NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
1069 | 1a2s | cing | 1-original | 1 | MARDIGRAS/CORMA | distance | general distance | simple |
2 ALA HN 2 ALA HA 3.30 # 2 100200.0 cormajan 402 HN 2 ALA QB 4.90 # 2M 16010.0 cormajan 403 HN 3 ASP- HN 5.00 # w 2 4840.0 cormajan2383 HA 2 ALA QB 3.80 # 2M 55490.0 cormajan 407 HA 3 ASP- HN 3.70 # 2 55220.0 cormajan2364 QB 3 ASP- HN 4.50 # 2M 23760.0 cormajan2010 QB 74 ALA QB 6.50 # m 5M 58310.0 cormajan2618 QB 75 GLY HA1 6.00 # w 5M 4373.0 cormajan2508 QB 75 GLY HA2 6.00 # w 5M 3161.0 cormajan2813 QB 78 ALA HN 6.00 # w 5M 10700.0 cormajan2382 QB 78 ALA QB 5.50 # m 5M 138000.0 cormajan2380 3 ASP- HN 3 ASP- HA 4.00 # 2 36990.0 cormajan2361 HN 3 ASP- QB 5.30 # i 2 17690.0*2 cormajan2360 HN 4 LEU HA 5.00 # w 2 1451.0 cormajan2531 HN 75 GLY HA1 4.40 <# 4 11680.0 cormajan2356 HN 75 GLY HA2 5.00 ># w 4 1395.0 cormajan2357 HA 3 ASP- QB 5.60 # i w 2 5985.0*2 cormajan2362 HA 4 LEU HN 5.00 # w 2 1144.0 cormajan2620 HA 5 ALA HN 5.00 # w 3 3099.0 cormajan2585 QB 4 LEU HN 6.00 # m w 2 10720.0*2 cormajan2741 QB 5 ALA HN 6.00 # m w 3 1461.0*2 cormajan2743 QB 6 LEU HB3 6.00 # m w 5 2312.5*2 cormajan2745 4 LEU HN 4 LEU HA 4.30 # 2 27420.0 cormajan 557 HN 4 LEU QB 4.50 # i 2 43260.0*2 cormajan1237 HN 4 LEU HG 4.70 # 1 16920.0 cormajan1234 HN 4 LEU QD1 5.90 ># 1M 12460.0 cormajan1346 HN 4 LEU QD2 4.80 <# 1M 37630.0 cormajan 555 HN 5 ALA HN 4.20 # 2 32020.0 cormajan2747 HA 4 LEU QB 4.80 # m 2 51250.0*2 cormajan 560 HA 4 LEU HG 4.00 # 1 37330.0 cormajan1233 HA 4 LEU QD2 4.20 # 1M 70460.0 cormajan 563 HA 5 ALA HN 5.00 # w 2 2290.0 cormajan2007 HA 7 GLY HN 5.00 # w 3 4911.0 cormajan2019 QB 4 LEU HG 4.80 # m 1 51850.0*2 cormajan1229 QB 4 LEU QD2 5.80 # m 1M 34705.0*2 cormajan2005 QB 5 ALA HN 5.90 # m 2 14025.0*2 cormajan2008 QB 79 TYR CG 8.00 # mrw 5 1390.0*2*2 cormajan2279 QB 79 TYR CZ 8.00 # mrw 5 235.8*2*2 cormajan2280 HG 4 LEU QD1 4.90 ># 1M 33320.0 cormajan2004 HG 4 LEU QD2 3.40 <# s 1M 209600.0 cormajan1230 QD1 7 GLY HN 6.00 # w 5M 14480.0 cormajan1680 QD1 79 TYR HN 6.00 ># w 5M 7808.0 cormajan2018 QD1 82 ASP- QB 7.00 # m w 5M 14240.0*2 cormajan2026 QD2 5 ALA HN 6.00 # w 5M 19060.0 cormajan2009 QD2 7 GLY HN 6.00 # w 5M 17930.0 cormajan1347 QD2 78 ALA HA 6.00 # w 5M 4380.0 cormajan2025 QD2 78 ALA QB 6.20 # m 5M 73240.0 cormajan2023 QD2 79 TYR HN 6.00 <# w 5M 21670.0 cormajan2012 QD2 79 TYR HA 5.40 # 5M 64300.0 cormajan2016 QD2 79 TYR QB 7.00 # m w 5M 10820.0*2 cormajan2015 QD2 82 ASP- QB 7.00 # m w 5M 10355.0*2 cormajan2027 5 ALA HN 5 ALA HA 4.30 # 2 27290.0 cormajan 204 HN 5 ALA QB 3.40 # s 2M 102700.0 cormajan 203 HN 6 LEU HN 3.30 # 2 102300.0 cormajan1838 HA 5 ALA QB 3.40 # s 2M 101100.0 cormajan 295 HA 6 LEU HN 5.00 # w 2 6879.0 cormajan1840 HA 7 GLY HN 5.00 # w 3 6123.0 cormajan2030 HA 8 LYS+ HN 5.00 # w 3 10940.0 cormajan1880 HA 8 LYS+ HB2 5.00 # w 3 3141.0 cormajan2749 HA 8 LYS+ QD 6.00 # m w 5 2200.5*2 cormajan2031 QB 6 LEU HN 4.80 # 2M 18070.0 cormajan2750 6 LEU HN 6 LEU HA 4.20 # 2 30540.0 cormajan 743 HN 6 LEU HB3 3.60 # 2 62980.0 cormajan 747 HN 6 LEU HB2 3.40 # 2 84500.0 cormajan 732 HN 6 LEU HG 4.60 # 1 18910.0 cormajan 733 HN 6 LEU QD1 5.40 <# 1M 19820.0 cormajan 741 HN 6 LEU QD2 6.00 ># w 1M 8801.0 cormajan 740 HN 7 GLY HN 3.70 # 2 57980.0 cormajan1842 HN 9 ALA HN 5.00 # w 3 6756.0 cormajan2041 HA 6 LEU HB3 4.20 # 2 30500.0 cormajan 756 HA 6 LEU HB2 4.00 # 2 41040.0 cormajan 753 HA 6 LEU HG 4.10 # 1 35400.0 cormajan 754 HA 6 LEU QD1 4.20 <# 1M 71200.0 cormajan 755 HA 6 LEU QD2 5.30 ># 1M 22250.0 cormajan1823 HA 7 GLY HN 4.40 # 2 25030.0 cormajan1841 HA 9 ALA QB 5.60 # 3M 11460.0 cormajan2622 HB3 6 LEU HG 3.60 # 1 69510.0 cormajan1831 HB3 6 LEU QD1 5.70 # 1M 15240.0 cormajan1824 HB3 6 LEU QD2 3.90 # 1M 96950.0 cormajan 550 HB3 7 GLY HN 3.90 # 2 44360.0 cormajan1845 HB2 6 LEU QD1 3.70 # 1M 140000.0 cormajan1833 HB2 6 LEU QD2 4.50 # 1M 47730.0 cormajan1828 HG 6 LEU QD1 3.60 <# 1M 148700.0 cormajan1837 HG 6 LEU QD2 4.30 ># 1M 59730.0 cormajan1835 HG 10 VAL QG2 6.00 # w 5M 1473.0 cormajan2625 HG 72 GLU- QB 5.40 # m 5 14950.0*2 cormajan2035 HG 72 GLU- QG 6.00 # m w 5 1293.0*2 cormajan2627 QD1 71 ASP- HB2 6.00 # w 5M 2061.0 cormajan2802 QD2 9 ALA QB 6.20 # m 5M 74840.0 cormajan2034 QD2 10 VAL HN 6.00 # w 5M 2089.0 cormajan1867 QD2 71 ASP- HB3 6.00 # w 5M 1834.0 cormajan2752 QD2 72 GLU- QB 7.00 # m w 5M 33445.0*2 cormajan2040 7 GLY HN 7 GLY HA1 3.90 # 2 42920.0 cormajan 431 HN 7 GLY HA2 4.10 # 2 34490.0 cormajan 435 HN 8 LYS+ HN 4.00 # 2 37650.0 cormajan1853 HN 75 GLY HA1 5.00 ># w 4 5447.0 cormajan1878 HN 75 GLY HA2 4.40 <# 4 11500.0 cormajan1874 HA1 8 LYS+ HN 4.60 # 2 19350.0 cormajan1855 HA1 10 VAL QG2 6.00 # w 5M 1113.0 cormajan2628 HA1 75 GLY HN 4.40 # 4 12520.0 cormajan1877 HA1 76 VAL HN 4.60 # 4 9991.0 cormajan2754 HA1 76 VAL HA 3.40 # 4 42970.0 cormajan1870 HA1 76 VAL QG2 6.00 # w 5M 2128.0 cormajan1869 HA1 79 TYR HN 5.00 # 4 6152.0 cormajan2042 HA1 79 TYR QB 4.50 # m 5 37945.0*2 cormajan1872 8 LYS+ HN 8 LYS+ HA 4.50 # 2 21650.0 cormajan 367 HN 8 LYS+ HB2 3.80 # 2 51030.0 cormajan 363 HN 8 LYS+ HB3 3.40 # 2 82940.0 cormajan 364 HN 8 LYS+ QG 6.00 # m w 1 9290.0*2 cormajan 365 HN 8 LYS+ QD 6.00 # m w 1 2278.5*2 cormajan1148 HN 8 LYS+ QE 6.00 # m w 1 3824.5*2 cormajan 760 HN 9 ALA HN 3.30 # 2 108100.0 cormajan1860 HN 9 ALA HA 5.00 # w 2 2405.0 cormajan1859 HN 10 VAL HN 5.00 # w 3 8830.0 cormajan2043 HN 11 PHE HN 5.00 # w 3 11770.0 cormajan2044 HN 79 TYR QB 6.00 # m w 5 2239.0*2 cormajan1882 HA 8 LYS+ HB2 3.80 # 2 48180.0 cormajan 687 HA 8 LYS+ HB3 3.50 # 2 81440.0 cormajan 372 HA 8 LYS+ QG 5.10 # i 1 20640.0*2 cormajan 371 HA 8 LYS+ QD 5.10 # m 1 36280.0*2 cormajan 688 HA 9 ALA HN 5.00 # w 2 2614.0 cormajan1858 HA 11 PHE HN 5.00 # w 3 21240.0 cormajan2047 HA 11 PHE QB 6.00 # m 3 39745.0*2 cormajan2048 HB2 8 LYS+ QG 4.90 ># m 1 46135.0*2 cormajan 374 HB2 8 LYS+ QE 5.80 <# m 1 15335.0*2 cormajan 686 HB2 79 TYR CG 7.00 # r w 5 2373.5*2 cormajan2282 HB3 8 LYS+ QG 4.40 <# m 1 93250.0*2 cormajan1850 HB3 8 LYS+ QD 5.20 # m 1 28525.0*2 cormajan1848 HB3 8 LYS+ QE 6.00 ># m w 1 4870.5*2 cormajan 689 HB3 9 ALA HN 4.60 # 2 19110.0 cormajan1857 HB3 12 ASP- HN 5.00 # w 3 1013.0 cormajan2322 QG 8 LYS+ QD 6.40 # mm 1 23657.5*2*2 cormajan 683 QG 8 LYS+ QE 7.00 # mmw 1 3705.0*2*2 cormajan1149 QG 9 ALA HN 6.00 # m w 5 6190.0*2 cormajan1863 QG 9 ALA HA 6.00 # m w 5 2839.5*2 cormajan1866 QG 12 ASP- QB 7.00 # mmw 5 640.2*2*2 cormajan2629 QD 8 LYS+ QE 7.00 # mmw 1 5675.0*2*2 cormajan 685 QD 9 ALA HN 6.00 # m w 5 815.0*2 cormajan2632 QE 11 PHE HN 5.00 # m 5 20365.0*2 cormajan2073 QE 12 ASP- HN 5.70 # m 5 11520.0*2 cormajan2323 QE 79 TYR CZ 8.00 # mrw 5 522.2*2*2 cormajan2633 9 ALA HN 9 ALA HA 4.00 # 2 40370.0 cormajan 761 HN 9 ALA QB 3.40 # s 2M 142000.0 cormajan 762 HN 10 VAL HN 4.10 # 2 35950.0 cormajan1673 HN 11 PHE HN 5.00 # w 3 13790.0 cormajan2051 HA 9 ALA QB 4.00 # 2M 42760.0 cormajan 766 HA 10 VAL HN 4.60 # 2 18720.0 cormajan1672 HA 11 PHE HN 5.00 # w 3 3784.0 cormajan2050 HA 12 ASP- HN 5.00 # w 3 20220.0 cormajan1700 HA 12 ASP- QB 6.00 # m w 3 19165.0*2 cormajan1701 QB 10 VAL HN 3.80 # 2M 57810.0 cormajan1671 10 VAL HN 10 VAL HA 4.10 # 2 32260.0 cormajan 515 HN 10 VAL HB 3.50 # 2 72320.0 cormajan1513 HN 10 VAL QG1 4.00 <# 1M 90560.0 cormajan 516 HN 10 VAL QG2 5.80 ># 1M 13600.0 cormajan 517 HN 12 ASP- HN 5.00 # w 3 5497.0 cormajan2492 HN 76 VAL HB 5.20 # w 5 3302.0 cormajan1798 HA 10 VAL HB 3.90 # 2 42900.0 cormajan1670 HA 10 VAL QG1 4.30 # 1M 63730.0 cormajan 522 HA 10 VAL QG2 4.70 # 1M 41800.0 cormajan 518 HA 11 PHE HN 5.00 # w 2 11620.0 cormajan1995 HA 13 GLY HN 5.00 # w 3 479.0 cormajan2055 HA 14 ASN HN 5.00 # w 3 10400.0 cormajan2057 HA 14 ASN HD21 3.40 # 5 43840.0 cormajan1685 HA 14 ASN HD22 3.90 # 5 23260.0 cormajan1686 HB 10 VAL QG1 4.90 # 1M 33060.0 cormajan1521 HB 10 VAL QG2 4.30 # 1M 61230.0 cormajan1518 HB 11 PHE HN 3.80 # 2 51470.0 cormajan2000 HB 14 ASN HD21 5.20 # w 5 6903.0 cormajan1687 HB 14 ASN HD22 4.50 # 5 13180.0 cormajan1688 HB 76 VAL QG1 5.70 <# 5M 51730.0 cormajan2053 HB 76 VAL QG2 6.00 ># w 5M 13200.0 cormajan2634 QG1 11 PHE HN 6.00 # w 5M 9920.0 cormajan2001 QG1 14 ASN QB 7.00 # m w 5M 5180.0*2 cormajan2636 QG1 14 ASN HD21 6.00 # w 5M 2078.0 cormajan1690 QG1 14 ASN HD22 6.00 # w 5M 4893.0 cormajan1689 QG1 15 CYSS HN 6.00 # w 5M 2858.0 cormajan2065 QG1 68 LEU QD1 6.00 # m 5M 86450.0 cormajan2059 QG1 68 LEU QD2 4.50 # m 5M 362200.0 cormajan2061 QG1 72 GLU- QB 7.00 <# m w 5M 8140.0*2 cormajan2039 QG1 72 GLU- QG 7.00 # m w 5M 2301.0*2 cormajan2757 QG2 11 PHE HN 6.00 # w 5M 6894.0 cormajan2002 QG2 14 ASN HN 6.00 # w 5M 1223.0 cormajan2596 QG2 14 ASN HD21 6.00 # w 5M 31600.0 cormajan1695 QG2 14 ASN HD22 6.00 # w 5M 10560.0 cormajan1696 QG2 68 LEU HG 5.10 # 5M 82230.0 cormajan1697 QG2 68 LEU QD2 6.60 # m 5M 53180.0 cormajan2062 QG2 72 GLU- QB 7.00 ># m w 5M 571.5*2 cormajan2638 QG2 76 VAL HN 6.00 # w 5M 4179.0 cormajan2496 QG2 76 VAL HB 6.00 # 5M 40970.0 cormajan1797 11 PHE HN 11 PHE QB 5.20 # i 2 19745.0*2 cormajan2418 HN 12 ASP- HN 4.40 # 2 22760.0 cormajan1993 HN 15 CYSS HN 5.00 # w 3 6411.0 cormajan2072 HN 76 VAL QG1 6.00 <# w 5M 17920.0 cormajan2066 HN 76 VAL QG2 6.00 ># w 5M 4149.0 cormajan2642 HN 79 TYR CZ 7.00 # r w 5 388.5*2 cormajan2640 QB 12 ASP- HN 5.20 # m 2 31415.0*2 cormajan1990 QB 13 GLY HN 6.00 # m w 3 6775.0*2 cormajan2071 QB 76 VAL QG1 7.00 # m w 5M 9405.0*2 cormajan2067 QB 79 TYR QB 7.00 # mmw 5 1616.8*2*2 cormajan2790 QB 79 TYR CZ 8.00 # mrw 5 682.5*2*2 cormajan2284 CZ 11 PHE HZ 7.00 # r w 1 3932.5*2 cormajan2391 CZ 21 GLY HN 7.00 # r w 5 143.0*2 cormajan2643 CZ 32 LEU QD1 8.00 # r w 5M 569.5*2 cormajan2759 HZ 22 GLY HN 5.00 # 5 8530.0 cormajan2387 HZ 89 TRP HH2 4.70 # 5 10780.0 cormajan2385 12 ASP- HN 12 ASP- HA 3.70 # 2 53780.0 cormajan 485 HN 12 ASP- QB 4.30 # i 2 57750.0*2 cormajan 484 HN 13 GLY HN 5.00 # w 2 11260.0 cormajan1470 HN 14 ASN HN 5.00 # w 3 1635.0 cormajan2491 HN 15 CYSS HN 5.00 # w 3 8279.0 cormajan2076 HA 12 ASP- QB 4.50 # i 2 45005.0*2 cormajan 486 HA 13 GLY HN 5.00 # w 2 7843.0 cormajan2644 HA 14 ASN HN 5.00 # w 3 2094.0 cormajan2074 HA 15 CYSS HN 5.00 # w 3 4785.0 cormajan2075 HA 16 ALA QB 3.90 # 3M 72810.0 cormajan1703 QB 13 GLY HN 5.80 # m 2 14915.0*2 cormajan1468 QB 16 ALA QB 7.00 # m w 5M 35150.0*2 cormajan2078 13 GLY HN 13 GLY HA1 4.20 ># 2 30090.0 cormajan 209 HN 13 GLY HA2 3.50 <# 2 79490.0 cormajan 208 HN 14 ASN HN 3.50 # 2 77660.0 cormajan1461 HN 14 ASN HA 4.70 # 2 17010.0 cormajan1657 HN 14 ASN HD21 3.60 # 5 33850.0 cormajan1466 HA1 14 ASN HN 5.00 ># w 2 7299.0 cormajan1460 HA2 14 ASN HN 4.80 <# 2 15240.0 cormajan1459 HA2 14 ASN HD21 5.20 # w 5 5661.0 cormajan1464 14 ASN HN 14 ASN HA 4.50 # 2 20500.0 cormajan 731 HN 14 ASN QB 5.10 # i 2 21245.0*2 cormajan 728 HN 15 CYSS HN 3.40 # 2 84940.0 cormajan1664 HN 15 CYSS HA 5.00 # w 2 1239.0 cormajan2569 HA 14 ASN QB 4.50 # i 2 42365.0*2 cormajan 729 HA 14 ASN HD21 5.00 # w 1 3947.0 cormajan1453 QB 14 ASN HD21 5.40 <# m 1 23780.0*2 cormajan1451 QB 14 ASN HD22 6.00 ># m w 1 10955.0*2 cormajan1454 QB 15 CYSS HN 6.00 # m w 2 10790.0*2 cormajan1662 QB 64 TRP HE3 5.30 # m 5 16075.0*2 cormajan2082 QB 64 TRP HH2 6.00 # m w 5 2900.5*2 cormajan2080 QB 68 LEU QD2 7.00 # m w 5M 10665.0*2 cormajan2761 HD21 68 LEU QD2 6.00 # w 5M 5648.0 cormajan1456 HD22 68 LEU QD2 6.00 # w 5M 15150.0 cormajan1457 15 CYSS HN 15 CYSS HA 4.90 # 2 14550.0 cormajan1543 HN 15 CYSS QB 5.40 # i 2 14700.0*2 cormajan1542 HN 16 ALA HN 3.10 # 2 140900.0 cormajan1658 HN 16 ALA QB 4.90 # 2M 16900.0 cormajan2083 HA 15 CYSS QB 6.00 # m w 2 10330.0*2 cormajan1544 QB 16 ALA HN 6.00 # m w 2 9410.0*2 cormajan1660 16 ALA HN 16 ALA HA 4.40 # 2 23690.0 cormajan 727 HN 16 ALA QB 3.40 # s 2M 99720.0 cormajan 726 HN 17 ALA HN 4.50 # 2 20760.0 cormajan1666 HN 17 ALA HA 5.00 # w 2 1064.0 cormajan1665 HN 19 HET HN 5.00 # w 3 1085.0 cormajan2480 HA 16 ALA QB 3.50 # 2M 86620.0 cormajan 725 HA 19 HET HN 5.00 # w 3 4789.0 cormajan2263 HA 20 ALA HN 5.00 # w 3 6112.0 cormajan2090 HA 20 ALA HA 5.00 # w 3 3696.0 cormajan2645 QB 17 ALA HN 4.70 # 2M 19040.0 cormajan1669 QB 20 ALA HN 6.00 # w 3M 3954.0 cormajan2092 QB 20 ALA HA 5.40 # 3M 13020.0 cormajan2091 QB 21 GLY HN 6.00 # w 5M 1955.0 cormajan2419 17 ALA HN 17 ALA HA 4.20 # 2 28930.0 cormajan1540 HN 17 ALA QB 3.70 # 2M 71460.0 cormajan1541 HN 18 CYSS HN 5.00 # w 2 1444.0 cormajan2477 HA 17 ALA QB 3.40 # s 2M 120000.0 cormajan 626 HA 18 CYSS HN 5.00 # w 2 2790.0 cormajan2479 QB 18 CYSS HN 6.00 # w 2M 3037.0 cormajan2475 18 CYSS HN 18 CYSS HA 5.00 # w 2 3250.0 cormajan2471 HN 18 CYSS QB 5.60 # i w 2 1132.0*2 cormajan2472 HA 18 CYSS QB 6.00 # m w 2 3136.5*2 cormajan2473 HA 25 ASN HN 5.00 # w 4 4581.0 cormajan1495 HA 25 ASN HB2 4.20 # 5 17790.0 cormajan2648 HA 25 ASN HD21 5.20 # w 5 3000.0 cormajan2433 QB 25 ASN HB2 6.00 # m w 5 2588.0*2 cormajan2762 19 HET HN 19 HET HA 4.60 # 2 18400.0 cormajan2256 HN 20 ALA HN 5.00 # w 2 2996.0 cormajan2262 HA72 53 GLN HE22 4.20 # 5 17930.0 cormajan2814 QAP6 24 ASN HD22 5.20 # w 5 1324.0 cormajan2442 QBP6 30 HIS HD1 5.20 # w 5 628.0 cormajan2590 20 ALA HN 20 ALA HA 4.50 # 2 20500.0 cormajan1931 HN 20 ALA QB 3.70 # 2M 63460.0 cormajan1932 HN 21 GLY HN 5.00 # w 2 3769.0 cormajan2095 HA 20 ALA QB 3.40 # s 2M 98410.0 cormajan1933 HA 21 GLY HN 3.20 # 2 129900.0 cormajan2094 HA 22 GLY HN 5.00 # w 3 8610.0 cormajan2097 QB 21 GLY HN 4.30 # 2M 30480.0 cormajan2093 21 GLY HN 21 GLY HA1 3.90 ># 2 42240.0 cormajan1525 HN 21 GLY HA2 3.20 <# 2 121700.0 cormajan1526 HN 22 GLY HN 4.10 # 2 35120.0 cormajan2098 HN 89 TRP HE3 5.20 # w 5 2752.0 cormajan2101 HA1 22 GLY HN 5.00 ># w 2 1277.0 cormajan2392 HA2 22 GLY HN 4.90 <# 2 14070.0 cormajan2100 22 GLY HN 22 GLY HA1 4.20 <# 2 31510.0 cormajan2085 HN 22 GLY HA2 4.90 ># 2 14010.0 cormajan2084 HN 89 TRP HE3 4.50 # 5 13230.0 cormajan2389 HA1 32 LEU QB 5.40 <# m 5 14250.0*2 cormajan2104 HA1 32 LEU QD1 6.00 # w 5M 3225.0 cormajan2764 HA2 32 LEU QB 6.00 ># m w 5 1165.5*2 cormajan2105 HA2 89 TRP HH2 5.20 # w 5 2374.0 cormajan2103 23 GLY HA1 24 ASN HN 4.40 # 2 25180.0 cormajan2393 HA1 31 THR HA 5.00 # 4 6006.0 cormajan2395 HA1 31 THR QG2 6.00 # w 5M 12560.0 cormajan2397 HA2 24 ASN HN 4.50 # 2 22200.0 cormajan2394 24 ASN HN 24 ASN HA 5.00 # w 2 5125.0 cormajan2299 HN 24 ASN HB2 5.00 # w 2 8302.0 cormajan2303 HN 24 ASN HB3 5.00 # w 2 8058.0 cormajan2301 HA 25 ASN HN 3.70 # 2 56430.0 cormajan1554 HB2 24 ASN HD22 5.00 # w 1 1972.0 cormajan2440 HB2 30 HIS QB 6.00 # m w 5 570.0*2 cormajan2650 HB3 24 ASN HD22 5.00 # w 1 1156.0 cormajan2439 HB3 30 HIS HN 5.20 # w 5 1446.0 cormajan2443 HD22 30 HIS QB 6.00 # m w 5 1600.5*2 cormajan2441 HD22 32 LEU QD2 6.00 # w 5M 2790.0 cormajan2536 25 ASN HN 25 ASN HA 4.90 # 2 14460.0 cormajan 861 HN 25 ASN HB2 5.00 # w 2 5289.0 cormajan 864 HN 25 ASN HB3 5.00 # w 2 8750.0 cormajan 859 HN 26 VAL HN 4.20 # 2 30540.0 cormajan1493 HN 26 VAL QG1 6.00 # w 5M 1707.0 cormajan1496 HA 25 ASN HB2 3.60 # 2 62090.0 cormajan 862 HA 25 ASN HB3 3.70 # 2 60610.0 cormajan 863 HA 26 VAL HN 5.00 # 2 12750.0 cormajan1492 HB2 25 ASN HD21 5.00 # w 1 10890.0 cormajan2424 HB2 25 ASN HD22 5.00 # w 1 5385.0 cormajan2427 HB2 26 VAL HN 5.00 # w 2 1821.0 cormajan2485 HB3 25 ASN HD21 4.60 # 1 18150.0 cormajan2423 HB3 25 ASN HD22 5.00 # w 1 5843.0 cormajan2431 26 VAL HN 26 VAL HA 4.50 # 2 21140.0 cormajan 642 HN 26 VAL HB 4.20 # 2 28490.0 cormajan1471 HN 26 VAL QG1 4.50 <# 1M 49160.0 cormajan 641 HN 26 VAL QG2 5.90 ># 1M 13090.0 cormajan 640 HN 27 ILE HN 3.70 # 2 60550.0 cormajan1484 HA 26 VAL HB 4.80 # 2 15820.0 cormajan1472 HA 26 VAL QG1 5.40 ># 1M 19920.0 cormajan 644 HA 26 VAL QG2 4.20 <# 1M 70940.0 cormajan 649 HA 27 ILE HN 5.00 # w 2 3173.0 cormajan1489 HB 26 VAL QG2 4.40 # 1M 58910.0 cormajan1473 HB 27 ILE HN 5.00 # w 2 11610.0 cormajan1487 QG1 27 ILE HN 6.00 # w 5M 13210.0 cormajan1488 QG1 27 ILE QG1 7.00 # m w 5M 5360.0*2 cormajan2651 QG2 60 ALA QB 7.00 # m w 5M 25310.0 cormajan1921 27 ILE HN 27 ILE HA 5.00 # w 2 8154.0 cormajan1479 HN 27 ILE HB 3.70 # 2 55820.0 cormajan 720 HN 27 ILE QG2 6.00 # w 1M 7561.0 cormajan1481 HA 27 ILE HB 4.00 # 2 37150.0 cormajan1482 HA 27 ILE QG2 4.40 # 1M 55640.0 cormajan1483 HA 27 ILE QG1 5.60 # i w 1 7540.0*2 cormajan1478 HA 28 PRO HD2 3.40 ># 5 42740.0 cormajan1503 HA 28 PRO HD3 2.70 <# 5 110200.0 cormajan1504 HA 29 ASP- HN 5.00 # w 3 5123.0 cormajan2483 HB 27 ILE QG2 3.40 # s 1M 375200.0 cormajan 721 HB 27 ILE QG1 3.90 # m 1 187250.0*2 cormajan1477 HB 28 PRO HD2 5.20 ># w 5 901.0 cormajan2612 HB 28 PRO HD3 5.20 <# w 5 2951.0 cormajan1508 HB 30 HIS HN 5.00 # w 3 4400.0 cormajan2107 HB 30 HIS QB 6.00 # m w 5 4138.5*2 cormajan2817 QG2 28 PRO HD2 6.00 # w 5M 11740.0 cormajan1506 QG2 29 ASP- HN 6.00 # w 5M 15020.0 cormajan2404 QG2 30 HIS HN 6.00 # w 5M 21350.0 cormajan1467 QG2 30 HIS QB 7.00 # m w 5M 6020.0*2 cormajan2106 QG2 30 HIS HD1 6.00 # w 5M 8218.0 cormajan2405 QG2 30 HIS HD2 6.00 # w 5M 4054.0 cormajan2408 QG1 29 ASP- HN 6.00 # m w 5 483.0*2 cormajan2593 QG1 30 HIS HN 6.00 # m w 5 421.0*2 cormajan2594 28 PRO HA 28 PRO HB2 3.30 <# 2 105200.0 cormajan 32 HA 28 PRO HB3 4.10 ># 2 33440.0 cormajan 33 HA 28 PRO QG 4.70 # i 1 33095.0*2 cormajan1497 HA 28 PRO HD2 5.00 # w 1 9366.0 cormajan 31 HA 29 ASP- HN 5.00 # w 2 11570.0 cormajan1974 HA 30 HIS HN 5.00 # w 3 4609.0 cormajan2109 HB2 28 PRO QG 4.10 # m 1 134100.0*2 cormajan 42 HB2 28 PRO HD2 5.00 # w 1 4743.0 cormajan 38 HB2 28 PRO HD3 5.00 # w 1 5555.0 cormajan1500 HB3 28 PRO HD2 4.10 # 1 35610.0 cormajan 37 HB3 28 PRO HD3 3.70 # 1 56080.0 cormajan 34 QG 28 PRO HD2 4.80 <# m 1 51400.0*2 cormajan 36 QG 28 PRO HD3 6.00 ># m w 1 11190.0*2 cormajan 44 HD2 29 ASP- HN 5.20 # w 5 7505.0 cormajan1973 29 ASP- HN 29 ASP- HA 3.60 # 2 63000.0 cormajan1965 HN 29 ASP- HB2 5.00 # w 2 9975.0 cormajan 221 HN 29 ASP- HB3 5.00 # 2 12430.0 cormajan 220 HN 30 HIS HN 3.20 # 2 117400.0 cormajan1968 HN 30 HIS QB 6.00 # m w 2 3883.0*2 cormajan1969 HA 29 ASP- HB2 3.70 # 2 60580.0 cormajan1963 HA 29 ASP- HB3 4.20 # 2 31670.0 cormajan 224 HA 30 HIS HN 4.90 # 2 13190.0 cormajan1966 HB2 40 PHE CZ 7.00 # r 5 8400.0*2 cormajan2111 HB3 30 HIS QB 6.00 # m w 5 6475.0*2 cormajan1970 30 HIS HN 30 HIS HA 5.00 # w 2 6887.0 cormajan1509 HN 30 HIS QB 5.10 # i 2 21915.0*2 cormajan1511 HN 30 HIS HD2 5.00 # w 1 2813.0 cormajan2315 HN 31 THR HN 5.00 # 2 12380.0 cormajan1959 HN 31 THR QG2 6.00 # w 5M 5121.0 cormajan1962 HA 30 HIS QB 6.00 # m w 2 6450.0*2 cormajan1512 HA 30 HIS HD2 5.00 # w 1 3981.0 cormajan2314 HA 31 THR HN 3.50 # 2 75920.0 cormajan1961 HA 40 PHE CG 6.10 # r 5 20045.0*2 cormajan2114 HA 40 PHE CZ 7.00 # r w 5 6630.0*2 cormajan2113 QB 30 HIS HD1 6.00 # m w 1 3375.0*2 cormajan2310 QB 30 HIS HD2 6.00 # m w 1 1982.0*2 cormajan2313 QB 30 HIS HE1 6.00 # m w 1 1097.0*2 cormajan2589 HD1 30 HIS HD2 5.00 # w 1 1273.0 cormajan2311 HD1 30 HIS HE1 2.40 # s 1 561500.0 cormajan2312 HD2 40 PHE HB2 5.20 ># w 5 1638.0 cormajan2559 HD2 40 PHE HB3 5.20 <# w 5 5887.0 cormajan2558 31 THR HN 31 THR HA 5.00 # w 2 3823.0 cormajan1562 HN 31 THR HB 5.00 # w 2 3276.0 cormajan1560 HN 31 THR QG2 4.00 # 1M 88590.0 cormajan1575 HN 31 THR HG1 5.00 # w 1 10260.0 cormajan1563 HN 36 ALA QB 5.30 # 5M 69020.0 cormajan1982 HA 31 THR HB 4.80 # 2 15760.0 cormajan1568 HA 31 THR QG2 3.90 # 1M 100900.0 cormajan1573 HA 31 THR HG1 3.80 # 1 47990.0 cormajan1569 HA 32 LEU HN 3.20 # 2 119500.0 cormajan1955 HA 33 GLN HN 5.00 # w 3 25400.0 cormajan1216 HB 31 THR QG2 4.20 # 1M 70030.0 cormajan1571 HB 31 THR HG1 5.00 # w 1 2642.0 cormajan1565 HB 32 LEU HN 4.60 # 2 18340.0 cormajan1954 HB 33 GLN HN 5.00 # w 3 1154.0 cormajan1985 HB 33 GLN HG2 5.20 # w 5 896.0 cormajan2653 QG2 31 THR HG1 4.30 # 1M 60190.0 cormajan1566 QG2 32 LEU HN 6.00 # w 5M 12870.0 cormajan1958 QG2 33 GLN HN 6.00 # w 5M 3036.0 cormajan1978 HG1 33 GLN HN 4.10 # 5 18490.0 cormajan1221 HG1 33 GLN QB 5.90 # m 5 9360.0*2 cormajan1220 HG1 33 GLN HG2 3.60 <# 5 31480.0 cormajan1222 HG1 33 GLN HG3 5.20 ># w 5 6994.0 cormajan1223 HG1 36 ALA QB 6.00 # w 5M 22890.0 cormajan1983 32 LEU HN 32 LEU HA 4.90 # 2 13320.0 cormajan1936 HN 32 LEU QB 5.60 # i w 2 4579.5*2 cormajan1946 HN 32 LEU HG 4.80 # 1 15250.0 cormajan1938 HN 33 GLN HN 4.20 # 2 30270.0 cormajan1976 HN 33 GLN HG2 5.20 # w 5 2452.0 cormajan1977 HA 32 LEU QB 5.30 # m 2 26695.0*2 cormajan1944 HA 32 LEU HG 4.00 # 1 37460.0 cormajan1945 HA 33 GLN HG3 4.30 # 5 15380.0 cormajan2503 HA 37 ILE QG1 4.50 # m 5 35220.0*2 cormajan1987 HA 37 ILE QD1 6.00 # w 5M 40150.0 cormajan1986 HA 80 VAL HB 5.20 # w 5 4894.0 cormajan2115 QB 32 LEU HG 4.60 # m 1 69600.0*2 cormajan1943 QB 32 LEU QD1 6.00 # m 1M 30590.0*2 cormajan1939 QB 89 TRP HD1 6.00 # m w 5 3377.0*2 cormajan2117 QB 89 TRP HZ2 5.20 # m 5 17845.0*2 cormajan1185 QB 89 TRP HH2 6.00 # m w 5 3126.0*2 cormajan1187 HG 32 LEU QD1 4.30 <# 1M 61820.0 cormajan1940 HG 32 LEU QD2 5.20 ># 1M 24170.0 cormajan1941 HG 33 GLN HN 5.20 # w 5 3039.0 cormajan1980 HG 89 TRP HZ2 4.10 # 5 19920.0 cormajan1193 QD1 89 TRP HZ2 6.00 # w 5M 11910.0 cormajan2766 33 GLN HN 33 GLN HA 3.80 # 2 51970.0 cormajan1134 HN 33 GLN QB 4.70 # i 2 35750.0*2 cormajan 621 HN 33 GLN HG2 3.80 <# 1 53000.0 cormajan 619 HN 33 GLN HG3 4.50 ># 1 20840.0 cormajan 620 HN 34 LYS+ HN 5.00 # w 2 5115.0 cormajan1145 HN 36 ALA QB 4.50 # 3M 33530.0 cormajan1243 HN 37 ILE HN 5.00 # w 3 1526.0 cormajan2118 HN 37 ILE QG1 6.00 # m w 5 720.0*2 cormajan2545 HN 37 ILE QD1 6.00 # w 5M 1622.0 cormajan2547 HA 33 GLN QB 5.30 # m 2 26675.0*2 cormajan1137 HA 33 GLN HG2 4.70 # 1 16340.0 cormajan1135 HA 33 GLN HG3 4.40 # 1 25160.0 cormajan1136 HA 33 GLN HE22 5.00 # w 1 2725.0 cormajan2350 HA 34 LYS+ HN 3.40 # 2 89620.0 cormajan1142 HA 84 ALA HA 5.00 # w 4 5931.0 cormajan2121 HA 89 TRP HD1 4.30 # 5 16660.0 cormajan1183 HA 89 TRP HE1 4.00 # 5 22230.0 cormajan1177 QB 33 GLN HG2 4.70 # m 1 54950.0*2 cormajan 623 QB 33 GLN HG3 4.70 # m 1 61100.0*2 cormajan 629 QB 33 GLN HE21 6.00 # m w 1 2384.0*2 cormajan2348 QB 34 LYS+ HN 6.00 # m w 2 9355.0*2 cormajan2654 QB 35 ALA HN 6.00 # m w 3 3184.5*2 cormajan2120 QB 36 ALA HN 6.00 # m w 3 12340.0*2 cormajan1246 QB 89 TRP HD1 6.00 # m w 5 674.5*2 cormajan2657 QB 89 TRP HE1 5.80 # m 5 10145.0*2 cormajan1178 HG2 33 GLN HE21 4.60 # 1 18120.0 cormajan2347 HG2 33 GLN HE22 5.00 # w 1 6075.0 cormajan2353 HG2 34 LYS+ HN 5.00 ># 5 8796.0 cormajan1143 HG2 35 ALA HN 5.20 # w 5 1284.0 cormajan2659 HG2 36 ALA HN 5.20 ># w 5 966.0 cormajan2502 HG2 89 TRP HD1 4.30 # 5 15250.0 cormajan1184 HG2 89 TRP HE1 5.20 ># w 5 832.0 cormajan1182 HG3 34 LYS+ HN 4.10 <# 5 20060.0 cormajan1147 HG3 36 ALA HN 4.90 <# 5 9606.0 cormajan1245 HG3 89 TRP HE1 5.20 <# w 5 2401.0 cormajan1181 HE21 89 TRP HD1 4.30 # 5 16620.0 cormajan2354 34 LYS+ HN 34 LYS+ HA 4.10 # 2 35440.0 cormajan 276 HN 34 LYS+ HB2 3.70 # 2 55590.0 cormajan 275 HN 34 LYS+ HB3 3.70 # 2 58610.0 cormajan 272 HN 34 LYS+ HG2 5.00 # w 1 5098.0 cormajan 278 HN 34 LYS+ HG3 5.00 # w 1 6943.0 cormajan 277 HN 34 LYS+ HD2 4.80 <# 1 15810.0 cormajan 274 HN 34 LYS+ HD3 5.00 ># w 1 3430.0 cormajan 273 HN 34 LYS+ HE3 5.00 # w 1 3269.0 cormajan 786 HN 35 ALA HN 4.30 # 2 25360.0 cormajan2318 HN 37 ILE HN 5.00 # w 3 1247.0 cormajan2575 HN 37 ILE QG1 6.00 # m w 5 1908.5*2 cormajan2320 HN 84 ALA HA 4.30 # 4 13090.0 cormajan1011 HN 84 ALA QB 5.80 # 5M 48040.0 cormajan1009 HA 34 LYS+ HB2 3.80 # 2 48440.0 cormajan 79 HA 34 LYS+ HB3 3.90 # 2 42060.0 cormajan 54 HA 34 LYS+ HG2 4.60 ># 1 19660.0 cormajan 53 HA 34 LYS+ HG3 3.90 <# 1 44200.0 cormajan 89 HA 34 LYS+ HD2 4.90 # 1 14520.0 cormajan 56 HA 34 LYS+ HE2 4.50 # 1 22300.0 cormajan1133 HA 34 LYS+ HE3 4.40 # 1 23800.0 cormajan2500 HA 36 ALA HN 5.00 # w 3 3420.0 cormajan2122 HA 37 ILE HB 5.00 # w 3 24060.0 cormajan2123 HA 37 ILE QG1 6.00 # m w 5 2832.5*2 cormajan2543 HA 38 GLU- HN 5.00 # w 3 6397.0 cormajan2125 HA 45 PHE CG 7.00 # r w 5 7620.0*2 cormajan2133 HA 45 PHE CZ 7.00 # r w 5 3889.0*2 cormajan2131 HA 84 ALA QB 5.40 # 5M 65240.0 cormajan1251 HB2 34 LYS+ HG2 3.80 # 1 51960.0 cormajan 73 HB2 34 LYS+ HG3 4.30 # 1 26320.0 cormajan 86 HB2 34 LYS+ HD3 3.20 # 1 129900.0 cormajan 69 HB2 45 PHE HZ 5.20 # w 5 3911.0 cormajan2487 HB3 34 LYS+ HG2 3.20 # 1 113800.0 cormajan 64 HB3 34 LYS+ HG3 3.70 # 1 58080.0 cormajan 83 HB3 34 LYS+ HD2 3.50 # 1 80200.0 cormajan 71 HB3 34 LYS+ HE3 5.00 # w 1 4200.0 cormajan 55 HB3 36 ALA HN 5.00 # w 3 2904.0 cormajan2411 HB3 45 PHE CZ 7.00 # r w 5 2481.5*2 cormajan2410 HB3 45 PHE HZ 5.20 # w 5 2590.0 cormajan2413 HG2 34 LYS+ HD2 3.80 # 1 53430.0 cormajan 62 HG2 34 LYS+ HD3 4.10 # 1 34040.0 cormajan 63 HG2 34 LYS+ HE2 4.60 # 1 18220.0 cormajan 52 HG2 34 LYS+ HE3 4.40 # 1 23780.0 cormajan 51 HG2 35 ALA HN 5.00 # 5 8421.0 cormajan2319 HG2 45 PHE CZ 7.00 ># r w 5 1525.0*2 cormajan2738 HG3 34 LYS+ HD2 4.00 # 1 36810.0 cormajan 85 HG3 34 LYS+ HD3 4.40 # 1 23440.0 cormajan 84 HG3 34 LYS+ HE2 5.00 # 1 12680.0 cormajan 88 HG3 34 LYS+ HE3 4.90 # 1 14520.0 cormajan 87 HG3 38 GLU- HG3 5.20 # w 5 898.0 cormajan2127 HG3 38 GLU- HG2 5.20 # w 5 2519.0 cormajan2126 HG3 45 PHE HB3 5.20 # w 5 1553.0 cormajan2129 HG3 45 PHE CG 7.00 # r w 5 3325.5*2 cormajan2414 HG3 45 PHE CZ 7.00 <# r w 5 3415.0*2 cormajan2136 HG3 45 PHE HZ 5.20 # w 5 2736.0 cormajan2135 HD2 34 LYS+ HE2 4.70 # 1 17970.0 cormajan 78 HD2 34 LYS+ HE3 4.20 # 1 31440.0 cormajan 75 HD2 45 PHE CZ 6.80 # r 5 10305.0*2 cormajan2768 HD3 34 LYS+ HE2 5.00 # w 1 8186.0 cormajan 77 HD3 45 PHE CZ 7.00 # r w 5 5590.0*2 cormajan2138 HD3 45 PHE HZ 5.20 # w 5 2627.0 cormajan2139 HD3 85 ALA HA 4.00 # 5 22180.0 cormajan1253 HE3 45 PHE CZ 7.00 # r w 5 455.0*2 cormajan2770 35 ALA HN 35 ALA HA 4.10 # 2 32650.0 cormajan 165 HN 35 ALA QB 3.40 # s 2M 132200.0 cormajan 166 HN 36 ALA HN 4.20 # 2 28800.0 cormajan 869 HN 38 GLU- HN 5.00 # w 3 11990.0 cormajan2141 HA 35 ALA QB 3.80 # 2M 62350.0 cormajan 113 HA 38 GLU- HN 5.00 # w 3 12180.0 cormajan1254 HA 38 GLU- HB2 5.00 <# w 3 24010.0 cormajan1256 HA 38 GLU- HB3 5.00 ># w 3 11330.0 cormajan2143 QB 36 ALA HA 6.00 # w 2M 2632.0 cormajan2579 36 ALA HN 36 ALA HA 3.90 # 2 44370.0 cormajan 230 HN 36 ALA QB 3.50 # 2M 90570.0 cormajan 229 HN 37 ILE HN 3.60 # 2 65220.0 cormajan 871 HN 39 GLN HN 5.00 # w 3 4711.0 cormajan2144 HA 36 ALA QB 3.40 # s 2M 114700.0 cormajan 111 HA 37 ILE HN 5.00 # w 2 6269.0 cormajan 872 HA 39 GLN HN 5.00 # w 3 12990.0 cormajan1258 HA 39 GLN HG3 3.80 # 5 27440.0 cormajan2146 HA 40 PHE CG 6.80 # r 5 10650.0*2 cormajan1264 HA 40 PHE CZ 7.00 # r w 5 4730.5*2 cormajan1263 QB 37 ILE HN 4.00 # 2M 44340.0 cormajan 656 QB 37 ILE HA 5.10 # 2M 13530.0 cormajan 874 QB 40 PHE CG 8.00 # r w 5M 25690.0*2 cormajan1260 QB 40 PHE CZ 8.00 # r w 5M 16350.0*2 cormajan1259 37 ILE HN 37 ILE HA 4.10 # 2 32500.0 cormajan 411 HN 37 ILE HB 3.30 # 2 95130.0 cormajan 410 HN 37 ILE QG2 6.00 # w 1M 10700.0 cormajan 409 HN 37 ILE QG1 6.00 # m w 1 3814.0*2 cormajan 408 HN 37 ILE QD1 4.80 # 1M 34580.0 cormajan 788 HN 38 GLU- HN 4.30 # 2 26060.0 cormajan 878 HN 39 GLN HN 5.00 # w 3 1468.0 cormajan2147 HA 37 ILE HB 4.50 # 2 21560.0 cormajan 417 HA 37 ILE QG2 4.60 # 1M 46240.0 cormajan 414 HA 37 ILE QG1 4.80 # i 1 31615.0*2 cormajan 425 HA 37 ILE QD1 5.00 # 1M 28510.0 cormajan 790 HA 38 GLU- HN 4.90 # 2 14510.0 cormajan 875 HA 40 PHE HB2 5.00 # w 3 1269.0 cormajan2662 HA 41 LEU HN 5.00 # w 3 29150.0 cormajan1267 HA 41 LEU HB3 5.00 # w 3 6060.0 cormajan1269 HA 41 LEU HG 5.20 # w 5 5257.0 cormajan2151 HB 37 ILE QG2 4.00 # 1M 86540.0 cormajan 418 HB 37 ILE QG1 4.40 # m 1 90900.0*2 cormajan 419 HB 38 GLU- HN 4.00 # 2 36970.0 cormajan2505 HB 45 PHE CG 6.00 # r 5 22195.0*2 cormajan1282 HB 45 PHE CZ 7.00 # r w 5 1786.0*2 cormajan1679 HB 84 ALA QB 6.00 # w 5M 21290.0 cormajan1293 QG2 37 ILE QG1 5.00 # m 1M 90950.0*2 cormajan 427 QG2 37 ILE QD1 5.60 # m 1M 42960.0 cormajan 791 QG2 38 GLU- HN 6.00 # 5M 41860.0 cormajan 879 QG2 41 LEU HN 6.00 # w 5M 10300.0 cormajan1270 QG2 41 LEU HB2 5.60 # 5M 54660.0 cormajan1274 QG2 41 LEU HB3 6.00 # 5M 42160.0 cormajan1273 QG2 45 PHE HN 6.00 # w 5M 7297.0 cormajan1289 QG2 45 PHE CG 7.40 # r 5M 62350.0*2 cormajan1280 QG1 37 ILE QD1 4.40 # m s 1M 232550.0*2 cormajan 794 QG1 41 LEU QD2 7.00 # m w 5M 38870.0*2 cormajan2772 QG1 45 PHE CG 7.20 # mr 5 17027.5*2*2 cormajan1283 QG1 45 PHE CZ 7.40 # mr 5 14340.0*2*2 cormajan1677 QG1 45 PHE HZ 6.00 # m w 5 3527.5*2 cormajan1678 QG1 84 ALA QB 7.00 # m w 5M 39420.0*2 cormajan2152 QD1 41 LEU HG 5.50 # 5M 58770.0 cormajan2149 QD1 45 PHE CG 8.00 # r w 5M 3187.0*2 cormajan1281 QD1 80 VAL QG2 7.00 # m w 5M 2740.0 cormajan1291 38 GLU- HN 38 GLU- HA 3.90 # 2 43800.0 cormajan 197 HN 38 GLU- HB2 3.70 <# 2 61290.0 cormajan 194 HN 38 GLU- HB3 4.50 ># 2 20270.0 cormajan 193 HN 38 GLU- HG3 3.70 # 1 56620.0 cormajan 283 HN 38 GLU- HG2 3.80 # 1 52140.0 cormajan 195 HN 39 GLN HN 3.90 # 2 41370.0 cormajan 881 HN 45 PHE HB2 3.70 <# 5 29910.0 cormajan2421 HN 45 PHE HB3 5.20 ># w 5 4802.0 cormajan2155 HN 45 PHE CG 7.00 # r w 5 4174.5*2 cormajan2154 HA 38 GLU- HB2 4.00 # 2 38650.0 cormajan 199 HA 38 GLU- HB3 3.90 # 2 43650.0 cormajan 129 HA 38 GLU- HG3 5.00 ># w 1 1372.0 cormajan 117 HA 38 GLU- HG2 4.20 <# 1 30870.0 cormajan 121 HA 39 GLN HN 5.00 # w 2 4230.0 cormajan 883 HA 45 PHE HN 3.70 # 4 28360.0 cormajan1306 HA 45 PHE HB2 5.20 # w 5 5152.0 cormajan1307 HB2 39 GLN HN 4.30 <# 2 27720.0 cormajan 885 HB3 38 GLU- HG3 3.30 # 1 96170.0 cormajan 128 HB3 38 GLU- HG2 3.60 # 1 66400.0 cormajan 127 HB3 39 GLN HN 5.00 ># w 2 7336.0 cormajan 887 HG3 45 PHE HB3 4.40 # 5 14370.0 cormajan1295 HG2 45 PHE HN 5.20 # w 5 4836.0 cormajan2328 HG2 45 PHE HB2 2.70 # 5 106900.0 cormajan2329 HG2 45 PHE HB3 4.30 # 5 16380.0 cormajan1296 39 GLN HN 39 GLN HA 4.30 # 2 27040.0 cormajan 386 HN 39 GLN QB 5.20 # i 2 19150.0*2 cormajan 384 HN 39 GLN HG2 4.70 ># 1 17270.0 cormajan 388 HN 39 GLN HG3 3.60 <# 1 63190.0 cormajan 385 HN 40 PHE HN 4.00 # 2 40520.0 cormajan 895 HA 39 GLN QB 5.80 # m 2 15855.0*2 cormajan 394 HA 39 GLN HG2 4.90 ># 1 14600.0 cormajan 391 HA 39 GLN HG3 3.40 <# 1 86380.0 cormajan 395 HA 40 PHE HN 5.00 # w 2 6080.0 cormajan 893 QB 39 GLN HG2 4.70 # m 1 57850.0*2 cormajan 400 QB 39 GLN HG3 4.40 # m 1 85350.0*2 cormajan 397 QB 40 PHE HN 6.00 # m w 2 10655.0*2 cormajan 891 QB 40 PHE CG 8.00 # mrw 5 3450.0*2*2 cormajan 800 QB 40 PHE CZ 8.00 # mrw 5 745.5*2*2 cormajan 795 HG2 40 PHE HN 3.00 <# 5 66990.0 cormajan 556 HG2 40 PHE CG 6.90 # r 5 9700.0*2 cormajan 798 HG2 40 PHE CZ 7.00 ># r w 5 1241.5*2 cormajan 801 HG2 40 PHE HZ 5.20 ># w 5 2682.0 cormajan 908 HG3 40 PHE HN 3.70 ># 5 29100.0 cormajan 892 HG3 40 PHE CG 7.00 # r w 5 8270.0*2 cormajan 799 HG3 40 PHE CZ 7.00 <# r w 5 6265.0*2 cormajan 796 HG3 40 PHE HZ 5.20 <# w 5 6530.0 cormajan 906 40 PHE HN 40 PHE HA 4.50 # 2 22080.0 cormajan 890 HN 40 PHE HB2 4.00 # 2 37730.0 cormajan 808 HN 40 PHE HB3 4.00 # 2 39610.0 cormajan 889 HN 40 PHE CG 7.00 # r w 1 5150.0*2 cormajan1276 HN 40 PHE CZ 6.00 # m w 1 3430.5*2 cormajan1277 HN 41 LEU HN 3.50 # 2 74700.0 cormajan 910 HA 40 PHE HB2 4.70 # 2 17490.0 cormajan 809 HA 40 PHE HB3 4.10 # 2 32860.0 cormajan 815 HA 40 PHE CG 4.70 # m 1 59750.0*2 cormajan 902 HA 40 PHE CZ 5.60 # i w 1 10625.0*2 cormajan 901 HA 41 LEU HN 5.00 # w 2 6279.0 cormajan 911 HB2 40 PHE CG 5.90 <# r 1 43765.0*2 cormajan 228 HB2 40 PHE CZ 6.90 <# r 1 14170.0*2 cormajan 903 HB2 41 LEU HN 5.00 # w 2 4957.0 cormajan 912 HB3 40 PHE CG 6.50 ># r 1 21560.0*2 cormajan 899 HB3 40 PHE CZ 7.00 ># r w 1 5490.0*2 cormajan 904 41 LEU HN 41 LEU HA 4.20 # 2 29920.0 cormajan 591 HN 41 LEU HB2 3.70 # 2 56940.0 cormajan 573 HN 41 LEU HB3 3.70 # 2 59770.0 cormajan 581 HN 41 LEU HG 5.00 # w 1 7043.0 cormajan 565 HN 41 LEU QD1 5.80 # 1M 13530.0 cormajan 596 HN 41 LEU QD2 6.00 # w 1M 8963.0 cormajan 816 HN 42 ASP- HN 5.00 # w 2 4415.0 cormajan 918 HN 44 GLY HN 5.00 # w 3 11360.0 cormajan2157 HA 41 LEU HB2 3.80 <# 2 48540.0 cormajan 587 HA 41 LEU HB3 4.60 ># 2 19740.0 cormajan 590 HA 41 LEU HG 5.00 # w 1 8369.0 cormajan 586 HA 41 LEU QD1 5.40 ># 1M 20800.0 cormajan 589 HA 41 LEU QD2 4.40 <# 1M 58520.0 cormajan 588 HA 42 ASP- HN 3.00 # 2 178400.0 cormajan 916 HB2 41 LEU HG 3.50 # 1 80180.0 cormajan 570 HB2 41 LEU QD1 4.50 # 1M 48350.0 cormajan 578 HB2 41 LEU QD2 3.40 # s 1M 229900.0 cormajan 571 HB2 42 ASP- HN 5.00 # 2 12500.0 cormajan 913 HB3 41 LEU HG 3.20 # 1 114800.0 cormajan 566 HB3 41 LEU QD1 4.40 # 1M 55040.0 cormajan 582 HB3 41 LEU QD2 4.30 # 1M 66360.0 cormajan 574 HB3 42 ASP- HN 5.00 # w 2 6274.0 cormajan 915 HG 41 LEU QD1 3.90 # 1M 104700.0 cormajan 567 HG 41 LEU QD2 3.60 # 1M 145400.0 cormajan 569 HG 44 GLY HN 4.40 # 5 14650.0 cormajan1308 HG 49 ALA QB 4.70 # 5M 115500.0 cormajan1310 HG 50 ILE HN 4.90 # 5 9727.0 cormajan2160 HG 53 GLN HE22 5.00 # 5 8600.0 cormajan2469 QD1 42 ASP- HN 6.00 # w 5M 15240.0 cormajan2325 QD1 44 GLY HN 6.00 # w 5M 2154.0 cormajan2666 QD1 49 ALA QB 6.20 # m 5M 73890.0 cormajan2667 QD1 53 GLN HE21 6.00 # w 5M 27440.0 cormajan2773 QD2 42 ASP- HN 6.00 # w 5M 24370.0 cormajan 914 QD2 50 ILE HA 6.00 # w 5M 2439.0 cormajan2775 QD2 53 GLN HB2 6.00 # w 5M 6506.0 cormajan2453 QD2 53 GLN HE22 6.00 # w 5M 1323.0 cormajan2669 42 ASP- HN 42 ASP- HA 3.80 # 2 46980.0 cormajan 141 HN 42 ASP- QB 4.50 # i 2 45120.0*2 cormajan 140 HN 43 GLY HN 5.00 # w 2 10090.0 cormajan 923 HA 42 ASP- QB 4.70 # i 2 35890.0*2 cormajan 817 HA 43 GLY HN 3.50 # 2 77390.0 cormajan2671 QB 43 GLY HN 6.00 # m w 2 10470.0*2 cormajan 924 QB 58 LYS+ QZ 7.00 # mmw 5 3842.5*2*2 cormajan2564 43 GLY HN 43 GLY HA1 3.80 # 2 47990.0 cormajan 438 HN 43 GLY HA2 3.50 # 2 73900.0 cormajan 437 HN 44 GLY HN 3.60 # 2 63470.0 cormajan 929 HN 44 GLY HA2 5.00 # w 2 1889.0 cormajan 931 HN 49 ALA QB 6.00 # w 5M 3668.0 cormajan2512 HA1 44 GLY HN 4.30 # 2 25690.0 cormajan 928 HA1 49 ALA QB 6.00 ># w 5M 15780.0 cormajan1325 HA2 44 GLY HN 4.30 # 2 27130.0 cormajan 927 HA2 49 ALA QB 5.20 <# 5M 72670.0 cormajan1645 44 GLY HN 44 GLY HA2 3.80 # 2 53290.0 cormajan 242 HN 44 GLY HA1 3.60 # 2 69950.0 cormajan 241 HN 45 PHE HN 5.00 # w 2 4393.0 cormajan 933 HN 49 ALA QB 5.90 # 5M 44870.0 cormajan1326 HA2 46 ASN HD21 5.20 # w 5 3658.0 cormajan2161 HA2 46 ASN HD22 5.20 # w 5 5377.0 cormajan2162 HA1 45 PHE HN 3.90 # 2 44840.0 cormajan2375 HA1 46 ASN HD21 5.20 # w 5 2461.0 cormajan2436 45 PHE HN 45 PHE HB2 4.00 ># 2 37170.0 cormajan 162 HN 45 PHE HB3 3.50 <# 2 78150.0 cormajan 159 HN 46 ASN HN 5.00 # w 2 10570.0 cormajan 960 HN 46 ASN HD21 5.20 <# w 5 4116.0 cormajan1888 HN 46 ASN HD22 5.20 ># w 5 2044.0 cormajan2435 HB2 45 PHE CG 6.20 # r 1 31390.0*2 cormajan 820 HB3 45 PHE CG 6.30 # r 1 25875.0*2 cormajan 822 HB3 45 PHE CZ 7.00 # r w 1 737.0*2 cormajan1288 HB3 46 ASN HN 5.00 # 2 12760.0 cormajan 964 CG 45 PHE CZ 7.70 # rr 1 58125.0*2*2 cormajan 7 CG 45 PHE HZ 7.00 # r w 1 9575.0*2 cormajan 5 CG 81 TYR HA 7.00 # r w 5 951.0*2 cormajan2572 CG 81 TYR CG 9.00 # rrw 5 1392.0*2*2 cormajan2339 CG 81 TYR CZ 9.00 # rrw 5 1282.0*2*2 cormajan2335 CZ 45 PHE HZ 5.30 # r 1 101450.0*2 cormajan 4 CZ 81 TYR HA 6.40 # r 5 14475.0*2 cormajan1605 CZ 81 TYR CG 9.00 # rrw 5 2152.2*2*2 cormajan2337 CZ 81 TYR CZ 9.00 # rrw 5 2301.0*2*2 cormajan2341 CZ 84 ALA QB 8.00 # r 5M 41315.0*2 cormajan1328 CZ 85 ALA HN 7.00 # r w 5 3403.5*2 cormajan 854 CZ 85 ALA HA 7.00 # r w 5 3505.5*2 cormajan 856 CZ 85 ALA QB 8.00 # r w 5M 11370.0*2 cormajan1332 CZ 89 TRP HE1 7.00 # r w 5 184.5*2 cormajan2734 HZ 81 TYR HA 4.10 # 5 19730.0 cormajan1606 HZ 81 TYR CZ 7.00 # r w 5 2210.5*2 cormajan2489 HZ 84 ALA QB 5.50 # 5M 60790.0 cormajan1329 HZ 85 ALA HN 3.40 # 5 40750.0 cormajan 853 HZ 85 ALA HA 4.20 # 5 17820.0 cormajan 857 HZ 85 ALA QB 4.70 # 5M 113800.0 cormajan1333 46 ASN HN 46 ASN HA 4.30 # 2 27480.0 cormajan 653 HN 46 ASN HB2 5.00 ># w 2 9539.0 cormajan 652 HN 46 ASN HB3 4.40 <# 2 23960.0 cormajan 651 HN 46 ASN HD21 3.80 # 1 52080.0 cormajan 953 HN 46 ASN HD22 4.30 # 1 26620.0 cormajan 955 HN 47 ILE HN 5.00 # w 2 5418.0 cormajan 974 HN 49 ALA QB 4.60 # 3M 31140.0 cormajan2169 HN 50 ILE HB 5.00 # w 3 7336.0 cormajan2172 HN 81 TYR CG 7.00 # r w 5 249.0*2 cormajan2174 HN 81 TYR CZ 7.00 # r w 5 1247.5*2 cormajan2175 HA 46 ASN HB2 3.50 # 2 78860.0 cormajan 957 HA 46 ASN HB3 3.90 # 2 45950.0 cormajan 937 HA 46 ASN HD21 5.00 ># w 1 8010.0 cormajan 946 HA 46 ASN HD22 4.40 <# 1 25240.0 cormajan 949 HA 47 ILE HN 3.30 # 2 110300.0 cormajan 971 HA 81 TYR CG 7.00 # r w 5 4745.5*2 cormajan2176 HA 81 TYR CZ 5.80 # r 5 26210.0*2 cormajan2177 HB2 46 ASN HD21 3.50 # 1 76070.0 cormajan 947 HB2 46 ASN HD22 4.20 # 1 29180.0 cormajan 943 HB2 47 ILE HN 4.80 ># 2 15370.0 cormajan 972 HB2 48 GLU- HN 5.00 ># w 3 7951.0 cormajan2164 HB3 46 ASN HD21 4.20 # 1 30160.0 cormajan 948 HB3 46 ASN HD22 5.00 # w 1 10000.0 cormajan 938 HB3 47 ILE HN 4.10 <# 2 33900.0 cormajan 969 HB3 47 ILE HA 4.80 # 2 15770.0 cormajan 976 HB3 48 GLU- HN 5.00 <# w 3 20750.0 cormajan2163 HB3 49 ALA HN 5.00 # 3 38320.0 cormajan2170 HB3 50 ILE HN 5.00 # w 3 3749.0 cormajan2173 HD21 47 ILE HN 5.20 # w 5 2446.0 cormajan2333 47 ILE HN 47 ILE HA 3.70 # 2 56820.0 cormajan 475 HN 47 ILE HB 3.50 # 2 81560.0 cormajan 462 HN 47 ILE QG2 5.40 # 1M 19390.0 cormajan 674 HN 47 ILE QG1 6.00 # m 1 12325.0*2 cormajan 461 HN 47 ILE QD1 6.00 # w 1M 10350.0 cormajan 477 HN 81 TYR CG 7.00 # r w 5 1901.0*2 cormajan1356 HN 81 TYR CZ 7.00 # r w 5 4378.0*2 cormajan1357 HA 47 ILE HB 4.50 # 2 20860.0 cormajan 476 HA 47 ILE QG2 6.00 # w 1M 4912.0 cormajan 675 HA 47 ILE QG1 4.60 # i 1 39215.0*2 cormajan 465 HA 47 ILE QD1 4.50 # 1M 47560.0 cormajan 478 HA 49 ALA HN 5.00 # w 3 4787.0 cormajan2180 HA 50 ILE HN 5.00 # w 3 14490.0 cormajan1634 HA 50 ILE HB 5.00 # w 3 2995.0 cormajan1636 HA 50 ILE QG2 6.00 # 5M 40960.0 cormajan1884 HA 50 ILE QG1 5.60 # m 5 12410.0*2 cormajan1638 HA 51 VAL HN 5.00 # w 3 15260.0 cormajan1394 HA 77 ALA QB 6.00 # w 5M 7085.0 cormajan2182 HA 81 TYR CG 7.00 # r w 5 3484.0*2 cormajan1350 HB 47 ILE QG2 4.30 # 1M 65780.0 cormajan 968 HB 47 ILE QG1 5.60 # m 1 19905.0*2 cormajan 467 HB 47 ILE QD1 5.20 # 1M 23840.0 cormajan 967 HB 48 GLU- HN 4.10 # 2 35410.0 cormajan 984 QG2 47 ILE QG1 5.00 # m 1M 95250.0*2 cormajan 676 QG2 47 ILE QD1 6.00 # m 1M 29580.0 cormajan 677 QG2 48 GLU- HN 6.00 # w 5M 4758.0 cormajan 986 QG2 51 VAL HN 6.00 # w 5M 1087.0 cormajan2511 QG2 81 TYR CG 8.00 # r w 5M 2415.5*2 cormajan1349 QG2 81 TYR CZ 8.00 # r w 5M 726.0*2 cormajan2184 QG1 47 ILE QD1 4.70 # m 1M 134850.0*2 cormajan 469 QG1 48 GLU- HN 5.10 # m 5 18860.0*2 cormajan 982 QG1 48 GLU- HG2 6.00 ># m w 5 1494.0*2 cormajan2674 QG1 48 GLU- HG3 4.50 <# m 5 38810.0*2 cormajan 989 QG1 51 VAL HA 5.80 # m 5 10095.0*2 cormajan2181 QG1 74 ALA HA 6.00 # m w 5 2478.5*2 cormajan1762 QG1 78 ALA HN 6.00 # m w 5 1976.5*2 cormajan2183 QD1 77 ALA QB 7.00 # m w 5M 19110.0 cormajan1736 QD1 78 ALA HN 6.00 # w 5M 2808.0 cormajan2334 QD1 78 ALA HA 5.70 # 5M 51680.0 cormajan1749 QD1 78 ALA QB 7.00 # m w 5M 31300.0 cormajan1748 QD1 81 TYR HN 6.00 # w 5M 6574.0 cormajan1641 QD1 81 TYR HB2 6.00 # w 5M 17480.0 cormajan1644 QD1 81 TYR HB3 6.00 # w 5M 17620.0 cormajan1639 QD1 81 TYR CG 8.00 # r w 5M 9750.0*2 cormajan1348 48 GLU- HN 48 GLU- HA 3.80 # 2 52930.0 cormajan 153 HN 48 GLU- HB2 3.50 <# 2 77530.0 cormajan 150 HN 48 GLU- HB3 4.40 ># 2 24710.0 cormajan 149 HN 48 GLU- HG2 4.70 # 1 17100.0 cormajan 152 HN 48 GLU- HG3 4.20 # 1 31750.0 cormajan 155 HN 49 ALA HN 3.70 # 2 56960.0 cormajan 990 HN 50 ILE HN 5.00 # w 3 4786.0 cormajan2185 HA 48 GLU- HB2 3.60 # 2 62850.0 cormajan 122 HA 48 GLU- HB3 3.60 # 2 67910.0 cormajan 289 HA 48 GLU- HG2 4.00 # 1 38200.0 cormajan 292 HA 48 GLU- HG3 4.10 # 1 32380.0 cormajan 286 HA 49 ALA HN 5.00 # w 2 8773.0 cormajan 992 HA 51 VAL HN 5.00 # w 3 21460.0 cormajan1361 HA 51 VAL HB 4.50 # 3 66750.0 cormajan1365 HA 51 VAL QQG 7.40 # w 5M 10835.0*2 cormajan1366 HA 52 TYR HN 5.00 # w 3 7662.0 cormajan1603 HB2 48 GLU- HG2 3.20 # 1 122200.0 cormajan 124 HB2 48 GLU- HG3 3.00 # 1 167800.0 cormajan 119 HB2 49 ALA HN 4.20 # 2 32080.0 cormajan 995 HB3 48 GLU- HG2 3.40 # 1 83700.0 cormajan 291 HB3 48 GLU- HG3 3.60 # 1 65760.0 cormajan 287 HB3 49 ALA HN 4.60 # 2 18130.0 cormajan 994 49 ALA HN 49 ALA HA 4.20 # 2 30190.0 cormajan 842 HN 49 ALA QB 3.40 # s 2M 166000.0 cormajan 428 HN 50 ILE HN 3.50 # 2 72710.0 cormajan1120 HN 50 ILE HB 4.50 # 2 21650.0 cormajan2499 HN 51 VAL HN 5.00 # w 3 11480.0 cormajan2186 HN 52 TYR HN 5.00 # w 3 29670.0 cormajan2188 HA 49 ALA QB 3.40 # s 2M 115000.0 cormajan 430 HA 50 ILE HN 5.00 # w 2 11270.0 cormajan1117 HA 52 TYR HN 5.00 # w 3 5103.0 cormajan2675 HA 52 TYR QB 6.00 # m w 3 7595.0*2 cormajan1604 HA 53 GLN HN 5.00 # w 3 6873.0 cormajan2189 QB 50 ILE HN 3.70 # 2M 66230.0 cormajan1118 50 ILE HN 50 ILE HA 4.00 # 2 38060.0 cormajan 343 HN 50 ILE HB 3.30 # 2 104600.0 cormajan1111 HN 50 ILE QG2 4.20 # 1M 69120.0 cormajan 345 HN 50 ILE QG1 4.70 # m 1 56450.0*2 cormajan 350 HN 50 ILE QD1 5.40 # 1M 19220.0 cormajan1112 HN 51 VAL HN 3.50 # 2 75490.0 cormajan1124 HN 52 TYR HN 5.00 # w 3 15760.0 cormajan2190 HN 53 GLN HN 5.00 # w 3 1628.0 cormajan2192 HN 53 GLN HB2 5.00 # w 3 8258.0 cormajan2455 HN 77 ALA QB 6.00 # w 5M 1317.0 cormajan1729 HA 50 ILE HB 4.10 # 2 35060.0 cormajan1116 HA 50 ILE QG2 4.10 # 1M 80220.0 cormajan 353 HA 50 ILE QG1 5.60 # i w 1 11380.0*2 cormajan 351 HA 50 ILE QD1 5.50 # 1M 18260.0 cormajan 355 HA 51 VAL HN 4.40 # 2 23170.0 cormajan1128 HA 54 ILE HG13 5.20 # w 5 781.0 cormajan2193 HB 50 ILE QG2 3.40 # s 1M 495200.0 cormajan1113 HB 50 ILE QD1 6.00 # w 1M 11090.0 cormajan1114 HB 51 VAL HN 4.50 # 2 20590.0 cormajan1125 HB 77 ALA QB 6.00 # w 5M 6400.0 cormajan1727 HB 81 TYR CG 7.00 # r w 5 278.0*2 cormajan2676 QG2 50 ILE QG1 5.30 # m 1M 64000.0*2 cormajan 348 QG2 54 ILE QG2 7.00 # m w 5M 11160.0 cormajan2198 QG2 54 ILE HG13 6.00 # w 5M 13120.0 cormajan2197 QG2 77 ALA QB 4.80 # m 5M 269200.0 cormajan1723 QG2 81 TYR CG 8.00 # r w 5M 37495.0*2 cormajan1683 QG2 81 TYR CZ 8.00 # r w 5M 2330.0*2 cormajan1360 QG1 50 ILE QD1 5.70 # m 1M 39480.0*2 cormajan 349 QG1 51 VAL HN 4.90 # m 5 24215.0*2 cormajan1126 QG1 51 VAL HA 6.00 # m w 5 4529.5*2 cormajan1389 QG1 54 ILE HG13 6.00 # m w 5 1028.0*2 cormajan2195 QG1 54 ILE QD1 7.00 # m w 5M 1090.0*2 cormajan2194 QG1 77 ALA HA 6.00 # m w 5 1570.5*2 cormajan1720 QG1 77 ALA QB 7.00 # m w 5M 9070.0*2 cormajan1722 QD1 51 VAL HN 6.00 # w 5M 11940.0 cormajan1127 QD1 77 ALA HA 5.80 # 5M 47630.0 cormajan1719 QD1 77 ALA QB 5.30 # m 5M 155300.0 cormajan1726 QD1 81 TYR CG 8.00 # r w 5M 8925.0*2 cormajan1358 QD1 81 TYR CZ 8.00 # r w 5M 2265.5*2 cormajan1359 51 VAL HN 51 VAL HA 3.80 # 2 47420.0 cormajan 334 HN 51 VAL HB 3.20 # 2 120800.0 cormajan 333 HN 51 VAL QQG 5.90 # s 1M 74150.0*2 cormajan 340 HN 52 TYR HN 3.50 # 2 73530.0 cormajan1584 HN 53 GLN HN 4.50 # 3 65350.0 cormajan2199 HN 77 ALA QB 6.00 # w 5M 13690.0 cormajan1730 HA 51 VAL HB 5.00 # w 2 8698.0 cormajan 335 HA 51 VAL QQG 4.80 # i 1M 71850.0*2 cormajan 339 HA 52 TYR HN 4.60 # 2 19550.0 cormajan1583 HA 53 GLN HN 5.00 # w 3 14670.0 cormajan2270 HA 54 ILE HN 5.00 # w 3 12000.0 cormajan1384 HA 54 ILE HB 4.70 # 3 54940.0 cormajan1385 HA 54 ILE QG2 6.00 # w 5M 39500.0 cormajan1388 HA 54 ILE HG13 4.90 # 5 9579.0 cormajan1390 HA 73 ILE QD1 6.00 # w 5M 27620.0 cormajan1392 HA 77 ALA QB 6.00 # w 5M 23330.0 cormajan1731 HB 51 VAL QQG 5.10 # 1M 128300.0*2 cormajan 337 HB 52 TYR HN 3.60 # 2 66610.0 cormajan1582 HB 52 TYR QB 6.00 # m w 5 3752.0*2 cormajan1589 HB 77 ALA QB 6.00 # w 5M 5721.0 cormajan1734 QQG 52 TYR HN 7.40 # w 5M 21950.0*2 cormajan1588 QQG 53 GLN HN 7.40 # w 5M 2666.0*2 cormajan2321 QQG 55 GLU- HN 7.40 # w 5M 7430.0*2 cormajan2205 QQG 74 ALA HA 7.40 # w 5M 5120.0*2 cormajan2208 52 TYR HN 52 TYR HA 4.10 # 2 33640.0 cormajan1559 HN 52 TYR QB 4.10 # i 2 71300.0*2 cormajan1556 HN 52 TYR CG 7.00 # r w 1 6190.0*2 cormajan1578 HN 53 GLN HN 4.20 # 2 30690.0 cormajan1591 HA 52 TYR QB 5.60 # m 2 18970.0*2 cormajan1558 HA 52 TYR CG 6.00 # m w 1 11465.0*2 cormajan1576 HA 56 ASN HD21 4.90 # 5 9189.0 cormajan1623 HA 56 ASN HD22 5.20 # w 5 8043.0 cormajan1622 QB 52 TYR CG 7.20 # mr 1 30450.0*2*2 cormajan1577 QB 52 TYR CZ 8.00 # mrw 1 792.8*2*2 cormajan2274 CG 52 TYR CZ 8.10 # rr 1 35925.0*2*2 cormajan2273 CG 56 ASN HB2 7.00 # r w 5 910.5*2 cormajan2776 CG 56 ASN HB3 7.00 # r w 5 681.0*2 cormajan2701 CG 56 ASN HD21 7.00 ># r w 5 6045.0*2 cormajan2370 CG 56 ASN HD22 5.40 <# r 5 43170.0*2 cormajan2779 53 GLN HN 53 GLN HA 4.50 # 2 20960.0 cormajan1314 HN 53 GLN HB2 4.00 ># 2 37380.0 cormajan2445 HN 53 GLN HB3 3.30 <# 2 101900.0 cormajan1320 HN 53 GLN QG 5.90 # m 1 13575.0*2 cormajan1321 HN 54 ILE HN 3.40 # 2 82340.0 cormajan1593 HN 54 ILE HB 4.40 # 2 22950.0 cormajan1598 HN 54 ILE HG13 5.20 # w 5 4098.0 cormajan1597 HN 55 GLU- HN 5.00 # w 3 2522.0 cormajan2372 HN 57 GLY HN 5.00 # w 3 818.0 cormajan2209 HA 53 GLN HB2 5.00 ># w 2 3285.0 cormajan2447 HA 53 GLN HB3 3.50 <# 2 75120.0 cormajan1319 HA 53 GLN QG 5.20 # i 1 18380.0*2 cormajan1322 HA 54 ILE HN 5.00 # w 2 3414.0 cormajan1594 HA 56 ASN HN 5.00 # w 3 5369.0 cormajan1624 HA 58 LYS+ QB 6.00 # m w 5 6525.0*2 cormajan2210 HB2 53 GLN QG 5.30 ># m 1 25780.0*2 cormajan2449 HB2 53 GLN HE21 5.00 # w 1 4800.0 cormajan2462 HB2 53 GLN HE22 5.00 # w 1 2746.0 cormajan2461 HB2 54 ILE HN 5.00 # w 2 1566.0 cormajan2454 HB3 53 GLN QG 4.10 <# m 1 148500.0*2 cormajan1323 HB3 53 GLN HE21 5.00 # w 1 2508.0 cormajan2459 HB3 53 GLN HE22 5.00 # w 1 2682.0 cormajan2460 HB3 54 ILE HN 5.00 # w 2 1828.0 cormajan1595 HB3 54 ILE HA 5.00 # w 2 6372.0 cormajan1601 QG 53 GLN HE21 6.00 ># m w 1 1259.0*2 cormajan2458 QG 53 GLN HE22 6.00 <# m w 1 2667.0*2 cormajan2465 QG 58 LYS+ QB 7.00 # mmw 5 5430.0*2*2 cormajan2677 HE21 58 LYS+ QD 6.00 # m w 5 1496.5*2 cormajan2680 HE22 58 LYS+ QB 6.00 # m w 5 3070.0*2 cormajan2466 HE22 58 LYS+ QD 6.00 # m w 5 1184.0*2 cormajan2682 HE22 58 LYS+ QE 6.00 # m w 5 408.5*2 cormajan2684 54 ILE HN 54 ILE HA 4.80 # 2 15190.0 cormajan1367 HN 54 ILE HB 3.40 # 2 82420.0 cormajan 698 HN 54 ILE QG2 6.00 # w 1M 5212.0 cormajan 696 HN 54 ILE HG12 3.90 <# 1 43900.0 cormajan1368 HN 54 ILE HG13 5.00 ># w 1 7720.0 cormajan 697 HN 54 ILE QD1 6.00 # w 1M 6863.0 cormajan1369 HN 55 GLU- HN 4.20 # 2 30800.0 cormajan2212 HA 54 ILE HG13 4.90 # 1 14050.0 cormajan1380 HA 54 ILE QD1 6.00 # w 1M 6977.0 cormajan1376 HA 55 GLU- HN 5.00 # w 2 3677.0 cormajan2211 HA 64 TRP HD1 5.20 # w 5 4020.0 cormajan2309 HB 54 ILE QG2 4.30 # 1M 60120.0 cormajan 704 HB 54 ILE HG13 3.30 # 1 110600.0 cormajan 703 HB 54 ILE QD1 6.00 # w 1M 5905.0 cormajan1370 HB 73 ILE QD1 6.00 # w 5M 25820.0 cormajan2218 HB 77 ALA QB 6.00 # w 5M 10460.0 cormajan1746 QG2 54 ILE HG12 4.60 # 1M 43480.0 cormajan1374 QG2 54 ILE QD1 5.50 # m 1M 47850.0 cormajan1373 QG2 64 TRP HB3 6.00 # w 5M 7829.0 cormajan1441 QG2 68 LEU QD1 7.00 # m w 5M 6997.0 cormajan2685 QG2 68 LEU QD2 7.00 # m w 5M 9531.0 cormajan2542 QG2 73 ILE QG2 7.00 # m w 5M 5327.0 cormajan2687 QG2 73 ILE QD1 7.00 # m w 5M 23400.0 cormajan2689 QG2 76 VAL QG2 7.00 # m w 5M 6757.0 cormajan2540 QG2 77 ALA HN 6.00 # w 5M 11150.0 cormajan1739 QG2 77 ALA HA 6.00 # w 5M 21430.0 cormajan1743 QG2 77 ALA QB 6.20 # m 5M 73910.0 cormajan1741 HG12 54 ILE QD1 3.80 # 1M 114800.0 cormajan1377 HG12 68 LEU HG 4.90 # 5 9686.0 cormajan2216 HG13 54 ILE QD1 4.40 # 1M 58740.0 cormajan1378 HG13 64 TRP HN 5.20 # w 5 3938.0 cormajan1440 HG13 64 TRP HB2 3.10 # 5 62050.0 cormajan1437 HG13 64 TRP HB3 3.30 # 5 47600.0 cormajan1436 HG13 64 TRP HE3 5.20 # w 5 1979.0 cormajan2214 HG13 73 ILE QD1 4.50 # 5M 132200.0 cormajan2221 QD1 68 LEU HG 6.00 # w 5M 12390.0 cormajan2217 QD1 76 VAL QG2 7.00 # m w 5M 18660.0 cormajan1799 55 GLU- HN 55 GLU- QB 5.50 # i 2 13355.0*2 cormajan 441 HN 55 GLU- QG 5.40 # m 1 23595.0*2 cormajan 442 HN 56 ASN HN 5.00 # w 2 7408.0 cormajan2692 HN 64 TRP HN 5.00 # w 4 1378.0 cormajan2694 HA 55 GLU- QB 6.00 # m w 2 2340.0*2 cormajan2203 HA 55 GLU- QG 5.60 # i w 1 2406.0*2 cormajan2204 HA 65 ASP- HN 4.90 # 4 7288.0 cormajan2695 HA 65 ASP- HB3 5.20 # w 5 1644.0 cormajan2697 QB 55 GLU- QG 6.40 # mm 1 24840.0*2*2 cormajan2201 QB 56 ASN HN 5.50 # m 2 21625.0*2 cormajan1631 QB 56 ASN HD21 6.00 # m w 5 6415.0*2 cormajan1629 QB 56 ASN HD22 6.00 # m w 5 7160.0*2 cormajan1628 QB 65 ASP- HN 6.00 # m w 5 4618.5*2 cormajan2222 QB 65 ASP- HB3 6.00 # m w 5 1715.0*2 cormajan2699 QG 65 ASP- HA 6.00 # m w 5 4041.0*2 cormajan2700 QG 65 ASP- HB2 4.20 # m 5 55450.0*2 cormajan2224 QG 73 ILE QG2 7.00 # m w 5M 4534.5*2 cormajan2227 QG 73 ILE QD1 7.00 # m w 5M 7460.0*2 cormajan2225 56 ASN HN 56 ASN HA 5.00 # w 2 5982.0 cormajan1610 HN 56 ASN HB2 5.00 ># w 2 7094.0 cormajan1611 HN 56 ASN HB3 4.20 <# 2 31360.0 cormajan1612 HN 56 ASN HD21 5.00 # 1 12950.0 cormajan1616 HN 57 GLY HN 4.10 # 2 35680.0 cormajan1923 HN 58 LYS+ HN 5.00 # w 3 971.0 cormajan2374 HA 56 ASN HB3 3.60 # 2 69880.0 cormajan1619 HB3 56 ASN HD21 3.40 # 1 91540.0 cormajan1602 HB3 56 ASN HD22 4.10 # 1 34420.0 cormajan1613 57 GLY HN 57 GLY HA1 4.00 # 2 40420.0 cormajan1530 HN 57 GLY HA2 4.10 # 2 34070.0 cormajan1529 HN 58 LYS+ HN 4.90 # 2 13970.0 cormajan1914 HN 63 ALA HA 3.80 # 4 25800.0 cormajan1924 HN 64 TRP HN 5.00 # w 4 873.0 cormajan1926 HA1 58 LYS+ HN 5.00 # w 2 10910.0 cormajan1911 HA1 63 ALA QB 6.00 # w 5M 1350.0 cormajan1925 HA2 58 LYS+ HN 4.50 # 2 21040.0 cormajan1910 58 LYS+ HN 58 LYS+ HA 5.00 # w 2 4081.0 cormajan1893 HN 58 LYS+ QB 5.60 # i w 2 733.0*2 cormajan1894 HN 59 GLY HN 5.00 # w 2 10270.0 cormajan1916 HN 61 MET HN 5.00 # w 3 4839.0 cormajan2255 HN 61 MET HG2 3.00 # w 5 2173.0 cormajan2824 HA 58 LYS+ QB 6.00 # m w 2 9175.0*2 cormajan1896 HA 58 LYS+ QG 5.30 # i 1 16400.0*2 cormajan1897 HA 58 LYS+ QE 5.60 # m 1 19295.0*2 cormajan1895 HA 59 GLY HN 3.20 # 2 127900.0 cormajan1918 QB 58 LYS+ QG 6.80 # mm 1 14902.5*2*2 cormajan1901 QB 58 LYS+ QD 6.50 # mm 1 21860.0*2*2 cormajan1902 QB 58 LYS+ QE 7.00 # mmw 1 8545.0*2*2 cormajan1907 QG 58 LYS+ QD 6.60 # mm 1 18745.0*2*2 cormajan1909 QG 58 LYS+ QE 7.00 # mm 1 12847.5*2*2 cormajan1900 QG 59 GLY HN 5.90 # m 5 9455.0*2 cormajan1919 QD 58 LYS+ QE 7.00 # mmw 1 6497.5*2*2 cormajan1899 QD 59 GLY HN 6.00 # m w 5 891.0*2 cormajan2780 59 GLY HN 59 GLY HA2 3.70 # 2 59920.0 cormajan 501 HN 59 GLY HA1 3.20 # 2 117900.0 cormajan1633 HN 60 ALA HN 4.40 # 2 16550.0 cormajan1892 HA2 60 ALA HN 4.80 ># 2 15900.0 cormajan2703 HA1 60 ALA HN 4.00 <# 2 39420.0 cormajan1889 HA1 60 ALA QB 6.00 # w 2M 2688.0 cormajan2228 60 ALA HN 60 ALA HA 4.30 # 2 25940.0 cormajan 691 HN 60 ALA QB 4.00 # 2M 46720.0 cormajan 690 HN 61 MET HN 5.00 # w 2 10440.0 cormajan1928 HA 60 ALA QB 3.40 # s 2M 102700.0 cormajan 692 HA 61 MET HN 5.00 # 2 12630.0 cormajan1927 61 MET HG2 64 TRP HE1 4.00 # w 5 1034.0 cormajan2826 62 PRO HA 62 PRO QG 5.60 # i w 1 4346.0*2 cormajan1646 HA 63 ALA HN 4.00 # 2 40180.0 cormajan1651 HB2 62 PRO QG 5.00 # m 1 40870.0*2 cormajan1648 HB3 62 PRO QG 4.60 # m 1 69850.0*2 cormajan1647 HB3 63 ALA HN 5.00 # w 2 10590.0 cormajan1652 HB3 64 TRP HZ3 5.20 # w 5 957.0 cormajan2557 QG 63 ALA HN 6.00 # m w 5 5705.0*2 cormajan1653 QG 64 TRP HZ2 6.00 # m w 5 637.0*2 cormajan2781 63 ALA HN 63 ALA HA 5.00 # w 2 2629.0 cormajan1535 HN 63 ALA QB 4.10 # 2M 42260.0 cormajan1537 HA 63 ALA QB 3.40 # s 2M 101400.0 cormajan1536 HA 64 TRP HN 3.20 # 2 111500.0 cormajan2258 HA 64 TRP HD1 5.20 # w 5 499.0 cormajan2294 HA 65 ASP- HN 5.00 # w 3 9643.0 cormajan2229 QB 64 TRP HN 4.70 # 2M 20850.0 cormajan1435 QB 65 ASP- HN 5.20 # 3M 16640.0 cormajan2230 64 TRP HN 64 TRP HA 4.60 # 2 18320.0 cormajan 507 HN 64 TRP HB2 4.00 <# 2 37940.0 cormajan 506 HN 64 TRP HB3 4.90 ># 2 13320.0 cormajan1242 HN 64 TRP HD1 5.00 # w 1 11120.0 cormajan2286 HN 65 ASP- HN 3.60 # 2 70380.0 cormajan1401 HA 64 TRP HB2 4.10 # 2 34240.0 cormajan 512 HA 64 TRP HB3 3.70 # 2 59400.0 cormajan 509 HA 64 TRP HD1 5.00 # w 1 3019.0 cormajan2290 HA 64 TRP HE3 4.70 # 1 17290.0 cormajan1409 HA 65 ASP- HN 4.90 # 2 14270.0 cormajan1400 HA 67 ARG+ HN 5.00 # w 3 13160.0 cormajan1442 HA 67 ARG+ HB2 5.00 # w 3 20970.0 cormajan1443 HA 67 ARG+ HB3 5.00 # w 3 35770.0 cormajan1444 HB2 64 TRP HD1 3.70 <# 1 57200.0 cormajan2289 HB2 64 TRP HE3 4.80 ># 1 14750.0 cormajan1411 HB2 65 ASP- HN 4.80 # 2 15100.0 cormajan1406 HB2 67 ARG+ HN 5.00 # w 3 3540.0 cormajan1445 HB2 68 LEU HG 4.40 ># 5 14980.0 cormajan1448 HB3 64 TRP HD1 5.00 ># w 1 2689.0 cormajan2343 HB3 64 TRP HE3 4.00 <# 1 37170.0 cormajan1410 HB3 65 ASP- HN 5.00 # w 2 8235.0 cormajan1403 HB3 68 LEU HB3 4.30 # 5 16590.0 cormajan1450 HB3 68 LEU HG 3.10 <# 5 64270.0 cormajan1449 HB3 73 ILE HG13 4.50 # 5 12710.0 cormajan2232 HD1 64 TRP HE1 5.00 # w 1 2621.0 cormajan2287 HE3 64 TRP HZ3 3.50 # 1 78790.0 cormajan1408 HE3 64 TRP HH2 3.80 # 1 47850.0 cormajan2291 HE3 67 ARG+ HB2 3.90 # 5 23940.0 cormajan1421 HE3 67 ARG+ HB3 3.40 # 5 41800.0 cormajan1422 HE3 67 ARG+ QG 6.00 # m w 5 3935.0*2 cormajan1427 HE3 67 ARG+ HD3 5.20 # w 5 4955.0 cormajan1420 HE3 68 LEU HB2 3.70 # 5 29760.0 cormajan1431 HE3 68 LEU HG 3.70 # 5 30440.0 cormajan1429 HE3 68 LEU QD2 6.00 # w 5M 15200.0 cormajan1430 HE1 64 TRP HZ2 4.40 # 1 24350.0 cormajan2288 HZ3 64 TRP HZ2 3.40 # 1 83250.0 cormajan2275 HZ2 64 TRP HH2 3.40 # 1 90090.0 cormajan1419 65 ASP- HN 65 ASP- HA 4.30 # 2 25960.0 cormajan 826 HN 65 ASP- HB2 3.60 # 2 63010.0 cormajan 825 HN 65 ASP- HB3 3.90 # 2 42240.0 cormajan 824 HN 66 GLY HN 4.60 # 2 19140.0 cormajan1302 HA 65 ASP- HB2 3.60 # 2 69660.0 cormajan 830 HA 65 ASP- HB3 3.90 # 2 42340.0 cormajan 831 HA 66 GLY HN 3.10 # 2 139000.0 cormajan1299 HA 67 ARG+ HN 5.00 # w 3 8008.0 cormajan2233 HA 68 LEU HB2 5.00 # w 3 12470.0 cormajan2234 HA 73 ILE QD1 6.00 # w 5M 25860.0 cormajan2235 HB3 66 GLY HN 5.00 # w 2 7476.0 cormajan1303 66 GLY HN 66 GLY HA1 4.00 # 2 37830.0 cormajan 145 HN 66 GLY HA2 3.50 # 2 72120.0 cormajan 144 HN 67 ARG+ HN 4.40 # 2 23170.0 cormajan1034 HN 67 ARG+ HB3 5.00 # w 2 3954.0 cormajan1989 HN 67 ARG+ QG 6.00 # m w 5 409.0*2 cormajan1599 HN 68 LEU HN 5.00 # w 3 6696.0 cormajan2705 HN 73 ILE QD1 6.00 # w 5M 6464.0 cormajan2236 HA1 67 ARG+ HN 5.00 # 2 12680.0 cormajan1032 HA2 67 ARG+ HN 5.00 # w 2 7887.0 cormajan1031 67 ARG+ HN 67 ARG+ HA 4.20 # 2 30580.0 cormajan 215 HN 67 ARG+ HB2 4.40 ># 2 24210.0 cormajan 214 HN 67 ARG+ HB3 3.70 <# 2 61230.0 cormajan 213 HN 67 ARG+ QG 5.20 # m 1 28950.0*2 cormajan 212 HN 67 ARG+ HD2 5.00 # w 1 4550.0 cormajan1029 HN 68 LEU HN 3.00 # 2 160300.0 cormajan1045 HN 68 LEU HG 5.20 # w 5 493.0 cormajan1050 HA 67 ARG+ HB2 3.60 # 2 62200.0 cormajan 100 HA 67 ARG+ HB3 3.90 # 2 43390.0 cormajan 101 HA 67 ARG+ QG 4.90 # i 1 26520.0*2 cormajan 102 HA 68 LEU HN 5.00 # w 2 7059.0 cormajan1046 HB2 67 ARG+ QG 4.80 ># m 1 48760.0*2 cormajan 99 HB2 67 ARG+ HD3 5.00 # w 1 10660.0 cormajan 96 HB2 67 ARG+ HE 5.00 <# w 1 9067.0 cormajan 713 HB2 68 LEU HN 5.00 ># 2 12510.0 cormajan1047 HB3 67 ARG+ QG 4.20 <# m 1 128550.0*2 cormajan 109 HB3 67 ARG+ HD3 4.70 # 1 17500.0 cormajan 97 HB3 67 ARG+ HE 5.00 ># w 1 4484.0 cormajan2331 HB3 68 LEU HN 4.20 <# 2 28690.0 cormajan1048 QG 67 ARG+ HD2 5.30 # m 1 25760.0*2 cormajan 714 QG 67 ARG+ HD3 5.50 # m 1 20250.0*2 cormajan 98 QG 67 ARG+ HE 6.00 # m w 1 8590.0*2 cormajan 226 HD3 67 ARG+ HE 5.00 # w 1 11280.0 cormajan1030 68 LEU HN 68 LEU HA 3.50 # 2 71320.0 cormajan 849 HN 68 LEU HB3 4.20 # 2 30340.0 cormajan 769 HN 68 LEU HB2 4.00 # 2 37040.0 cormajan1040 HN 68 LEU HG 5.00 # w 1 5635.0 cormajan1699 HN 68 LEU QD1 6.00 # w 1M 8768.0 cormajan 768 HN 68 LEU QD2 6.00 # w 1M 10340.0 cormajan 758 HA 68 LEU HB3 4.10 <# 2 33020.0 cormajan 847 HA 68 LEU HB2 5.00 ># w 2 10630.0 cormajan 846 HA 68 LEU HG 5.00 # w 1 3006.0 cormajan 843 HA 68 LEU QD1 4.70 ># 1M 40290.0 cormajan 848 HA 68 LEU QD2 4.00 <# 1M 87700.0 cormajan 845 HA 69 ASP- HN 3.80 # 2 50330.0 cormajan1060 HB3 68 LEU HG 4.00 ># 1 41170.0 cormajan 774 HB3 68 LEU QD2 4.70 # 1M 39350.0 cormajan1042 HB3 69 ASP- HN 5.00 <# w 2 6812.0 cormajan1061 HB3 73 ILE QD1 6.00 # w 5M 22580.0 cormajan2711 HB2 68 LEU HG 3.20 <# 1 114500.0 cormajan 777 HB2 68 LEU QD2 4.20 # 1M 74400.0 cormajan1039 HB2 69 ASP- HN 5.00 ># w 2 1752.0 cormajan2707 HB2 72 GLU- QB 6.00 # m w 5 6935.0*2 cormajan2238 HB2 73 ILE QD1 6.00 # w 5M 37660.0 cormajan2709 HG 68 LEU QD1 4.60 ># 1M 45550.0 cormajan 775 HG 68 LEU QD2 3.60 <# 1M 153800.0 cormajan 767 HG 76 VAL QG1 6.00 # w 5M 30420.0 cormajan1801 QD1 69 ASP- HN 6.00 <# w 5M 21210.0 cormajan1062 QD1 73 ILE QD1 7.00 # m w 5M 22700.0 cormajan2713 QD1 76 VAL QG1 7.00 # m w 5M 1668.0 cormajan2715 QD2 69 ASP- HN 6.00 ># w 5M 9848.0 cormajan1065 69 ASP- HN 69 ASP- HA 4.00 # 2 40890.0 cormajan1051 HN 69 ASP- HB2 4.50 ># 2 21100.0 cormajan1052 HN 69 ASP- HB3 3.80 <# 2 47770.0 cormajan1053 HN 70 GLU- HN 5.00 # w 2 6633.0 cormajan1067 HN 71 ASP- HN 5.00 # w 3 8675.0 cormajan2298 HN 72 GLU- QB 6.00 # m w 3 455.0*2 cormajan2582 HA 69 ASP- HB2 3.50 <# 2 75860.0 cormajan1057 HA 69 ASP- HB3 4.80 ># 2 15710.0 cormajan1058 HA 70 GLU- HN 5.00 # w 2 4239.0 cormajan1068 HB2 70 GLU- HN 5.00 # w 2 1975.0 cormajan2818 HB2 71 ASP- HN 4.50 <# 3 66810.0 cormajan2241 HB2 72 GLU- HN 5.00 <# w 3 4836.0 cormajan2240 HB2 72 GLU- QB 5.60 # m 5 12650.0*2 cormajan2783 HB3 70 GLU- HN 5.00 # w 2 2542.0 cormajan2784 HB3 71 ASP- HN 5.00 ># w 3 4169.0 cormajan2786 HB3 72 GLU- HN 5.00 ># w 3 739.0 cormajan2716 HB3 72 GLU- QB 5.80 # m 5 10105.0*2 cormajan2718 70 GLU- HN 70 GLU- HA 4.60 # 2 19160.0 cormajan 603 HN 70 GLU- HB2 3.90 <# 2 42920.0 cormajan 609 HN 70 GLU- HB3 4.60 ># 2 20060.0 cormajan 608 HN 70 GLU- QG 6.00 # m w 1 5335.0*2 cormajan 617 HN 71 ASP- HN 5.00 # w 2 8626.0 cormajan2720 HA 70 GLU- HB2 5.00 ># w 2 3501.0 cormajan 604 HA 70 GLU- HB3 5.00 <# w 2 7857.0 cormajan 611 HA 70 GLU- QG 5.50 # i 1 13775.0*2 cormajan 612 HA 73 ILE HN 5.00 # w 3 24050.0 cormajan1886 HA 73 ILE QG2 6.00 # w 5M 10930.0 cormajan2808 HA 74 ALA QB 6.00 # w 3M 3945.0 cormajan2811 HB2 70 GLU- QG 4.40 <# m 1 83750.0*2 cormajan 614 HB3 70 GLU- QG 5.40 ># m 1 23685.0*2 cormajan 616 71 ASP- HN 71 ASP- HA 4.10 # 2 33670.0 cormajan 490 HN 71 ASP- HB2 4.80 ># 2 15640.0 cormajan 491 HN 71 ASP- HB3 3.80 <# 2 52300.0 cormajan 492 HN 72 GLU- HN 4.00 # 2 37810.0 cormajan1074 HN 73 ILE HN 5.00 # w 3 4027.0 cormajan2723 HN 74 ALA QB 6.00 # w 3M 2556.0 cormajan2804 HA 71 ASP- HB2 4.00 ># 2 36720.0 cormajan 496 HA 71 ASP- HB3 3.40 <# 2 89140.0 cormajan 497 HA 72 GLU- HN 5.00 # w 2 11430.0 cormajan1076 HB2 72 GLU- HN 5.00 ># w 2 7216.0 cormajan1077 HB2 74 ALA QB 6.00 # w 5M 3899.0 cormajan2807 HB3 72 GLU- HN 3.80 <# 2 50420.0 cormajan1078 72 GLU- HN 72 GLU- HA 4.30 # 2 27870.0 cormajan 631 HN 72 GLU- QB 4.70 # i 2 35725.0*2 cormajan 634 HN 72 GLU- QG 5.70 # m 1 16430.0*2 cormajan 633 HN 73 ILE HN 3.10 # 2 136300.0 cormajan1073 HA 72 GLU- QB 5.10 # m 2 34705.0*2 cormajan 635 HA 72 GLU- QG 4.30 # i 1 58250.0*2 cormajan 638 HA 73 ILE HN 4.80 # 2 15800.0 cormajan1072 HA 74 ALA HN 5.00 # w 3 4843.0 cormajan2297 HA 75 GLY HN 5.00 # w 3 1329.0 cormajan2484 QB 72 GLU- QG 5.10 # mm 1 152950.0*2*2 cormajan 637 QB 73 ILE HN 5.70 # m 2 16740.0*2 cormajan2420 QB 76 VAL HA 6.00 # m w 3 6000.0*2 cormajan2295 QB 76 VAL HB 6.00 # m w 5 1023.0*2 cormajan2820 QG 75 GLY HA2 6.00 # m w 5 347.5*2 cormajan2724 73 ILE HN 73 ILE HA 4.00 # 2 40860.0 cormajan 529 HN 73 ILE HB 3.50 # 2 72340.0 cormajan 528 HN 73 ILE QG2 5.10 # 1M 26390.0 cormajan 525 HN 73 ILE HG12 3.70 # 1 57160.0 cormajan 527 HN 73 ILE HG13 3.80 # 1 48130.0 cormajan 526 HN 73 ILE QD1 5.40 # 1M 19690.0 cormajan 524 HN 74 ALA HN 4.40 # 2 23260.0 cormajan2789 HN 76 VAL QG1 6.00 # w 5M 817.0 cormajan2243 HA 73 ILE HB 3.40 # 2 88480.0 cormajan 540 HA 73 ILE QG2 6.00 # w 1M 4956.0 cormajan 551 HA 73 ILE HG12 4.60 # 1 20120.0 cormajan 541 HA 73 ILE HG13 4.10 # 1 35320.0 cormajan 542 HA 73 ILE QD1 4.10 # 1M 80310.0 cormajan 552 HA 74 ALA HN 5.00 # w 2 8755.0 cormajan1757 HA 76 VAL QG2 6.00 # w 5M 288.0 cormajan2244 HB 73 ILE QG2 4.80 # 1M 36320.0 cormajan1069 HB 73 ILE HG13 2.50 # 1 382700.0 cormajan 538 HB 73 ILE QD1 4.40 # 1M 53500.0 cormajan 564 HB 74 ALA HN 3.70 # 2 55870.0 cormajan1758 QG2 73 ILE HG13 4.20 # 1M 73250.0 cormajan1070 QG2 74 ALA HN 6.00 # w 5M 6877.0 cormajan2727 HG12 73 ILE QD1 4.20 # 1M 69020.0 cormajan 536 HG13 73 ILE QD1 4.30 # 1M 59680.0 cormajan 537 74 ALA HN 74 ALA HA 4.10 # 2 34620.0 cormajan 598 HN 74 ALA QB 3.40 # s 2M 106500.0 cormajan 597 HN 75 GLY HN 3.10 # 2 151300.0 cormajan1765 HA 74 ALA QB 3.40 # s 2M 117500.0 cormajan 602 HA 75 GLY HN 5.00 # w 2 11350.0 cormajan1764 HA 76 VAL HN 5.00 # w 3 6019.0 cormajan2245 HA 77 ALA QB 4.60 # 3M 31140.0 cormajan2246 HA 78 ALA HN 5.00 # w 3 10180.0 cormajan2249 QB 75 GLY HN 4.20 # 2M 36260.0 cormajan1763 75 GLY HN 75 GLY HA1 4.30 # 2 28240.0 cormajan 329 HN 75 GLY HA2 3.70 # 2 55110.0 cormajan 328 HN 76 VAL HN 3.60 # 2 66560.0 cormajan1785 HA1 77 ALA HN 5.00 # w 3 2531.0 cormajan2250 HA1 78 ALA HN 4.80 # 3 46380.0 cormajan2252 HA1 78 ALA QB 5.60 # 3M 11350.0 cormajan2251 HA1 79 TYR HN 5.00 # w 3 3809.0 cormajan2254 HA2 76 VAL HN 4.70 # 2 17880.0 cormajan1783 HA2 79 TYR HN 5.00 # w 3 2749.0 cormajan2253 76 VAL HN 76 VAL HA 5.00 # 2 12640.0 cormajan1548 HN 76 VAL HB 3.60 # 2 70570.0 cormajan1770 HN 76 VAL QG1 5.60 ># 1M 16440.0 cormajan1549 HN 76 VAL QG2 4.50 <# 1M 50950.0 cormajan1769 HN 77 ALA HN 3.90 # 2 46200.0 cormajan1790 HA 76 VAL HB 4.50 # 2 21570.0 cormajan1781 HA 76 VAL QG1 4.80 # 1M 35910.0 cormajan1550 HA 76 VAL QG2 5.40 # 1M 19340.0 cormajan1771 HA 77 ALA HN 5.00 # w 2 11430.0 cormajan1787 HA 79 TYR HN 5.00 # w 3 29190.0 cormajan1819 HA 79 TYR QB 6.00 # m w 3 11030.0*2 cormajan1821 HB 76 VAL QG1 4.90 ># 1M 31100.0 cormajan1774 HB 76 VAL QG2 4.20 <# 1M 67030.0 cormajan1773 HB 77 ALA HN 5.00 # w 2 1915.0 cormajan1788 QG1 77 ALA HN 6.00 ># w 5M 7641.0 cormajan1789 QG1 77 ALA QB 7.00 # m w 5M 2811.0 cormajan2823 QG1 80 VAL HN 6.00 ># w 5M 3926.0 cormajan1803 QG2 77 ALA HN 6.00 <# 5M 41560.0 cormajan2401 QG2 77 ALA HA 6.00 # w 5M 11000.0 cormajan1794 QG2 80 VAL HN 6.00 <# w 5M 13280.0 cormajan1804 77 ALA HN 77 ALA HA 4.20 # 2 30030.0 cormajan1705 HN 77 ALA QB 3.50 # 2M 83850.0 cormajan1704 HN 78 ALA HN 3.80 # 2 48160.0 cormajan1712 HN 78 ALA HA 5.00 # w 2 7424.0 cormajan1711 HN 78 ALA QB 6.00 # w 2M 5086.0 cormajan1710 HA 77 ALA QB 3.60 # 2M 78170.0 cormajan1707 HA 78 ALA HN 5.00 # w 2 6178.0 cormajan1714 HA 79 TYR HN 5.00 # w 3 3890.0 cormajan2264 HA 80 VAL HB 5.00 # w 3 3272.0 cormajan1738 HA 80 VAL QG1 6.00 # w 5M 6007.0 cormajan1737 QB 78 ALA HN 4.10 # 2M 38840.0 cormajan1715 78 ALA HN 78 ALA HA 4.10 # 2 32210.0 cormajan 455 HN 78 ALA QB 3.40 # s 2M 102700.0 cormajan 454 HN 79 TYR HN 3.70 # 2 58950.0 cormajan1808 HN 80 VAL HN 5.00 # w 3 28050.0 cormajan2266 HA 78 ALA QB 3.40 # s 2M 132200.0 cormajan 458 HA 79 TYR HN 5.00 # w 2 7803.0 cormajan1811 HA 81 TYR HN 5.00 # w 3 8641.0 cormajan1751 HA 81 TYR HB2 5.00 <# w 3 26860.0 cormajan1752 HA 81 TYR HB3 5.00 ># w 3 4723.0 cormajan1755 HA 81 TYR CG 7.00 # r w 5 2684.5*2 cormajan2481 HA 82 ASP- HN 5.00 # w 3 4468.0 cormajan2267 QB 79 TYR HN 4.20 # 2M 36570.0 cormajan1809 QB 82 ASP- HN 5.90 # 3M 8343.0 cormajan2268 79 TYR HN 79 TYR HA 5.00 # 2 12890.0 cormajan 836 HN 79 TYR QB 4.70 # i 2 32125.0*2 cormajan 837 HN 79 TYR CG 7.00 # r w 1 798.0*2 cormajan2278 HN 80 VAL QG1 6.00 # w 5M 12890.0 cormajan1817 HA 79 TYR QB 5.50 # m 2 21970.0*2 cormajan 840 HA 80 VAL HN 5.00 # 2 12920.0 cormajan1813 HA 82 ASP- HN 5.00 # w 3 9210.0 cormajan2269 QB 80 VAL HN 6.00 # m w 2 10730.0*2 cormajan1816 CG 79 TYR CZ 7.10 # rr 1 138775.0*2*2 cormajan2276 CG 80 VAL QG2 8.00 # r w 5M 2701.0*2 cormajan2285 80 VAL HN 80 VAL HA 4.00 # 2 39410.0 cormajan1199 HN 80 VAL HB 4.40 # 2 22730.0 cormajan1196 HN 80 VAL QG2 6.00 ># 1M 11920.0 cormajan1197 HN 80 VAL QG1 4.60 <# 1M 45620.0 cormajan1198 HN 89 TRP HZ2 5.20 # w 5 6617.0 cormajan1204 HA 80 VAL HB 2.60 # 2 326900.0 cormajan 445 HA 80 VAL QG2 4.90 # 1M 31480.0 cormajan 705 HA 80 VAL QG1 4.70 # 1M 41720.0 cormajan 706 HA 83 GLN HB2 5.00 # w 3 11500.0 cormajan1395 HA 83 GLN HG2 5.20 # w 5 5494.0 cormajan1396 HA 83 GLN HG3 5.20 # w 5 6284.0 cormajan1343 HA 84 ALA HN 5.00 # w 3 814.0 cormajan2403 HA 89 TRP HE1 5.20 # w 5 598.0 cormajan2580 HA 89 TRP HZ3 5.20 # w 5 1098.0 cormajan2568 HA 89 TRP HZ2 3.20 # 5 51620.0 cormajan1208 HA 89 TRP HH2 5.20 # w 5 7819.0 cormajan1209 QG2 81 TYR HN 6.00 # w 5M 10720.0 cormajan1226 QG2 89 TRP HE1 6.00 # w 5M 4023.0 cormajan1203 QG2 89 TRP HZ2 6.00 # w 5M 17210.0 cormajan1212 QG2 89 TRP HH2 6.00 ># w 5M 6093.0 cormajan1215 QG1 81 TYR HN 6.00 # w 5M 11690.0 cormajan1225 QG1 89 TRP HZ3 6.00 # w 5M 2529.0 cormajan2551 QG1 89 TRP HZ2 6.00 # w 5M 13870.0 cormajan1213 QG1 89 TRP HH2 6.00 <# w 5M 13180.0 cormajan1206 81 TYR HN 81 TYR HA 4.30 # 2 27080.0 cormajan 662 HN 81 TYR HB2 4.20 ># 2 29780.0 cormajan 432 HN 81 TYR HB3 3.50 <# 2 75450.0 cormajan 664 HN 81 TYR CG 7.00 # r w 1 3757.5*2 cormajan1096 HA 81 TYR HB2 4.90 ># 2 14390.0 cormajan 666 HA 81 TYR HB3 4.10 <# 2 35040.0 cormajan 669 HA 81 TYR CG 6.00 # m 1 12640.0*2 cormajan1089 HA 82 ASP- HN 4.60 # 2 18450.0 cormajan1097 HA 82 ASP- QB 6.00 # m w 2 2349.5*2 cormajan1104 HA 84 ALA QB 5.30 # 3M 14800.0 cormajan2378 HA 85 ALA HN 5.00 # w 3 3120.0 cormajan1241 HB2 81 TYR CG 6.10 # r 1 34460.0*2 cormajan1088 HB2 81 TYR CZ 7.00 # r w 1 1880.5*2 cormajan1090 HB2 82 ASP- HN 3.90 # 2 44440.0 cormajan1098 HB3 81 TYR CG 6.00 # r 1 37245.0*2 cormajan1087 HB3 81 TYR CZ 7.00 # r w 1 3322.5*2 cormajan1091 CG 81 TYR CZ 7.90 # rr 1 43850.0*2*2 cormajan 8 CG 82 ASP- HN 7.00 # r w 5 5900.0*2 cormajan1105 CG 82 ASP- HA 7.00 # r w 5 7615.0*2 cormajan1100 CG 82 ASP- QB 8.00 # rmw 5 2812.5*2*2 cormajan1102 CG 85 ALA QB 8.00 # r w 5M 7005.0*2 cormajan1238 CZ 85 ALA QB 8.00 # r w 5M 10820.0*2 cormajan1239 82 ASP- HN 82 ASP- HA 4.10 # 2 32430.0 cormajan 480 HN 82 ASP- QB 5.20 # i 2 19085.0*2 cormajan 479 HN 83 GLN HN 3.70 # 2 55420.0 cormajan1085 HA 82 ASP- QB 5.00 # i 2 23630.0*2 cormajan 482 HA 85 ALA HN 5.00 # w 3 3454.0 cormajan2576 HA 85 ALA QB 6.00 # w 3M 3626.0 cormajan2578 QB 83 GLN HN 6.00 # m w 2 11110.0*2 cormajan1084 83 GLN HN 83 GLN HA 4.30 # 2 25970.0 cormajan 233 HN 83 GLN HB2 3.90 # 2 45310.0 cormajan 234 HN 83 GLN HB3 3.70 # 2 59050.0 cormajan 237 HN 83 GLN HG2 4.70 # 1 17890.0 cormajan 236 HN 83 GLN HG3 4.80 # 1 16040.0 cormajan 302 HN 83 GLN HE21 5.00 # w 1 2230.0 cormajan 321 HN 83 GLN HE22 5.00 # w 1 1137.0 cormajan 782 HN 84 ALA HN 3.50 # 2 71800.0 cormajan 998 HN 85 ALA HN 5.00 # w 3 1365.0 cormajan2574 HN 88 LYS+ HD3 5.20 # w 5 5148.0 cormajan1338 HA 83 GLN HB2 4.00 <# 2 36470.0 cormajan 298 HA 83 GLN HB3 5.00 ># w 2 10540.0 cormajan 296 HA 83 GLN HG2 4.80 ># 1 15850.0 cormajan 28 HA 83 GLN HG3 3.70 <# 1 54060.0 cormajan 25 HA 83 GLN HE22 5.00 # w 1 3205.0 cormajan 322 HA 84 ALA HN 5.00 # w 2 4030.0 cormajan1000 HA 88 LYS+ HN 3.80 # 4 23780.0 cormajan1337 HA 88 LYS+ HB2 2.90 <# 5 81800.0 cormajan1339 HA 88 LYS+ HB3 3.50 ># 5 36200.0 cormajan2729 HB2 83 GLN HG2 3.50 # 1 80010.0 cormajan 22 HB2 83 GLN HG3 2.60 # 1 346100.0 cormajan 23 HB2 83 GLN HE21 5.00 # w 1 7164.0 cormajan 981 HB2 83 GLN HE22 5.00 # w 1 3765.0 cormajan 979 HB2 84 ALA HN 3.90 # 2 44340.0 cormajan1001 HB2 89 TRP HE1 5.20 # w 5 7244.0 cormajan1161 HB2 89 TRP HZ2 4.70 # 5 11510.0 cormajan1169 HB3 83 GLN HG2 2.60 # 1 331400.0 cormajan 300 HB3 83 GLN HG3 4.30 # 1 27190.0 cormajan 20 HB3 83 GLN HE21 5.00 # w 1 5130.0 cormajan 980 HB3 83 GLN HE22 5.00 # w 1 4751.0 cormajan 978 HB3 88 LYS+ HB2 3.40 # 5 39270.0 cormajan2730 HB3 88 LYS+ HB3 4.30 # 5 16680.0 cormajan2733 HB3 89 TRP HE3 5.20 # w 5 724.0 cormajan2792 HG2 83 GLN HE21 3.90 # 1 44620.0 cormajan 320 HG2 83 GLN HE22 4.00 # 1 36670.0 cormajan 317 HG2 89 TRP HE3 5.20 # w 5 1955.0 cormajan1172 HG2 89 TRP HZ3 4.90 # 5 9274.0 cormajan1175 HG2 89 TRP HZ2 5.20 # w 5 5391.0 cormajan1166 HG3 83 GLN HE21 4.40 # 1 24360.0 cormajan 319 HG3 83 GLN HE22 4.80 # 1 15900.0 cormajan 318 HG3 84 ALA HN 4.30 # 5 16140.0 cormajan1004 HG3 89 TRP HD1 5.00 # 5 8965.0 cormajan1174 HG3 89 TRP HE1 4.90 # 5 9471.0 cormajan1164 HG3 89 TRP HZ2 4.90 # 5 9479.0 cormajan1168 HE21 88 LYS+ HB3 5.20 # w 5 2398.0 cormajan2794 HE21 89 TRP HZ3 5.20 # w 5 6148.0 cormajan1170 HE22 88 LYS+ HB2 5.20 # w 5 7511.0 cormajan1344 HE22 88 LYS+ HB3 5.20 # w 5 4055.0 cormajan2796 HE22 89 TRP HA 5.00 # 5 8772.0 cormajan1342 84 ALA HN 84 ALA HA 4.50 # 2 20990.0 cormajan 247 HN 84 ALA QB 3.50 # 2M 84070.0 cormajan 218 HN 85 ALA HN 4.10 # 2 35780.0 cormajan1006 HA 84 ALA QB 3.40 # s 2M 121800.0 cormajan 133 HA 85 ALA HN 4.90 # 2 14040.0 cormajan1010 HA 89 TRP HD1 4.70 # 5 11440.0 cormajan1191 HA 89 TRP HE1 4.00 # 5 21980.0 cormajan1189 QB 85 ALA HN 4.20 # 2M 33780.0 cormajan1007 QB 89 TRP HD1 6.00 # w 5M 4777.0 cormajan1192 QB 89 TRP HE1 5.90 # 5M 45750.0 cormajan1188 85 ALA HN 85 ALA HA 4.20 # 2 30370.0 cormajan 137 HN 85 ALA QB 3.90 # 2M 51940.0 cormajan 136 HN 86 GLY HN 4.10 # 2 33540.0 cormajan1014 HA 85 ALA QB 3.40 # s 2M 120300.0 cormajan 131 HA 86 GLY HN 5.00 # w 2 9537.0 cormajan1013 QB 86 GLY HN 3.90 # 2M 50240.0 cormajan1016 86 GLY HN 86 GLY HA1 3.70 # 2 58840.0 cormajan 361 HN 86 GLY HA2 3.80 # 2 48160.0 cormajan 360 HA1 87 ASN HN 4.40 <# 2 22980.0 cormajan2736 HA2 87 ASN HN 5.00 ># w 2 6026.0 cormajan2798 HA2 88 LYS+ HB2 5.00 # w 3 7652.0 cormajan2534 HA2 88 LYS+ HB3 5.00 # w 3 3805.0 cormajan1019 HA2 88 LYS+ HE3 5.20 # w 5 3015.0 cormajan2800 87 ASN HN 87 ASN HA 3.10 # 2 149200.0 cormajan 449 HN 87 ASN HB2 4.80 # 2 16000.0 cormajan 450 HN 87 ASN HB3 4.20 # 2 30150.0 cormajan 447 HN 88 LYS+ HN 4.20 # 2 29110.0 cormajan1021 HA 87 ASN HB2 4.60 ># 2 18970.0 cormajan 784 HA 87 ASN HB3 3.90 <# 2 45640.0 cormajan 452 HA 88 LYS+ HN 4.50 # 2 22190.0 cormajan1022 88 LYS+ HN 88 LYS+ HA 4.40 # 2 23440.0 cormajan 172 HN 88 LYS+ HB2 3.40 # 2 92430.0 cormajan 168 HN 88 LYS+ HB3 3.80 # 2 50690.0 cormajan 167 HN 88 LYS+ QG 6.00 # m 1 12245.0*2 cormajan 171 HN 88 LYS+ HD2 4.90 ># 1 14090.0 cormajan 170 HN 88 LYS+ HD3 4.20 <# 1 30630.0 cormajan 169 HN 88 LYS+ HE2 5.00 # w 1 8875.0 cormajan 254 HN 88 LYS+ HE3 5.00 # w 1 11840.0 cormajan 253 HN 89 TRP HN 3.90 # 2 46600.0 cormajan1158 HA 88 LYS+ HB2 3.40 <# 2 88020.0 cormajan 192 HA 88 LYS+ HB3 4.70 ># 2 17190.0 cormajan 163 HA 88 LYS+ QG 4.70 # i 1 32800.0*2 cormajan 181 HA 88 LYS+ HE3 3.40 # 1 89640.0 cormajan 327 HA 89 TRP HN 5.00 # w 2 11680.0 cormajan1157 HB2 88 LYS+ QG 4.20 <# m 1 115500.0*2 cormajan 184 HB2 88 LYS+ HD2 4.10 # 1 32270.0 cormajan2399 HB2 88 LYS+ HD3 3.60 # 1 68490.0 cormajan 187 HB2 88 LYS+ HE2 3.90 # 1 43730.0 cormajan 269 HB2 88 LYS+ HE3 4.00 # 1 38930.0 cormajan 268 HB3 88 LYS+ QG 5.00 ># m 1 36870.0*2 cormajan 190 HB3 88 LYS+ HD2 4.10 # 1 36010.0 cormajan2400 HB3 88 LYS+ HD3 3.80 # 1 53040.0 cormajan 188 HB3 88 LYS+ HE2 4.60 # 1 18710.0 cormajan 271 HB3 88 LYS+ HE3 5.00 # w 1 2450.0 cormajan 258 QG 88 LYS+ HD2 4.10 <# m 1 149200.0*2 cormajan 185 QG 88 LYS+ HD3 5.00 ># m 1 37665.0*2 cormajan 186 QG 88 LYS+ HE2 6.00 <# m w 1 571.5*2 cormajan 264 QG 88 LYS+ HE3 6.00 ># m w 1 80.5*2 cormajan 263 HD2 88 LYS+ HE2 4.80 # 1 15170.0 cormajan 262 HD2 88 LYS+ HE3 4.70 # 1 17280.0 cormajan 256 HD3 88 LYS+ HE2 5.00 # w 1 10300.0 cormajan 57 HD3 88 LYS+ HE3 4.10 # 1 32980.0 cormajan 255 89 TRP HN 89 TRP HA 4.70 # 2 17250.0 cormajan 375 HN 89 TRP HB2 3.60 # 2 63120.0 cormajan 383 HN 89 TRP HB3 3.90 # 2 42650.0 cormajan 379 HA 89 TRP HB2 4.80 ># 2 15040.0 cormajan 378 HA 89 TRP HB3 4.10 <# 2 34790.0 cormajan 376 HA 89 TRP HE3 3.40 # 1 94890.0 cormajan1153 HA 89 TRP HZ3 5.00 # w 1 5610.0 cormajan1156 HB2 89 TRP HD1 3.70 <# 1 58160.0 cormajan1151 HB2 89 TRP HE1 5.00 # w 1 809.0 cormajan1162 HB3 89 TRP HD1 4.40 ># 1 24110.0 cormajan1152 HB3 89 TRP HE3 4.70 # 1 17420.0 cormajan1341 HD1 89 TRP HE1 3.50 # 1 78280.0 cormajan 250 HE3 89 TRP HZ3 3.30 # 1 109700.0 cormajan 11 HE3 89 TRP HH2 4.70 # 1 16840.0 cormajan 10 HE1 89 TRP HZ2 4.00 # 1 38680.0 cormajan 251 HZ3 89 TRP HH2 3.30 # 1 102900.0 cormajan 16 HZ2 89 TRP HH2 3.30 # 1 107600.0 cormajan 17 11 PHE HZ 19 HET HB2 3.40 <# s 5 48580.0 cormaN25 48 HZ 32 LEU QD1 4.10 # 5M 10370.0 cormaN25 121 14 ASN QB 19 HET QT2 4.40 # m s 5M 62700.0*2 cormaN25 74 15 CYSS HA 19 HET HT2A 3.50 # 5 2602.0 cormaN256099 17 ALA QB 19 HET QM3 5.30 # m 5M 7776.0 cormaN25 94 19 HET HB2 32 LEU QD1 4.50 # 5M 5973.0 cormaN25 123 HB3 32 LEU QD1 3.90 # 5M 12960.0 cormaN25 98 HA71 19 HET HA72 2.40 # s 1 115500.0 cormaN25 17 HA71 19 HET HB74 3.00 # 1 5053.0 cormaN25 18 HA71 19 HET HB73 2.90 # 1 6213.0 cormaN25 19 HA71 19 HET QM8 5.00 # 1M 2612.0 cormaN25 32 HA71 19 HET HGM 3.50 # 1 11020.0 cormaN25 15 HA71 41 LEU HB2 4.60 # 5 666.0 cormaN25 104 HA71 41 LEU QD1 6.00 ># w 5M 621.0 cormaN25 101 HA71 41 LEU QD2 4.50 <# 5M 6294.0 cormaN25 100 HA72 19 HET HB73 3.70 # 1 1786.0 cormaN25 115 HA72 19 HET QM8 5.00 # 1M 2722.0 cormaN25 22 HA72 37 ILE HA 3.50 # 5 12900.0 cormaN25 109 HA72 37 ILE QG2 4.80 # 5M 4616.0 cormaN25 112 HA72 37 ILE QG1 4.30 # m 5 3293.5*2 cormaN25 107 HA72 41 LEU HA 3.70 # 5 1921.0 cormaN25 106 HA72 41 LEU HB2 3.40 # 5 2903.0 cormaN25 105 HA72 41 LEU QD2 3.90 # 5M 12660.0 cormaN25 102 HB74 19 HET HB73 3.40 # s 1 66350.0 cormaN25 113 HB74 37 ILE QG1 3.40 # m s 5 27330.0*2 cormaN25 119 HB73 19 HET HGM 2.90 # 1 5914.0 cormaN25 31 HB73 37 ILE HA 2.90 # 5 7343.0 cormaN25 125 HB73 37 ILE QG1 3.40 # m s 5 20130.0*2 cormaN25 117 HB73 41 LEU HB3 3.00 # 5 5416.0 cormaN256100 HDM 19 HET QM1 3.90 # 1M 9993.0 cormaN25 82 QM1 19 HET QT2 4.50 # m 1M 16240.0 cormaN25 7 QM1 54 ILE QG2 5.90 # m 5M 5344.0 cormaN25 62 QM1 54 ILE HG13 4.30 # 5M 9460.0 cormaN25 41 QM1 54 ILE QD1 5.30 # m 5M 8079.0 cormaN25 83 QM1 76 VAL QG1 4.90 <# m 5M 12390.0 cormaN25 42 QM1 76 VAL QG2 5.60 ># m 5M 5561.0 cormaN25 43 QM1 80 VAL QG1 5.70 # m 5M 4870.0 cormaN25 85 HT2A 19 HET QT2 3.40 # s 1M 54460.0 cormaN25 72 HT2A 19 HET HAM 2.40 # s 1 36600.0 cormaN25 70 HT2A 64 TRP HZ2 3.00 # 5 5808.0 cormaN25 79 QT2 64 TRP HD1 5.30 # 5M 2849.0 cormaN25 77 QT2 68 LEU HG 3.40 # s 5M 27330.0 cormaN25 80 HAM 19 HET QM3 3.50 # 1M 15360.0 cormaN25 2 HAM 64 TRP HZ2 2.40 # s 5 32400.0 cormaN25 54 QM3 19 HET HT4A 4.60 # 1M 8107.0 cormaN25 6 QM3 19 HET QT4 4.40 # m s 1M 24170.0 cormaN25 4 QM3 62 PRO HB2 5.40 # 5M 2535.0 cormaN25 91 QM3 64 TRP HZ2 3.70 # 5M 16890.0 cormaN25 52 QM3 64 TRP HH2 4.20 # 5M 8336.0 cormaN25 53 HT4A 19 HET HBM 3.40 # s 1 35540.0 cormaN25 23 HT4A 26 VAL QG2 4.40 # 5M 7398.0 cormaN25 96 HT4A 62 PRO QG 5.40 # m 5 797.0*2 cormaN25 99 QT4 62 PRO QG 5.60 # m 5M 5850.0*2 cormaN25 126 HBM 19 HET QM5 4.00 # 1M 8231.0 cormaN25 10 HBM 26 VAL HB 3.90 # 5 1491.0 cormaN25 58 HBM 26 VAL QG2 3.40 # s 5M 24830.0 cormaN25 57 QM5 19 HET QAP6 4.20 # 1M 6250.0 cormaN25 11 QM5 19 HET QBP6 3.70 # 1M 12060.0 cormaN25 12 QM5 26 VAL HB 4.30 # 5M 8200.0 cormaN25 35 QM5 26 VAL QG1 4.90 # m 5M 12790.0 cormaN25 34 QM5 26 VAL QG2 4.70 # m 5M 15970.0 cormaN25 39 QM5 60 ALA QB 4.80 # m 5M 14520.0 cormaN25 61 QAP6 19 HET QBP6 3.00 # 1 4951.0 cormaN25 120 37 ILE QG2 41 LEU QD2 4.40 # m s 5M 52960.0 cormaN25 127 54 ILE HG13 64 TRP HD1 3.80 # 5 1746.0 cormaN25 129 62 PRO QG 64 TRP HZ2 3.90 # m 5 6235.0*2 cormaN25 87 6 LEU QD2 71 ASP- HB3 5.80 # 5M 16746.4 c6oxD2O. 99 QD2 72 GLU- HA 6.00 # w 5M 5029.2 c6oxD2O. 102 7 GLY HA2 76 VAL HA 3.20 # 4 41778.0 c6oxD2O. 71 HA2 76 VAL QG2 5.20 # 5M 29216.0 c6oxD2O. 72 10 VAL QG1 19 HET QT2 7.00 # m w 5M 5937.8 c6oxD2O. 124 11 PHE CZ 76 VAL QG1 8.00 # r w 5M 7313.9*2 c6oxD2O. 78 HZ 15 CYSS QB 6.00 # m 5 4346.1*2 c6oxD2O. 48 HZ 16 ALA HA 3.90 # 5 14938.0 c6oxD2O. 47 HZ 19 HET HB3 3.50 # 5 27720.0 c6oxD2O. 45 HZ 80 VAL QG1 6.00 # w 5M 13376.0 c6oxD2O. 77 15 CYSS QB 19 HET HB3 6.00 # m w 5 3417.7*2 c6oxD2O. 49 QB 19 HET HT2A 6.00 # m 5 4380.2*2 c6oxD2O. 107 16 ALA HA 19 HET HB2 5.00 # w 3 6894.8 c6oxD2O. 79 18 CYSS HA 25 ASN HB3 4.40 # 5 8256.6 c6oxD2O. 118 19 HET HA 19 HET HB2 5.00 ># w 2 6316.2 c6oxD2O. 12 HA 19 HET HB3 3.70 <# 2 32318.0 c6oxD2O. 10 HA 24 ASN HA 3.30 # 4 37752.0 c6oxD2O. 6 QM1 54 ILE HG12 6.00 # w 5M 8819.8 c6oxD2O. 136 QT2 54 ILE QG2 6.00 # m 5M 37928.0 c6oxD2O. 110 QT2 54 ILE HG12 5.10 # 5M 34628.0 c6oxD2O. 108 QT2 68 LEU QD2 7.00 # m w 5M 10212.4 c6oxD2O. 112 QT2 76 VAL QG1 7.00 # m w 5M 11831.6 c6oxD2O. 114 QT2 76 VAL QG2 7.00 # m 5M 14678.4 c6oxD2O. 122 QM5 59 GLY HA2 6.00 # w 5M 4708.0 c6oxD2O. 128 QM5 60 ALA HA 6.00 # w 5M 3858.8 c6oxD2O. 130 QM5 61 MET QB 7.00 # m w 5M 1149.5*2 c6oxD2O. 134 QAP6 27 ILE HB 5.20 # w 5 3973.2 c6oxD2O. 119 QAP6 27 ILE QG1 6.00 # m w 5 1145.1*2 c6oxD2O. 120 QAP6 30 HIS QB 5.40 # m 5 7954.1*2 c6oxD2O. 125 QBP6 58 LYS+ QG 6.00 # m w 5 3786.2*2 c6oxD2O. 126 QBP6 58 LYS+ QD 6.00 # m w 5 1636.8*2 c6oxD2O. 127 QBP6 60 ALA QB 6.00 # w 5M 5777.2 c6oxD2O. 132 24 ASN HA 24 ASN HB2 3.40 # 2 52250.0 c6oxD2O. 4 HA 24 ASN HB3 3.40 # 2 51634.0 c6oxD2O. 5 HA 25 ASN HB2 5.00 # w 2 4857.6 c6oxD2O. 17 HB2 28 PRO HA 4.00 <# 3 107272.0 c6oxD2O. 13 HB3 28 PRO HA 4.60 ># 3 53460.0 c6oxD2O. 14 HB3 30 HIS QB 5.90 # m 5 4699.2*2 c6oxD2O. 80 27 ILE HB 30 HIS QB 4.30 # m 5 37367.0*2 c6oxD2O. 73 HB 30 HIS HD2 4.80 # 5 5117.2 c6oxD2O. 95 QG2 28 PRO HD3 6.00 # w 5M 10709.6 c6oxD2O. 68 QG2 30 HIS HA 6.00 # w 5M 2941.4 c6oxD2O. 75 28 PRO HA 28 PRO HD3 4.50 # 1 12612.6 c6oxD2O. 84 30 HIS HA 36 ALA QB 5.50 # 5M 22616.0 c6oxD2O. 104 51 VAL QQG 52 TYR HA 7.40 # w 5M 5263.5*2 c6oxD2O. 90 54 ILE HA 54 ILE HB 3.80 # 2 29502.0 c6oxD2O. 87 HA 54 ILE QG2 5.80 # 1M 12388.2 c6oxD2O. 86 QG2 73 ILE QD1 6.00 # m 5M 35860.0 c6oxD2O. 116 56 ASN HA 63 ALA QB 4.20 # 5M 87032.0 c6oxD2O. 65 57 GLY HA1 63 ALA HA 3.10 # 4 44418.0 c6oxD2O. 55 HA2 63 ALA HA 2.90 # 4 63272.0 c6oxD2O. 57 HA2 63 ALA QB 4.60 <# 5M 56518.0 c6oxD2O. 60 62 PRO HB2 64 TRP HZ2 4.00 # 5 13378.2 c6oxD2O. 105 64 TRP HA 68 LEU HG 4.40 # 5 8478.8 c6oxD2O. 66 68 LEU QD2 72 GLU- QB 7.00 # m w 5M 2066.9*2 c6oxD2O. 100 70 GLU- HA 73 ILE HG13 3.90 # 5 14656.4 c6oxD2O. 97 85 ALA QB 86 GLY HA1 6.00 # w 2M 3295.6 c6oxD2O. 121 86 GLY HA1 88 LYS+ HB3 5.00 # w 3 11374.0 c6oxD2O. 91 15 CYSS SG 19 HET CAB 2.10 3.00E+00 18 CYSS SG 19 HET CAC 2.10 3.00E+00 19 HET ME 19 HET NA 2.10 3.00E+00 ME 19 HET NB 2.10 3.00E+00 ME 19 HET NC 2.10 3.00E+00 ME 19 HET ND 2.10 3.00E+00 NE2 19 HET NA 2.90 3.00E+00 NE2 19 HET NB 2.90 3.00E+00 NE2 19 HET NC 2.90 3.00E+00 NE2 19 HET ND 2.90 3.00E+00 ME 19 HET C1A 3.14 3.00E+00 ME 19 HET C1B 3.14 3.00E+00 ME 19 HET C1C 3.14 3.00E+00 ME 19 HET C1D 3.14 3.00E+00 ME 19 HET CHA 3.47 3.00E+00 ME 19 HET CHB 3.47 3.00E+00 ME 19 HET CHC 3.47 3.00E+00 ME 19 HET CHD 3.47 3.00E+00 ME 61 MET SD 2.45 3.00E+00 NA 61 MET SD 3.20 3.00E+00 NB 61 MET SD 3.20 3.00E+00 NC 61 MET SD 3.20 3.00E+00 ND 61 MET SD 3.20 3.00E+00 61 MET HN 61 MET HA 5.00 3.00E+00 HN 61 MET HB2 5.00 3.00E+00 HN 61 MET HB3 5.00 3.00E+00 HA 61 MET HB2 5.00 3.00E+00 HA 61 MET HB3 5.00 3.00E+00 HB2 61 MET HG2 5.00 3.00E+00 HB2 61 MET HG3 5.00 3.00E+00 HB3 61 MET HG2 5.00 3.00E+00 HB3 61 MET HG3 5.00 3.00E+00 19 HET HD1 24 ASN HA 5.00 3.00E+00 HD1 24 ASN HB2 5.00 3.00E+00 14 ASN HA 15 CYSS HN 4.00 3.00E+00 32 LEU HA 33 GLN HN 4.00 3.00E+00 52 TYR HA 53 GLN HN 4.00 3.00E+00
Contact the webmaster for help, if required. Monday, May 13, 2024 8:07:38 AM GMT (wattos1)