166.5-108.2 135.2 60.2 11.7 14.4 454 734 D M E +oR 281 459F 2 -174,-2.4 -172,-0.6 -2,-0.4 2,-0.3 -0.850 10.9 174.6-117.9 150.6 58.0 9.3 12.5 455 735 D D E > S- R 0 458F 52 3,-2.4 3,-2.0 -2,-0.3 -171,-0.0 -0.930 73.7 -12.8-153.3 133.9 58.0 8.0 9.0 456 736 D Q T 3 S- 0 0 146 -2,-0.3 -171,-0.1 1,-0.3 -170,-0.1 0.918 128.4 -53.6 37.7 56.8 55.8 5.4 7.4 457 737 D G T 3 S+ 0 0 4 -172,-1.3 -192,-2.0 1,-0.2 2,-0.3 0.619 117.8 106.1 60.6 17.6 54.6 4.4 10.9 458 738 D K E < S-R 455 0F 92 -3,-2.0 -3,-2.4 -194,-0.2 2,-0.7 -0.925 75.9-116.5-121.0 149.8 58.1 3.9 12.3 459 739 D I E +R 454 0F 39 -194,-0.4 -5,-0.3 -2,-0.3 3,-0.1 -0.784 39.1 169.4 -83.6 120.1 60.1 6.0 14.7 460 740 D V E + 0 0 53 -7,-2.5 2,-0.3 -2,-0.7 -6,-0.2 0.796 57.7 18.0-106.0 -35.1 63.1 7.2 12.6 461 741 D E E +R 453 0F 18 -8,-1.1 -8,-3.4 12,-0.1 -1,-0.3 -0.979 54.1 175.6-140.3 156.7 64.8 9.9 14.8 462 742 D Q E +R 452 0F 67 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.821 34.9 84.7-163.0 111.5 64.7 10.9 18.4 463 743 D G E S-R 451 0F 2 -12,-1.6 -12,-2.1 -2,-0.3 -2,-0.0 -0.955 74.7 -46.6 174.1-177.1 66.8 13.6 20.1 464 744 D T > - 0 0 48 -2,-0.3 4,-2.6 -14,-0.2 5,-0.2 -0.096 54.7-106.4 -66.8 169.5 66.8 17.3 20.8 465 745 D H H > S+ 0 0 31 -17,-0.4 4,-2.0 -20,-0.2 5,-0.2 0.920 122.3 49.4 -60.2 -45.6 66.2 19.9 18.1 466 746 D K H > S+ 0 0 171 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 114.1 45.5 -58.9 -47.2 69.9 20.8 18.1 467 747 D E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.915 111.1 51.0 -63.4 -47.3 70.9 17.2 17.8 468 748 D L H <>S+ 0 0 0 -4,-2.6 5,-0.8 1,-0.2 8,-0.5 0.839 110.0 49.7 -69.1 -34.6 68.4 16.2 15.1 469 749 D L H ><5S+ 0 0 60 -4,-2.0 3,-1.9 -5,-0.2 -1,-0.2 0.947 109.0 53.1 -61.5 -49.5 69.4 19.2 12.9 470 750 D A H 3<5S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.848 100.8 60.5 -54.9 -37.6 73.0 18.1 13.3 471 751 D K T 3<5S- 0 0 120 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.664 93.9-150.3 -62.7 -18.6 72.2 14.6 12.1 472 752 D Q T < 5 + 0 0 127 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.834 56.8 111.7 43.1 45.2 71.0 16.2 8.8 473 753 D G S > S+ 0 0 90 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.969 134.5 45.7 -63.8 -58.1 64.6 13.4 8.4 475 755 D Y H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.877 113.3 52.9 -57.5 -40.1 64.0 16.2 10.9 476 756 D Y H > S+ 0 0 68 -8,-0.5 4,-2.9 2,-0.2 3,-0.4 0.959 114.2 40.1 -56.8 -55.7 66.5 18.3 9.1 477 757 D N H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.2 58.0 -61.6 -39.6 64.9 17.8 5.7 478 758 D L H < S+ 0 0 13 -4,-3.3 -302,-0.3 1,-0.2 -301,-0.3 0.792 127.2 16.1 -63.7 -33.6 61.4 18.1 7.2 479 759 D F H < 0 0 26 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.502 360.0 360.0-118.0 -13.1 62.0 21.6 8.6 480 760 D N < 0 0 130 -4,-2.9 -3,-0.1 -5,-0.4 -4,-0.1 0.319 360.0 360.0 41.7 360.0 65.1 22.3 6.5