==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-08 3CWE . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SCAPIN,Y.HAN,B.P.KENNEDY . 285 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 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 . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 0 0 2 0 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 1 1 0 0 1 0 0 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 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 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 1 494 A A > 0 0 139 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -31.6 -2.0 7.6 31.8 2 495 A A T 3> + 0 0 79 1,-0.3 4,-0.9 2,-0.1 3,-0.5 0.760 360.0 68.8 -64.1 -27.9 -2.7 11.3 30.9 3 496 A D H 3> S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.722 79.3 78.2 -66.2 -22.4 -0.2 11.2 28.1 4 497 A K H <> S+ 0 0 153 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.929 97.7 42.0 -55.4 -50.4 -2.2 8.7 25.9 5 498 A L H > S+ 0 0 116 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.872 112.6 55.3 -63.8 -39.6 -4.6 11.5 24.6 6 499 A E H X S+ 0 0 42 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.923 110.0 45.4 -57.2 -50.1 -1.7 13.9 24.2 7 500 A F H X S+ 0 0 17 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.848 109.6 55.5 -63.9 -36.7 0.2 11.4 21.9 8 501 A M H X S+ 0 0 96 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.901 107.9 49.2 -60.4 -39.9 -3.0 10.7 20.1 9 502 A E H X S+ 0 0 101 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 111.9 48.4 -66.1 -41.6 -3.3 14.5 19.3 10 503 A M H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 113.4 46.9 -64.6 -42.6 0.3 14.6 18.1 11 504 A E H X S+ 0 0 79 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.896 111.8 50.8 -67.1 -40.4 -0.2 11.6 15.9 12 505 A K H X S+ 0 0 116 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 110.4 49.2 -60.0 -48.7 -3.5 13.0 14.5 13 506 A E H X S+ 0 0 100 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.915 111.2 50.0 -56.8 -47.5 -1.8 16.3 13.7 14 507 A F H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.936 111.9 47.8 -56.8 -48.2 1.1 14.4 12.0 15 508 A E H X S+ 0 0 111 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.868 108.4 54.8 -63.7 -35.7 -1.4 12.4 9.9 16 509 A Q H X S+ 0 0 108 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 109.4 47.3 -64.1 -41.5 -3.4 15.5 9.0 17 510 A I H X>S+ 0 0 19 -4,-2.2 5,-2.3 2,-0.2 4,-0.8 0.914 113.9 48.1 -66.6 -41.8 -0.2 17.1 7.6 18 511 A D H ><5S+ 0 0 50 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.938 112.0 48.9 -59.9 -48.6 0.7 13.9 5.7 19 512 A K H 3<5S+ 0 0 181 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.903 115.3 43.1 -61.7 -43.3 -2.8 13.6 4.3 20 513 A S H 3<5S- 0 0 75 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.578 106.1-127.4 -77.5 -11.9 -2.9 17.2 3.1 21 514 A G T <<5 + 0 0 60 -4,-0.8 3,-0.3 -3,-0.7 4,-0.3 0.881 61.0 143.9 64.3 41.9 0.7 17.0 1.8 22 515 A S >< + 0 0 40 -5,-2.3 4,-2.4 1,-0.2 5,-0.2 0.365 28.8 100.8 -97.7 2.9 1.6 20.1 3.8 23 516 A W H > S+ 0 0 14 -6,-0.4 4,-2.8 1,-0.2 5,-0.2 0.913 85.1 47.9 -56.9 -44.7 5.1 19.4 4.9 24 517 A A H > S+ 0 0 53 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.883 110.5 51.9 -66.0 -37.7 6.7 21.6 2.3 25 518 A A H > S+ 0 0 57 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.925 112.7 45.0 -62.5 -43.5 4.4 24.5 3.1 26 519 A I H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 113.3 51.2 -65.8 -43.0 5.3 24.2 6.8 27 520 A Y H X S+ 0 0 10 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.927 109.7 49.4 -60.5 -44.3 9.0 23.9 6.0 28 521 A Q H X S+ 0 0 91 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.880 106.7 55.7 -64.8 -34.3 8.8 27.0 3.7 29 522 A D H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.931 107.8 49.9 -58.5 -44.2 7.0 29.0 6.5 30 523 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.950 111.6 47.3 -61.1 -46.0 10.0 28.1 8.8 31 524 A R H < S+ 0 0 124 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.931 113.8 48.2 -59.5 -45.1 12.4 29.3 6.1 32 525 A H H < S+ 0 0 158 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.879 117.0 41.9 -61.0 -39.4 10.4 32.5 5.6 33 526 A E H < S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.598 89.5 118.5 -87.2 -12.7 10.2 33.1 9.4 34 527 A A S < S- 0 0 23 -4,-1.6 224,-0.1 -3,-0.3 220,-0.1 -0.199 71.1 -98.9 -61.8 144.7 13.8 32.2 10.2 35 528 A S - 0 0 38 219,-0.3 2,-0.4 225,-0.1 -1,-0.1 -0.180 27.0-154.6 -54.6 149.2 16.2 34.7 11.7 36 529 A D + 0 0 148 225,-0.1 222,-0.1 222,-0.0 -1,-0.0 -0.963 23.8 165.1-131.6 109.5 18.7 36.5 9.5 37 530 A F - 0 0 80 -2,-0.4 224,-0.1 1,-0.0 222,-0.0 -0.903 41.0 -88.4-122.7 156.9 21.8 37.7 11.3 38 531 A P - 0 0 56 0, 0.0 22,-2.9 0, 0.0 23,-0.4 -0.295 24.2-169.3 -67.3 149.2 25.2 38.9 10.0 39 532 A C > + 0 0 17 20,-0.3 4,-1.3 21,-0.1 20,-0.1 -0.431 32.3 146.7-126.4 50.8 28.0 36.5 9.2 40 533 A R T 4 + 0 0 176 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.882 69.9 49.2 -61.3 -38.9 30.7 39.2 8.7 41 534 A V T >4 S+ 0 0 30 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.958 108.6 53.2 -69.1 -44.1 33.5 37.2 10.1 42 535 A A T 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 109.0 52.1 -55.3 -30.8 32.7 34.2 8.0 43 536 A K T 3< S+ 0 0 107 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.448 77.9 119.2 -92.0 -4.4 32.7 36.4 4.9 44 537 A L S X S- 0 0 66 -3,-1.7 3,-2.1 -4,-0.5 4,-0.4 -0.402 73.6-122.0 -60.5 137.0 36.2 38.0 5.5 45 538 A P G > S+ 0 0 117 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.857 111.5 59.8 -48.6 -39.6 38.5 37.2 2.6 46 539 A K G 3 S+ 0 0 127 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.688 106.6 49.2 -65.2 -17.1 41.0 35.5 4.9 47 540 A N G X S+ 0 0 0 -3,-2.1 3,-2.2 -6,-0.2 4,-0.4 0.431 78.4 99.9-100.6 -1.1 38.3 33.1 5.9 48 541 A K G X S+ 0 0 139 -3,-1.6 3,-1.3 -4,-0.4 -1,-0.1 0.887 83.8 49.8 -55.4 -41.1 37.1 32.0 2.5 49 542 A N G 3 S+ 0 0 104 -4,-0.4 -1,-0.3 1,-0.3 48,-0.2 0.439 100.8 66.1 -81.9 4.2 39.1 28.8 2.5 50 543 A R G < S+ 0 0 25 -3,-2.2 25,-0.5 -8,-0.2 2,-0.5 0.413 89.5 78.0 -99.8 -3.4 37.7 27.9 6.0 51 544 A N < - 0 0 20 -3,-1.3 3,-0.1 -4,-0.4 6,-0.1 -0.934 61.2-160.1-110.0 130.2 34.2 27.5 4.6 52 545 A R S S+ 0 0 33 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.910 86.5 29.6 -68.8 -40.5 33.1 24.5 2.8 53 546 A Y > - 0 0 87 3,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.979 68.0-144.8-127.2 128.3 30.1 26.3 1.2 54 547 A R T 3 S+ 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.837 103.8 50.2 -53.1 -35.5 29.9 30.0 0.4 55 548 A D T 3 S+ 0 0 137 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.342 97.4 72.1 -95.1 4.9 26.3 30.0 1.3 56 549 A V < + 0 0 17 -3,-1.6 -3,-0.4 2,-0.0 -4,-0.1 -0.944 62.6 153.0-123.2 110.5 26.5 28.3 4.7 57 550 A S - 0 0 3 -2,-0.5 204,-0.6 -6,-0.1 2,-0.3 -0.956 43.5-112.2-135.5 151.1 28.0 30.5 7.4 58 551 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 202,-0.1 -0.646 39.1-111.2 -79.4 140.5 27.9 30.9 11.2 59 552 A F >> - 0 0 2 200,-0.4 4,-0.9 -2,-0.3 3,-0.6 -0.415 22.6-125.4 -61.2 144.5 26.2 34.0 12.5 60 553 A D G >4 S+ 0 0 38 -22,-2.9 3,-0.6 1,-0.2 -1,-0.1 0.891 106.5 57.9 -57.7 -39.1 28.7 36.3 14.2 61 554 A H G 34 S+ 0 0 105 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.777 118.7 27.4 -70.5 -23.0 26.7 36.4 17.4 62 555 A S G <4 S+ 0 0 11 -3,-0.6 16,-3.0 197,-0.1 -1,-0.2 0.309 88.0 128.0-121.2 5.1 26.8 32.7 18.0 63 556 A R E << -A 77 0A 32 -4,-0.9 2,-0.5 -3,-0.6 14,-0.3 -0.290 60.6-119.3 -66.7 149.4 30.0 31.6 16.3 64 557 A I E - 0 0 7 12,-2.0 10,-0.6 10,-0.3 2,-0.5 -0.773 28.1-145.6 -83.5 131.0 32.5 29.5 18.2 65 558 A K E -A 73 0A 115 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.845 7.4-131.8 -99.2 133.5 35.9 31.3 18.4 66 559 A L - 0 0 4 6,-2.8 2,-2.5 -2,-0.5 39,-0.1 -0.564 29.3-114.6 -72.2 145.4 39.2 29.4 18.3 67 560 A H S S+ 0 0 130 -2,-0.2 2,-0.4 37,-0.1 -1,-0.1 -0.442 75.7 126.5 -85.2 68.2 41.4 30.6 21.1 68 561 A Q - 0 0 50 -2,-2.5 4,-0.1 1,-0.1 -2,-0.1 -0.971 54.6-160.2-125.3 140.2 43.9 32.0 18.6 69 562 A E S S+ 0 0 204 -2,-0.4 3,-0.2 2,-0.1 -1,-0.1 0.845 96.4 56.2 -79.2 -36.1 45.3 35.4 18.3 70 563 A D S S- 0 0 131 1,-0.2 2,-0.4 2,-0.0 -2,-0.0 0.988 131.3 -18.9 -59.9 -73.8 46.1 34.6 14.6 71 564 A N - 0 0 11 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.937 53.9-171.7-144.2 117.1 42.7 33.7 13.3 72 565 A D + 0 0 42 -2,-0.4 -6,-2.8 -3,-0.2 2,-0.4 0.322 47.0 124.2 -88.8 9.2 39.9 32.7 15.6 73 566 A Y E +A 65 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.566 21.9 152.2 -89.0 128.6 37.5 31.6 12.8 74 567 A I E - 0 0 6 -10,-0.6 2,-1.9 -2,-0.4 -10,-0.3 -0.988 51.0-114.4-138.7 145.4 35.9 28.2 12.4 75 568 A N E S+ 0 0 0 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.625 76.9 115.0 -78.7 85.2 32.6 27.5 10.6 76 569 A A E - B 0 91A 0 -2,-1.9 -12,-2.0 15,-0.2 2,-0.4 -0.976 46.9-156.9-155.8 145.7 30.8 26.4 13.8 77 570 A S E -AB 63 90A 0 13,-2.5 13,-2.5 -2,-0.3 2,-0.7 -0.971 16.8-130.8-131.4 143.2 27.9 27.8 15.9 78 571 A L E - B 0 89A 48 -16,-3.0 2,-0.7 -2,-0.4 11,-0.2 -0.848 18.9-162.8 -94.9 118.3 26.8 27.4 19.5 79 572 A I E - B 0 88A 0 9,-3.3 9,-2.4 -2,-0.7 2,-0.6 -0.913 8.1-170.5 -99.6 114.4 23.1 26.5 19.8 80 573 A K E - B 0 87A 125 -2,-0.7 2,-1.0 7,-0.2 7,-0.2 -0.929 6.8-165.2-114.5 105.9 22.0 27.2 23.3 81 574 A M E >> - B 0 86A 10 5,-2.9 5,-1.7 -2,-0.6 4,-1.1 -0.806 5.3-173.7 -96.3 99.8 18.6 25.9 24.1 82 575 A E T 45S+ 0 0 160 -2,-1.0 3,-0.2 2,-0.2 -1,-0.2 0.917 79.4 43.7 -65.6 -47.4 17.6 27.7 27.3 83 576 A E T 45S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.936 119.2 42.8 -64.2 -46.8 14.4 25.9 28.1 84 577 A A T 45S- 0 0 12 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.639 103.8-134.8 -69.6 -16.9 15.7 22.4 27.3 85 578 A Q T <5 + 0 0 151 -4,-1.1 2,-0.4 -3,-0.2 -3,-0.2 0.904 62.2 122.9 57.1 46.3 18.9 23.3 29.2 86 579 A R E < -B 81 0A 41 -5,-1.7 -5,-2.9 122,-0.0 2,-0.3 -1.000 43.2-163.1-135.4 143.4 21.1 21.9 26.4 87 580 A S E -B 80 0A 37 -2,-0.4 127,-0.7 -7,-0.2 2,-0.3 -0.925 7.9-177.4-119.7 146.9 23.8 23.3 24.2 88 581 A Y E -Bc 79 214A 0 -9,-2.4 -9,-3.3 -2,-0.3 2,-0.6 -0.987 22.0-139.7-135.9 148.5 25.3 21.9 21.0 89 582 A I E -Bc 78 215A 0 125,-3.0 127,-3.6 -2,-0.3 2,-0.5 -0.957 21.3-164.2-102.4 122.0 28.1 23.1 18.7 90 583 A L E +Bc 77 216A 0 -13,-2.5 -13,-2.5 -2,-0.6 2,-0.3 -0.933 18.6 163.9-105.7 132.1 27.0 22.6 15.0 91 584 A T E -Bc 76 217A 2 125,-2.4 127,-0.8 -2,-0.5 -15,-0.2 -0.931 37.3-101.1-143.7 161.9 29.8 22.7 12.5 92 585 A Q - 0 0 5 -17,-1.6 128,-0.2 -2,-0.3 127,-0.2 -0.364 55.3 -83.1 -74.0 163.7 30.6 21.8 8.9 93 586 A G - 0 0 0 126,-2.2 -1,-0.1 30,-0.3 -41,-0.1 -0.529 63.3 -97.3 -63.8 130.5 32.5 18.7 8.1 94 587 A P - 0 0 2 0, 0.0 31,-3.1 0, 0.0 -1,-0.1 -0.152 35.1-136.0 -52.6 146.6 36.1 19.6 8.5 95 588 A L >> - 0 0 21 29,-0.2 3,-1.8 -45,-0.1 4,-0.7 -0.536 32.7 -97.2 -92.6 165.2 38.1 20.6 5.4 96 589 A P T 34 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.835 128.1 41.8 -50.6 -34.0 41.6 19.3 4.6 97 590 A N T 34 S+ 0 0 69 -48,-0.2 4,-0.2 1,-0.2 -48,-0.0 0.410 113.1 52.5 -94.5 -2.0 42.9 22.6 6.1 98 591 A T T <> S+ 0 0 4 -3,-1.8 4,-2.4 2,-0.1 -1,-0.2 0.291 72.7 98.3-121.0 12.7 40.6 22.9 9.1 99 592 A C H X S+ 0 0 12 -4,-0.7 4,-2.1 -3,-0.3 5,-0.2 0.896 88.0 49.8 -65.6 -38.4 41.0 19.5 10.8 100 593 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.2 49.4 -63.2 -42.8 43.4 21.0 13.3 101 594 A H H > S+ 0 0 12 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 108.2 54.3 -60.5 -42.1 40.9 23.8 13.9 102 595 A F H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.941 112.3 41.8 -58.1 -50.7 38.1 21.3 14.5 103 596 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.847 111.1 56.7 -71.0 -31.7 40.1 19.4 17.1 104 597 A E H X S+ 0 0 13 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.912 108.1 48.8 -59.4 -44.3 41.2 22.6 18.7 105 598 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.3 0.944 109.9 50.7 -61.2 -47.4 37.6 23.5 19.0 106 599 A V H X>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 4,-0.5 0.932 115.3 44.5 -55.6 -43.9 36.8 20.2 20.6 107 600 A W H ><5S+ 0 0 24 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.970 115.9 43.8 -64.5 -54.8 39.7 20.7 23.0 108 601 A E H 3<5S+ 0 0 36 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 114.6 49.1 -63.7 -34.3 38.9 24.3 23.9 109 602 A Q H 3<5S- 0 0 44 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.509 106.3-128.5 -84.9 -5.5 35.2 23.8 24.3 110 603 A K T <<5 + 0 0 130 -3,-1.3 102,-2.6 -4,-0.5 -3,-0.2 0.768 42.7 175.7 63.5 29.1 35.8 20.7 26.5 111 604 A S B < -i 212 0B 3 -5,-1.5 -1,-0.2 -6,-0.3 103,-0.1 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0.929 111.7 48.3 -62.0 -46.3 17.5 17.4 12.4 228 725 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.950 115.6 42.6 -59.1 -50.8 19.5 15.6 15.0 229 726 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.887 112.3 53.3 -69.9 -38.0 19.7 18.5 17.5 230 727 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.941 110.0 48.1 -60.2 -46.9 16.0 19.5 16.9 231 728 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.9 48.2 -61.2 -46.6 14.9 15.9 17.7 232 729 A D H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.930 114.3 45.8 -58.5 -47.1 17.0 15.8 20.9 233 730 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.923 112.3 50.0 -64.5 -45.3 15.8 19.1 22.1 234 731 A C H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.883 109.8 51.7 -62.9 -36.9 12.2 18.4 21.4 235 732 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.919 109.4 50.2 -65.3 -42.8 12.4 15.1 23.2 236 733 A L H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.923 111.6 48.6 -55.8 -46.0 14.0 16.9 26.2 237 734 A L H X S+ 0 0 5 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.885 107.4 53.8 -66.5 -37.6 11.1 19.4 26.2 238 735 A M H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 112.4 45.0 -67.9 -29.4 8.4 16.7 26.0 239 736 A D H < S+ 0 0 106 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.874 117.1 45.7 -75.5 -39.0 9.9 15.1 29.1 240 737 A K H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.914 99.9 77.2 -72.9 -47.4 10.2 18.4 30.9 241 738 A R S < S- 0 0 57 -4,-3.0 6,-0.0 -5,-0.1 4,-0.0 -0.259 79.4-128.4 -68.4 149.9 6.8 19.9 30.1 242 739 A K S S+ 0 0 205 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.939 104.3 38.0 -57.1 -49.2 3.6 18.9 31.9 243 740 A D > - 0 0 50 1,-0.1 3,-1.8 -237,-0.0 -1,-0.2 -0.913 69.4-161.8-111.6 111.7 1.9 18.3 28.5 244 741 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.817 90.7 64.5 -62.7 -28.2 4.1 16.8 25.8 245 742 A S G 3 S+ 0 0 40 1,-0.3 -7,-0.0 -7,-0.1 -2,-0.0 0.599 86.4 73.3 -69.7 -10.9 1.7 18.0 23.1 246 743 A S G < S+ 0 0 53 -3,-1.8 2,-0.7 -8,-0.1 -1,-0.3 0.588 72.2 102.0 -75.2 -12.8 2.6 21.6 24.1 247 744 A V < - 0 0 12 -3,-1.6 2,-0.8 -4,-0.2 3,-0.1 -0.664 61.1-160.5 -77.3 116.7 5.9 21.2 22.4 248 745 A D > - 0 0 81 -2,-0.7 4,-2.4 1,-0.2 3,-0.3 -0.863 4.7-163.8-102.3 104.5 5.7 22.9 19.0 249 746 A I H > S+ 0 0 6 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.877 89.5 54.3 -60.9 -38.3 8.5 21.5 16.9 250 747 A K H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 109.6 48.0 -58.1 -44.9 8.2 24.4 14.4 251 748 A K H > S+ 0 0 140 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.909 111.7 49.6 -63.7 -42.3 8.7 26.9 17.2 252 749 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 110.4 50.3 -64.5 -41.2 11.7 25.0 18.6 253 750 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 108.9 51.4 -64.3 -41.6 13.3 24.9 15.2 254 751 A L H < S+ 0 0 29 -4,-2.3 4,-0.4 2,-0.2 -219,-0.3 0.906 109.3 51.5 -62.0 -38.5 12.8 28.6 14.7 255 752 A E H >< S+ 0 0 52 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.943 110.4 48.0 -59.9 -46.9 14.4 29.1 18.1 256 753 A M H >X S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 4,-1.0 0.875 103.0 62.4 -63.5 -35.8 17.4 26.9 17.0 257 754 A R T 3< S+ 0 0 12 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.571 86.5 73.9 -69.7 -6.6 17.7 28.9 13.8 258 755 A K T <4 S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.749 104.7 39.7 -68.3 -22.6 18.4 32.0 15.8 259 756 A F T <4 S+ 0 0 36 -3,-2.2 -200,-0.4 1,-0.3 2,-0.3 0.690 128.9 13.3-105.7 -24.0 21.8 30.4 16.4 260 757 A R S >< S- 0 0 0 -4,-1.0 3,-0.7 -202,-0.1 -1,-0.3 -0.955 77.9-116.8-153.4 137.9 22.7 28.8 13.0 261 758 A M T 3 S+ 0 0 50 -204,-0.6 -3,-0.1 -2,-0.3 -225,-0.1 -0.294 86.4 16.7 -67.5 150.9 21.1 29.3 9.5 262 759 A G T 3 + 0 0 12 1,-0.2 -1,-0.2 -5,-0.1 2,-0.1 0.526 68.0 175.6 77.5 10.9 19.4 26.6 7.6 263 760 A L < + 0 0 0 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.349 67.4 21.2 -62.5 124.3 18.8 24.0 10.2 264 761 A I S S- 0 0 0 -42,-2.1 -41,-0.2 -41,-0.2 -40,-0.1 0.673 72.7-158.0 73.7 119.8 16.8 21.2 8.5 265 762 A Q + 0 0 58 1,-0.1 2,-0.3 -42,-0.0 -42,-0.1 0.458 61.8 39.2-110.8 -4.2 17.2 21.3 4.8 266 763 A T S > S- 0 0 28 -43,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.981 73.0-119.3-146.9 157.5 14.2 19.5 3.4 267 764 A A H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.875 116.5 54.3 -61.2 -37.4 10.5 19.1 3.9 268 765 A D H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.822 104.9 52.8 -69.4 -31.7 11.1 15.3 4.5 269 766 A Q H > S+ 0 0 1 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.895 109.5 49.3 -67.2 -38.6 13.6 16.1 7.2 270 767 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.962 112.7 47.4 -63.6 -49.6 11.1 18.3 8.9 271 768 A R H X S+ 0 0 72 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 111.8 51.3 -51.0 -48.7 8.5 15.5 8.6 272 769 A F H X S+ 0 0 12 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.894 105.1 55.3 -59.8 -41.1 11.1 13.0 9.9 273 770 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.928 110.1 46.4 -60.4 -43.0 11.9 15.2 12.9 274 771 A Y H X S+ 0 0 15 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.941 114.8 47.1 -61.7 -47.3 8.2 15.2 13.9 275 772 A L H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.934 114.1 46.1 -61.1 -47.9 7.9 11.4 13.4 276 773 A A H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.862 113.5 49.2 -64.2 -38.8 11.1 10.7 15.4 277 774 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.941 112.5 46.6 -69.4 -45.6 10.1 13.0 18.2 278 775 A I H X S+ 0 0 8 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.960 118.1 42.6 -60.0 -50.6 6.6 11.6 18.5 279 776 A E H X S+ 0 0 76 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.894 115.9 48.3 -63.2 -42.9 7.9 8.0 18.4 280 777 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.885 112.1 48.7 -65.0 -39.8 10.9 8.7 20.8 281 778 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.904 110.1 51.3 -69.1 -41.7 8.7 10.5 23.3 282 779 A K H X S+ 0 0 65 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.921 112.6 47.9 -57.1 -46.6 6.1 7.7 23.3 283 780 A F H >< S+ 0 0 152 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.945 115.4 43.1 -59.4 -52.0 9.0 5.3 23.9 284 781 A I H 3< S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 121.7 39.1 -61.6 -46.5 10.5 7.4 26.7 285 782 A M H 3< 0 0 45 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.444 360.0 360.0 -86.9 -1.0 7.2 8.1 28.4 286 783 A G << 0 0 99 -4,-0.9 -3,-0.0 -3,-0.6 -4,-0.0 -0.321 360.0 360.0 -76.0 360.0 5.7 4.6 27.8