NMR Restraints Grid
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NMR Restraints Grid |
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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
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