NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
14515 1wwn cing 1-original 3 DYANA/DIANA distance NOE simple



  1 LYS  
         HN      1 LYS  HA      4.50  #     2   177600.0  e   BmK-betaIT_tn1042
         HN      1 LYS  HB2     5.00 >#   w 2    42540.0  e   BmK-betaIT_tn1040
         HN      1 LYS  HB3     4.30 <#     2   232300.0  e   BmK-betaIT_tn1041
         HN      2 LYS  HN      3.70  #     2   552500.0  e   BmK-betaIT_tn 740
         HA      2 LYS  HN      3.70  #     2   625100.0  e   BmK-betaIT_tn1039
         HB2     2 LYS  HN      4.00  #     2   378400.0  e   BmK-betaIT_tn1130
  2 LYS  
         HN      2 LYS  HA      3.30  #     2  1295000.0  e   BmK-betaIT_tn1305
         HN      2 LYS  HB2     4.20  #     2   260200.0  e   BmK-betaIT_tn 534
         HN      2 LYS  HB3     4.10  #     2   332600.0  e   BmK-betaIT_tn 535
         HN      2 LYS  HG2     3.10 <#     1  1423000.0  e   BmK-betaIT_tn 931
         HN      2 LYS  HG3     3.80 >#     1   443000.0  e   BmK-betaIT_tn1558
         HN      2 LYS  HD2     3.90  #     1   415000.0  e   BmK-betaIT_tn 934
         HN     47 LEU  HG      5.00  #   w 5     1543.0  e   BmK-betaIT_tn1621
         HD3    43 TYR  QE      6.10  # r   5    92850.0*2e   BmK-betaIT_tn1542
  3 ASN  
         HN      3 ASN  HA      3.90  #     2   466500.0  e   BmK-betaIT_tn 303
         HN      3 ASN  HB2     3.50  #     2   834500.0  e   BmK-betaIT_tn 302
         HA      3 ASN  HB2     3.00  #     2  2066000.0  e   BmK-betaIT_tn 328
         HA      3 ASN  HB3     3.10  #     2  1900000.0  e   BmK-betaIT_tn 327
         HA      3 ASN  HD21    4.40  #     1   189500.0  e   BmK-betaIT_tn1389
         HA      4 GLY  HN      2.90  #     2  2601000.0  e   BmK-betaIT_tn 509
         HA     43 TYR  QE      6.40  # r   5    60950.0*2e   BmK-betaIT_tn1484
         HA     45 PHE  HA      3.80  #     4   521100.0  e   BmK-betaIT_tn1623
         HA     46 GLY  HN      3.80  #     4   560300.0  e   BmK-betaIT_tn1109
         HA     47 LEU  HN      5.00  #   w 4    74110.0  e   BmK-betaIT_tn1486
         HA     47 LEU  HG      3.90  #     5   137500.0  e   BmK-betaIT_tn1452
         HA     47 LEU  QD1     6.00 >#   w 5M   24240.0  e   BmK-betaIT_tn1344
         HA     47 LEU  QD2     4.10 <#     5M 1709000.0  e   BmK-betaIT_tn1343
         HB2     3 ASN  HD21    3.30  #     1  1120000.0  e   BmK-betaIT_tn1151
         HB2     3 ASN  HD22    3.80  #     1   433700.0  e   BmK-betaIT_tn1149
         HB2     4 GLY  HN      4.10  #     2   314000.0  e   BmK-betaIT_tn1430
         HB2    43 TYR  QE      4.80  # r   5  1071300.0*2e   BmK-betaIT_D2 311
         HB3     3 ASN  HD21    3.40  #     1   887100.0  e   BmK-betaIT_tn1150
         HB3     3 ASN  HD22    3.70  #     1   567100.0  e   BmK-betaIT_tn1148
         HB3     4 GLY  HN      3.90  #     2   406700.0  e   BmK-betaIT_tn1431
         HB3    43 TYR  QE      4.90  # r   5   867000.0*2e   BmK-betaIT_tn 310
         HD21   43 TYR  QE      6.80  # r   5    39330.0*2e   BmK-betaIT_tn1383
         HD21   45 PHE  QD      5.10  # r   5   494950.0*2e   BmK-betaIT_tn 893
         HD21   45 PHE  QE      7.00  # r w 5    10260.0*2e   BmK-betaIT_tn1386
  4 GLY  
         HN      4 GLY  HA1     3.50  #     2   896200.0  e   BmK-betaIT_tn 320
         HN      4 GLY  HA2     3.60  #     2   659500.0  e   BmK-betaIT_tn 321
         HN     43 TYR  QE      6.60  # r   5    52600.0*2e   BmK-betaIT_tn1382
         HN     44 CYSS HN      3.30  #     4  1216000.0  e   BmK-betaIT_tn 913
         HN     47 LEU  QD2     4.00  #     5M 1931000.0  e   BmK-betaIT_tn1361
         HA1     5 TYR  HN      3.20  #     2  1423000.0  e   BmK-betaIT_tn1082
         HA1    43 TYR  QE      4.80  # r   5   927300.1*2e   BmK-betaIT_D21120
         HA1    43 TYR  QD      6.90 <# r   5    32340.0*2e   BmK-betaIT_D21377
         HA1    53 VAL  HB      3.90  #     5   138500.0  e   BmK-betaIT_tn1409
         HA1    53 VAL  QG1     5.70  #     5M  238100.0  e   BmK-betaIT_tn1569
         HA1    56 ILE  QD1     5.00  #     5M  523400.0  e   BmK-betaIT_tn1551
         HA2     5 TYR  HN      3.20  #     2  1423000.0  e   BmK-betaIT_tn1083
         HA2    43 TYR  QE      4.90  # r   5   870500.0*2e   BmK-betaIT_tn1573
         HA2    43 TYR  QD      7.00 ># r w 5     8352.0*2e   BmK-betaIT_D21376
         HA2    53 VAL  QG2     3.60  #     5M 3549000.0  e   BmK-betaIT_tn1405
  5 TYR  
         HN      5 TYR  HA      5.00  #   w 2    73890.0  e   BmK-betaIT_tn 307
         HN      5 TYR  QB      3.90  # i   2  1213500.0*2e   BmK-betaIT_tn 114
         HN      5 TYR  QD      6.00  # r   1   353350.0*2e   BmK-betaIT_tn 847
         HN     43 TYR  QE      6.90  # r   5    33555.0*2e   BmK-betaIT_tn1418
         HN     53 VAL  HB      3.20  #     5   414800.0  e   BmK-betaIT_tn1100
         HN     53 VAL  QG1     5.60  #     5M  254200.0  e   BmK-betaIT_tn1101
         HN     53 VAL  QG2     4.80  #     5M  635400.0  e   BmK-betaIT_tn1102
         HN     54 LEU  HN      5.00  #   w 4     3972.0  e   BmK-betaIT_tn1434
         HA      5 TYR  QB      4.00  # m   2  1963200.1*2e   BmK-betaIT_D2 159
         HA      5 TYR  QE      5.60  # i w 1    23229.0*2e   BmK-betaIT_D2 899
         HA      5 TYR  QD      4.40  # m   1   872500.0*2e   BmK-betaIT_tn 688
         HA      6 ALA  HN      2.80  #     2  2945000.0  e   BmK-betaIT_tn1205
         HA     41 SER  QB      6.00  # m w 5      559.5*2e   BmK-betaIT_D21384
         HA     43 TYR  HA      2.90  #     4  2804400.0  e   BmK-betaIT_D2 868
         HA     43 TYR  QD      7.00  # r w 5    18027.0*2e   BmK-betaIT_D21316
         HA     44 CYSS HN      4.30  #     4   250200.0  e   BmK-betaIT_tn1108
         HA     47 LEU  QD2     4.70  #     5M  763900.0  e   BmK-betaIT_tn1461
         HA     54 LEU  HB2     4.30  #     5    70260.0  e   BmK-betaIT_D21367
         HA     56 ILE  QG2     6.00  #   w 5M  103560.0  e   BmK-betaIT_D21364
         HA     56 ILE  QD1     6.00  #   w 5M   60060.0  e   BmK-betaIT_D21365
         HB3     5 TYR  QE      6.40  # r   1   180990.0*2e   BmK-betaIT_D21405
         QB      5 TYR  QE      7.20  # mr  1   235450.0*4e   BmK-betaIT_tn 873
         QB      5 TYR  QD      6.20  # mr  1  1366500.0*4e   BmK-betaIT_D21145
         QB      6 ALA  HN      5.90  # m   2   110150.0*2e   BmK-betaIT_tn1121
         QB     53 VAL  HB      5.80  # m   5    39770.0*2e   BmK-betaIT_tn1550
         QE      5 TYR  QD      6.80  # rr  1  3020000.0*4e   BmK-betaIT_tn 268
         QE     38 CYSS HN      6.10  # r   5    94850.0*2e   BmK-betaIT_tn1281
         QE     39 LEU  HB2     5.80  # r   5   155070.0*2e   BmK-betaIT_D21404
         QE     41 SER  HN      5.50  # r   5   267120.0*2e   BmK-betaIT_D21279
         QE     41 SER  HA      7.00  # r w 5    22848.0*2e   BmK-betaIT_D21313
         QE     41 SER  QB      5.90  # rm  5   885000.0*4e   BmK-betaIT_tn 874
         QE     43 TYR  HN      7.00  # r w 5     1011.6*2e   BmK-betaIT_D21309
         QE     43 TYR  HB2     4.70 <# r   5  1246200.0*2e   BmK-betaIT_D21176
         QE     43 TYR  HB3     6.50 ># r   5    58300.0*2e   BmK-betaIT_tn1508
         QE     43 TYR  QE      9.00  # rrw 5    26475.0*4e   BmK-betaIT_tn1152
         QE     43 TYR  QD      8.10  # rr  5   100920.0*4e   BmK-betaIT_D21310
         QE     56 ILE  HB      6.20  # r   5    83340.0*2e   BmK-betaIT_D21317
         QE     56 ILE  QG2     6.00  # r   5M 2014500.0*2e   BmK-betaIT_tn1335
         QE     56 ILE  HG12    6.00 <# r   5   115700.0*2e   BmK-betaIT_tn1416
         QE     56 ILE  HG13    7.00 ># r w 5    14650.0*2e   BmK-betaIT_tn1444
         QE     56 ILE  QD1     6.00  # r   5M 2010500.0*2e   BmK-betaIT_tn1334
         QE     57 LYS  QZ      5.80  # rm  5  1112500.0*4e   BmK-betaIT_tn1528
         QE     60 THR  QG2     6.80  # r   5M  633500.0*2e   BmK-betaIT_tn1613
         QD      6 ALA  HN      6.60  # r   5    48105.0*2e   BmK-betaIT_tn1155
         QD     13 VAL  HB      7.00  # r w 5    15603.0*2e   BmK-betaIT_D21351
         QD     13 VAL  QG1     8.00  # r w 5M   78850.0*2e   BmK-betaIT_tn1447
         QD     41 SER  HN      6.90  # r   5    34800.0*2e   BmK-betaIT_D21358
         QD     41 SER  HA      7.00  # r w 5     5967.0*2e   BmK-betaIT_D21314
         QD     41 SER  QB      6.10  # rm  5   496200.0*4e   BmK-betaIT_D2 871
         QD     43 TYR  HA      5.20  # r   5   430200.0*2e   BmK-betaIT_D2 869
         QD     43 TYR  HB2     5.50 <# r   5   244020.0*2e   BmK-betaIT_D21178
         QD     43 TYR  HB3     6.40 ># r   5    61740.0*2e   BmK-betaIT_D21177
         QD     43 TYR  QE      9.00  # rrw 5    15585.0*4e   BmK-betaIT_D21292
         QD     43 TYR  QD      9.00  # rrw 5    13506.0*4e   BmK-betaIT_D21291
         QD     44 CYSS HN      7.00  # r w 5     3174.0*2e   BmK-betaIT_tn1564
         QD     54 LEU  HN      6.80  # r   5    37100.0*2e   BmK-betaIT_tn1435
         QD     54 LEU  HB2     5.20  # r   5   463950.0*2e   BmK-betaIT_tn1329
         QD     54 LEU  HB3     5.50  # r   5   278950.0*2e   BmK-betaIT_tn1328
         QD     54 LEU  QD1     6.80  # r   5M  694500.0*2e   BmK-betaIT_tn1371
         QD     54 LEU  QD2     6.60  # r   5M  889500.0*2e   BmK-betaIT_tn1330
         QD     56 ILE  HB      6.30  # r   5    71580.0*2e   BmK-betaIT_D21318
         QD     56 ILE  QG2     6.10  # r   5M 1849000.0*2e   BmK-betaIT_tn1333
         QD     56 ILE  QD1     6.10  # r   5M 1832000.0*2e   BmK-betaIT_tn1332
         QD     57 LYS  QZ      7.70  # rm  5    42550.0*4e   BmK-betaIT_tn1527
  6 ALA  
         HN      6 ALA  HA      3.50  #     2   887000.0  e   BmK-betaIT_tn 313
         HN      6 ALA  QB      3.50  #   s 2M 3789000.0  e   BmK-betaIT_tn  13
         HN      7 VAL  HN      5.00  #   w 2      738.0  e   BmK-betaIT_tn1499
         HN     43 TYR  HA      4.40  #     4   236500.0  e   BmK-betaIT_tn1122
         HN     44 CYSS HN      5.00  #   w 4    52730.0  e   BmK-betaIT_tn1153
         HA      7 VAL  HN      3.00  #     2  2239000.0  e   BmK-betaIT_tn 898
         HA     53 VAL  HA      3.40  #     4  1053000.0  e   BmK-betaIT_tn1462
         QB      7 VAL  HN      3.90  #     2M  968000.0  e   BmK-betaIT_tn1216
         QB     30 TYR  QE      7.10  # r   5M  478850.0*2e   BmK-betaIT_tn1403
         QB     30 TYR  QD      7.20  # r   5M  407350.0*2e   BmK-betaIT_tn1402
  7 VAL  
         HN      7 VAL  HA      3.80  #     2   508600.0  e   BmK-betaIT_tn 506
         HN      7 VAL  HB      4.60  #     2   167000.0  e   BmK-betaIT_tn 508
         HN      7 VAL  QG1     4.50 >#     1M  517600.0  e   BmK-betaIT_tn1283
         HN      7 VAL  QG2     3.50 <#   s 1M 3202000.0  e   BmK-betaIT_tn  90
         HN      8 ASP  HN      4.70  #     2   139500.0  e   BmK-betaIT_tn1325
         HN     52 ALA  QB      6.00  #   w 5M  156100.0  e   BmK-betaIT_tn1351
         HN     53 VAL  HA      4.00  #     4   391800.0  e   BmK-betaIT_tn1421
         HN     54 LEU  HN      5.00  #   w 4     4127.0  e   BmK-betaIT_tn1489
         HB      8 ASP  HN      3.10  #     2  1702000.0  e   BmK-betaIT_tn1412
         HB     11 GLY  HN      3.00  #     3  1216000.0  e   BmK-betaIT_tn1565
         HB     11 GLY  HA2     3.10  #     3  1136000.0  e   BmK-betaIT_tn1438
         QG1    11 GLY  HN      6.00 >#   w 5M   28780.0  e   BmK-betaIT_tn1427
         QG1    11 GLY  HA2     4.60  #     5M  846800.0  e   BmK-betaIT_tn1439
         QG2     8 ASP  HN      5.30  #     5M  374200.0  e   BmK-betaIT_tn1311
         QG2    11 GLY  HN      5.80 <#     5M  209100.0  e   BmK-betaIT_tn1426
         QG2    11 GLY  HA2     3.90  #     5M 2168000.0  e   BmK-betaIT_tn1440
         QG2    52 ALA  HN      6.00  #   w 5M   29720.0  e   BmK-betaIT_tn1519
         QG2    53 VAL  HA      4.40  #     5M 1059000.0  e   BmK-betaIT_tn1422
  8 ASP  
         HN      8 ASP  HB2     3.10  #     2  1662000.0  e   BmK-betaIT_tn 271
         HN      8 ASP  HB3     3.10  #     2  1667000.0  e   BmK-betaIT_tn 272
         HA      8 ASP  HB2     4.10  #     2   341100.0  e   BmK-betaIT_D21301
         HA     30 TYR  QE      7.00  # r w 5     6192.0*2e   BmK-betaIT_D21338
         HB2     9 SER  HN      3.20  #     2  1446000.0  e   BmK-betaIT_tn1092
         HB2    10 SER  HN      3.80  #     3   316400.0  e   BmK-betaIT_tn1420
         HB3     9 SER  HN      3.40  #     2  1010000.0  e   BmK-betaIT_tn1093
  9 SER  
         HN      9 SER  HA      2.90  #     2  2740000.0  e   BmK-betaIT_tn 447
         HN      9 SER  HB2     3.20  #     2  1430000.0  e   BmK-betaIT_tn 659
         HN      9 SER  HB3     3.20  #     2  1362000.0  e   BmK-betaIT_tn 658
         HA     10 SER  HN      3.60  #     2   691400.0  e   BmK-betaIT_tn1624
 10 SER  
         HN     10 SER  HA      3.20  #     2  1562000.0  e   BmK-betaIT_tn 563
         HN     10 SER  QB      4.40  # i   2   525000.0*2e   BmK-betaIT_tn 562
         HN     11 GLY  HN      2.50  #   s 2  7785000.0  e   BmK-betaIT_tn 618
         HA     11 GLY  HN      4.90  #     2   111000.0  e   BmK-betaIT_tn1629
         QB     11 GLY  HN      5.50  # m   2   170350.0*2e   BmK-betaIT_tn 554
 11 GLY  
         HN     11 GLY  HA1     2.90  #     2  2513000.0  e   BmK-betaIT_tn 315
         HN     11 GLY  HA2     2.80  #     2  3196000.0  e   BmK-betaIT_tn 316
         HN     12 LYS  HN      2.70  #     2  4062000.0  e   BmK-betaIT_tn 519
         HA1    12 LYS  HN      4.10  #     2   302300.0  e   BmK-betaIT_tn1239
         HA2    12 LYS  HN      3.90  #     2   407900.0  e   BmK-betaIT_tn1240
 12 LYS  
         HN     12 LYS  QB      3.40  # i   2  3465000.0*2e   BmK-betaIT_tn 298
         HN     12 LYS  QG      4.60  # m   1   663000.0*2e   BmK-betaIT_tn 300
         HN     12 LYS  QD      4.80  # m   1   443050.0*2e   BmK-betaIT_tn 299
         HA     12 LYS  QB      4.60  # m   2   695400.0*2e   BmK-betaIT_D21389
         HA     13 VAL  HN      3.90  #     2   465200.0  e   BmK-betaIT_tn 524
         QB     13 VAL  HN      4.40  # m   2  1081500.0*2e   BmK-betaIT_tn1181
 13 VAL  
         HN     13 VAL  HA      5.00  #   w 2      323.0  e   BmK-betaIT_tn  55
         HN     13 VAL  HB      4.60  #     2   156600.0  e   BmK-betaIT_tn 193
         HN     13 VAL  QG1     3.70  #     1M 1767000.0  e   BmK-betaIT_tn 191
         HN     13 VAL  QG2     3.80  #     1M 1464000.0  e   BmK-betaIT_tn 192
         HA     13 VAL  HB      3.30  #     2  1162000.0  e   BmK-betaIT_tn1378
         HA     14 SER  HN      4.40  #     2   218400.0  e   BmK-betaIT_tn1085
         HB     14 SER  HN      3.30  #     2  1258000.0  e   BmK-betaIT_tn1086
         HB     41 SER  HA      5.00  #   w 5     6527.0  e   BmK-betaIT_tn1591
         HB     41 SER  QB      3.90  # m   5   781200.0*2e   BmK-betaIT_D21196
         QG1    14 SER  HN      5.40  #     5M  338400.0  e   BmK-betaIT_tn1088
         QG1    41 SER  HA      6.00  #   w 5M    9800.0  e   BmK-betaIT_tn1474
         QG1    41 SER  QB      5.20  # m   5M 1435500.0*2e   BmK-betaIT_D21197
         QG2    14 SER  HN      4.80  #     5M  650300.0  e   BmK-betaIT_tn1087
         QG2    41 SER  QB      5.00  # m   5M 1884900.1*2e   BmK-betaIT_D21198
 14 SER  
         HN     14 SER  HA      5.00  #   w 2    41650.0  e   BmK-betaIT_tn 129
         HN     14 SER  QB      4.60  # i   2   372200.0*2e   BmK-betaIT_tn 128
         HN     41 SER  QB      6.00  # m w 5      916.5*2e   BmK-betaIT_tn1560
         HN     42 CYSS HN      5.00  #   w 4    58360.0  e   BmK-betaIT_tn1463
         HA     14 SER  QB      3.70  # m   2  3880500.0*2e   BmK-betaIT_tn1379
         HA     21 TYR  QE      5.50  # r   5   257800.0*2e   BmK-betaIT_tn 529
         QB     21 TYR  QE      7.90  # mr  5    31830.0*4e   BmK-betaIT_D2 528
         QB     42 CYSS HN      6.00  # m w 5     6380.0*2e   BmK-betaIT_tn 577
         QB     42 CYSS HB2     4.30  # m   5   373200.0*2e   BmK-betaIT_tn1381
         QB     42 CYSS HB3     4.70  # m   5   189350.0*2e   BmK-betaIT_tn1380
 15 GLU  
         HN     15 GLU  HB2     2.90  #     2  2672000.0  e   BmK-betaIT_tn 122
         HN     15 GLU  HB3     3.00  #     2  2194000.0  e   BmK-betaIT_tn 123
         HN     15 GLU  QG      4.30  # m   1  1134500.0*2e   BmK-betaIT_tn 121
         HB2    15 GLU  QG      3.80  # m   1  2635500.0*2e   BmK-betaIT_tn1278
         HB2    16 CYSS HN      3.40  #     2   935900.0  e   BmK-betaIT_tn1234
         HB3    15 GLU  QG      3.90  # m   1  2455000.0*2e   BmK-betaIT_tn1277
         HB3    16 CYSS HN      3.70  #     2   635000.0  e   BmK-betaIT_tn 641
         QG     16 CYSS HN      5.30  # m   5    71550.0*2e   BmK-betaIT_tn 642
 16 CYSS 
         HN     16 CYSS HA      4.00  #     2   377700.0  e   BmK-betaIT_tn1628
         HN     16 CYSS HB2     4.90  #     2   112700.0  e   BmK-betaIT_tn 875
         HN     16 CYSS HB3     5.00  #   w 2    56590.0  e   BmK-betaIT_tn 843
         HB2    17 LEU  HN      4.20 <#     2   283900.0  e   BmK-betaIT_tn1112
         HB2    18 LEU  HN      4.00 <#     3   243900.0  e   BmK-betaIT_tn1237
         HB2    21 TYR  QD      6.20  # r   5    82550.0*2e   BmK-betaIT_tn1373
         HB3    17 LEU  HN      5.00 >#   w 2    52930.0  e   BmK-betaIT_tn1238
         HB3    18 LEU  HN      5.00 >#   w 3    49010.0  e   BmK-betaIT_tn1236
         HB3    21 TYR  QD      6.20  # r   5    80450.0*2e   BmK-betaIT_tn1372
 17 LEU  
         HN     17 LEU  HA      4.70  #     2   148100.0  e   BmK-betaIT_tn1189
         HN     17 LEU  HB2     3.50  #     2   765100.0  e   BmK-betaIT_tn  29
         HN     17 LEU  HB3     3.80  #     2   537100.0  e   BmK-betaIT_tn 633
         HN     17 LEU  HG      2.90  #     1  2442000.0  e   BmK-betaIT_tn 632
         HN     17 LEU  QD1     6.00 >#   w 1M   58850.0  e   BmK-betaIT_tn 634
         HN     17 LEU  QD2     5.00 <#     1M  266900.0  e   BmK-betaIT_tn 635
         HN     18 LEU  HN      2.60  #     2  4683000.0  e   BmK-betaIT_tn 661
         HA     18 LEU  HN      5.00  #   w 2    12900.0  e   BmK-betaIT_tn 785
 18 LEU  
         HN     18 LEU  QB      3.70  # i   2  1721000.0*2e   BmK-betaIT_tn 477
         HN     18 LEU  HG      3.00  #     1  1780000.0  e   BmK-betaIT_tn 457
         HN     18 LEU  QD1     4.30  #     1M  683000.0  e   BmK-betaIT_tn 456
         HN     18 LEU  QD2     4.10  #     1M  904000.0  e   BmK-betaIT_tn1015
         QB     19 ASN  HN      6.00  # m w 2    67550.0*2e   BmK-betaIT_tn 733
         QB     21 TYR  HN      4.30  # m   3   738000.0*2e   BmK-betaIT_tn1408
         QD1    19 ASN  HN      6.00  #     5M  171100.0  e   BmK-betaIT_tn 734
         QD2    21 TYR  HB2     6.00  #   w 5M   90020.0  e   BmK-betaIT_tn1567
 19 ASN  
         HN     19 ASN  HA      4.00  #     2   356100.0  e   BmK-betaIT_tn 840
         HN     19 ASN  HB2     4.50 >#     2   185500.0  e   BmK-betaIT_tn 731
         HN     19 ASN  HB3     3.50 <#     2   828600.0  e   BmK-betaIT_tn 732
         HN     19 ASN  HD22    5.00  #   w 1    48520.0  e   BmK-betaIT_tn1561
         HN     20 ASN  HN      5.00  #   w 2     5707.0  e   BmK-betaIT_tn 958
         HA     20 ASN  HN      3.90  #     2   411400.0  e   BmK-betaIT_tn1428
         HA     22 CYSS HN      4.50  #     3   118200.0  e   BmK-betaIT_tn1134
         HA     36 TYR  HA      4.00  #     4   396300.0  e   BmK-betaIT_tn1460
         HB2    19 ASN  HD21    3.10  #     1  1646000.0  e   BmK-betaIT_tn 911
         HB2    19 ASN  HD22    3.60  #     1   674400.0  e   BmK-betaIT_tn1143
         HB3    19 ASN  HD21    3.30  #     1  1052000.0  e   BmK-betaIT_tn 912
         HB3    19 ASN  HD22    3.60  #     1   649300.0  e   BmK-betaIT_tn1142
 20 ASN  
         HN     20 ASN  HA      3.20  #     2  1450000.0  e   BmK-betaIT_tn 575
         HN     20 ASN  QB      3.90  # i   2  1308500.0*2e   BmK-betaIT_tn 842
         HN     21 TYR  HN      3.90  #     2   414500.0  e   BmK-betaIT_tn1625
         HA     21 TYR  HN      4.10  #     2   315600.0  e   BmK-betaIT_tn1141
         HA     23 ASN  HN      3.70  #     3   380200.0  e   BmK-betaIT_tn1429
         HA     24 ASN  HN      4.60  #     3    95260.0  e   BmK-betaIT_tn1454
         QB     20 ASN  HD21    4.70  # m   1   511500.0*2e   BmK-betaIT_tn1520
         QB     20 ASN  HD22    4.50  # m   1   743000.0*2e   BmK-betaIT_tn1047
         QB     21 TYR  HN      4.20  # m   2  1502500.0*2e   BmK-betaIT_tn 358
 21 TYR  
         HN     21 TYR  HA      3.20  #     2  1580000.0  e   BmK-betaIT_tn 348
         HN     21 TYR  HB2     2.90  #     2  2553000.0  e   BmK-betaIT_tn 333
         HN     21 TYR  HB3     2.80  #     2  2956000.0  e   BmK-betaIT_tn 334
         HA     21 TYR  QD      4.70  # m   1   573500.0*2e   BmK-betaIT_tn1136
         HA     22 CYSS HN      3.60  #     2   672500.0  e   BmK-betaIT_tn1135
         HA     24 ASN  HN      4.40  #     3   119100.0  e   BmK-betaIT_tn1410
         HB2    21 TYR  QD      5.20  # r   1  1360800.0*2e   BmK-betaIT_D2 584
         HB3    21 TYR  QD      5.20  # r   1  1179000.0*2e   BmK-betaIT_tn 585
         QE     21 TYR  QD      6.70  # rr  1  3820000.0*4e   BmK-betaIT_tn 241
         QE     25 ILE  QG2     7.40  # r   5M  337850.0*2e   BmK-betaIT_tn1398
         QE     25 ILE  HG12    5.90  # r   5   127450.0*2e   BmK-betaIT_tn1341
         QE     25 ILE  HG13    5.90  # r   5   145250.0*2e   BmK-betaIT_tn1397
         QE     25 ILE  QD1     6.30  # r   5M 1257000.0*2e   BmK-betaIT_tn1342
         QD     25 ILE  QD1     7.80  # r   5M  213200.0*2e   BmK-betaIT_tn1349
 22 CYSS 
         HN     22 CYSS HA      4.40  #     2   215400.0  e   BmK-betaIT_tn 312
         HN     22 CYSS HB2     3.10  #     2  1602000.0  e   BmK-betaIT_tn 305
         HN     22 CYSS HB3     3.30  #     2  1259000.0  e   BmK-betaIT_tn 306
         HN     23 ASN  HN      3.60  #     2   724100.0  e   BmK-betaIT_tn 687
         HA     25 ILE  HN      5.00  #   w 3    39390.0  e   BmK-betaIT_tn1115
         HA     25 ILE  HB      2.90  #     3  1552800.0  e   BmK-betaIT_D21192
         HB2    23 ASN  HN      4.20 >#     2   286800.0  e   BmK-betaIT_tn1132
         HB2    36 TYR  HA      3.00  #     5   701800.0  e   BmK-betaIT_tn1537
         HB3    23 ASN  HN      3.60 <#     2   748000.0  e   BmK-betaIT_tn1133
         HB3    36 TYR  HN      3.70  #     5   192800.0  e   BmK-betaIT_tn1081
         HB3    36 TYR  HA      2.90  #     5   815400.0  e   BmK-betaIT_tn1536
 23 ASN  
         HN     23 ASN  HA      3.50  #     2   853300.0  e   BmK-betaIT_tn 568
         HN     23 ASN  QB      3.50  # i   2  2476500.0*2e   BmK-betaIT_tn 891
         HN     23 ASN  HD22    5.00  #   w 1    18720.0  e   BmK-betaIT_tn1327
         HN     24 ASN  HN      3.00  #     2  2009000.0  e   BmK-betaIT_tn 679
         HA     24 ASN  HN      4.50  #     2   172300.0  e   BmK-betaIT_tn 730
         HA     26 CYSS HN      5.00  #   w 3     1318.0  e   BmK-betaIT_tn1245
         HA     26 CYSS HB2     3.30  #     3   702500.0  e   BmK-betaIT_tn1265
         HA     26 CYSS HB3     3.40  #     3   653100.0  e   BmK-betaIT_tn1266
         QB     23 ASN  HD22    4.00  # m   1  1898500.0*2e   BmK-betaIT_tn1048
 24 ASN  
         HN     24 ASN  HA      3.00  #     2  2024000.0  e   BmK-betaIT_tn  49
         HN     24 ASN  HB2     2.50 <#   s 2 13220000.0  e   BmK-betaIT_tn  50
         HN     24 ASN  HB3     2.70 >#     2  3731000.0  e   BmK-betaIT_tn  51
         HN     24 ASN  HD22    5.00  #   w 1    38370.0  e   BmK-betaIT_tn1488
         HA     24 ASN  HB2     2.70 <#     2  3978000.2  e   BmK-betaIT_D2 999
         HA     24 ASN  HB3     3.20 >#     2  1460000.0  e   BmK-betaIT_tn 998
         HA     25 ILE  HN      3.80  #     2   475400.0  e   BmK-betaIT_tn1626
         HA     28 LYS  HN      5.00  #   w 3     4183.8  e   BmK-betaIT_D21277
         HB2    24 ASN  HD21    2.60  #     1  4176000.0  e   BmK-betaIT_tn 695
         HB2    24 ASN  HD22    3.50  #     1   788200.0  e   BmK-betaIT_tn 696
         HB3    24 ASN  HD21    5.00  #   w 1    60970.0  e   BmK-betaIT_tn1168
         HB3    24 ASN  HD22    4.60  #     1   147400.0  e   BmK-betaIT_tn 697
         HD21   27 THR  QG2     5.60  #     5M  265400.0  e   BmK-betaIT_tn1353
 25 ILE  
         HN     25 ILE  HA      2.90  #     2  2572000.0  e   BmK-betaIT_tn 147
         HN     25 ILE  HB      2.60  #     2  4571000.0  e   BmK-betaIT_tn 579
         HN     25 ILE  QG2     4.40  #     1M  614800.0  e   BmK-betaIT_tn1056
         HN     25 ILE  HG12    3.40  #     1   943200.0  e   BmK-betaIT_tn 667
         HN     25 ILE  HG13    3.20  #     1  1381000.0  e   BmK-betaIT_tn 580
         HN     25 ILE  QD1     4.40  #     1M  609000.0  e   BmK-betaIT_tn 668
         HN     26 CYSS HN      3.20  #     2  1492000.0  e   BmK-betaIT_tn 682
         HA     26 CYSS HN      4.40  #     2   203700.0  e   BmK-betaIT_tn 963
         HA     28 LYS  HN      3.50  #     3   534600.0  e   BmK-betaIT_tn1167
         HA     28 LYS  HB2     3.20  #     3   826100.0  e   BmK-betaIT_tn1531
         HA     30 TYR  QE      6.50  # r   5    53700.0*2e   BmK-betaIT_tn1126
         HB     26 CYSS HN      3.10  #     2  1641000.0  e   BmK-betaIT_tn1089
         HB     30 TYR  QE      6.20  # r   5    82860.0*2e   BmK-betaIT_D21373
         QG2    26 CYSS HN      4.70  #     5M  783100.0  e   BmK-betaIT_tn1091
         QG2    30 TYR  HN      6.00  #   w 5M    4800.0  e   BmK-betaIT_tn1482
         QG2    30 TYR  QE      7.10  # r   5M  470950.0*2e   BmK-betaIT_tn1366
         HG12   26 CYSS HN      4.10  #     5   106000.0  e   BmK-betaIT_tn1090
         QD1    30 TYR  QE      7.70  # r   5M  241650.0*2e   BmK-betaIT_tn1365
 26 CYSS 
         HN     26 CYSS HA      3.90  #     2   434000.0  e   BmK-betaIT_tn 474
         HN     26 CYSS HB2     3.10  #     2  1665000.0  e   BmK-betaIT_tn 475
         HN     26 CYSS HB3     3.60  #     2   742700.0  e   BmK-betaIT_tn 476
         HN     27 THR  HN      3.90  #     2   421900.0  e   BmK-betaIT_tn 684
         HA     30 TYR  HN      3.80  #     3   316600.0  e   BmK-betaIT_tn1118
         HA     30 TYR  QD      4.60  # r   5  1462500.0*2e   BmK-betaIT_tn1158
         HB2    27 THR  HN      3.70  #     2   564700.0  e   BmK-betaIT_tn1111
         HB3    27 THR  HN      3.70  #     2   583500.0  e   BmK-betaIT_tn1110
         HB3    44 CYSS HB3     3.40  #     5   334800.0  e   BmK-betaIT_tn1594
 27 THR  
         HN     27 THR  HA      3.70  #     2   576400.0  e   BmK-betaIT_tn 459
         HN     27 THR  HB      4.50  #     2   192900.0  e   BmK-betaIT_tn 690
         HN     27 THR  QG2     3.50  #   s 1M 3014000.0  e   BmK-betaIT_tn 472
         HN     28 LYS  HN      3.50  #     2   909600.0  e   BmK-betaIT_tn 716
         HA     27 THR  HB      2.60  #     2  5156000.0  e   BmK-betaIT_tn 518
         HA     28 LYS  HN      5.00  #   w 2    12430.0  e   BmK-betaIT_tn 689
         HB     32 ALA  HN      5.00  #   w 5     1207.8  e   BmK-betaIT_D21229
         QG2    28 LYS  HN      6.00  #   w 5M   70560.0  e   BmK-betaIT_tn1354
         QG2    32 ALA  HN      6.00  #   w 5M   38334.0  e   BmK-betaIT_D21319
 28 LYS  
         HN     28 LYS  HA      2.90  #     2  2832000.0  e   BmK-betaIT_tn  95
         HN     28 LYS  HB2     2.90  #     2  2431000.0  e   BmK-betaIT_tn  94
         HN     28 LYS  HB3     3.20  #     2  1366000.0  e   BmK-betaIT_tn  93
         HN     28 LYS  QG      4.90  # m   1   384100.0*2e   BmK-betaIT_tn 469
         HN     28 LYS  QD      4.80  # m   1   440900.0*2e   BmK-betaIT_tn 468
         HN     29 VAL  HN      3.00  #     2  2127000.0  e   BmK-betaIT_tn 713
         HN     30 TYR  HN      5.00  #   w 3    20060.0  e   BmK-betaIT_tn1390
         HA     29 VAL  HN      4.00  #     2   364800.0  e   BmK-betaIT_tn1045
         HB3    29 VAL  HN      3.60  #     2   654800.0  e   BmK-betaIT_tn1424
 29 VAL  
         HN     29 VAL  HA      2.90  #     2  2763000.0  e   BmK-betaIT_tn 413
         HN     29 VAL  HB      3.10  #     2  1627000.0  e   BmK-betaIT_tn 412
         HN     29 VAL  QG1     4.00  #     1M 1021000.0  e   BmK-betaIT_tn 410
         HN     29 VAL  QG2     4.30  #     1M  711300.0  e   BmK-betaIT_tn 124
         HN     30 TYR  HN      2.80  #     2  3152000.0  e   BmK-betaIT_tn  81
         HN     30 TYR  QD      7.00  # r w 5    10705.0*2e   BmK-betaIT_tn1575
         HN     31 TYR  HN      4.20  #     3   157700.0  e   BmK-betaIT_tn 828
         HA     29 VAL  HB      3.30  #     2  1186000.0  e   BmK-betaIT_tn 722
         HA     30 TYR  HN      3.60  #     2   689100.0  e   BmK-betaIT_tn1127
         HA     30 TYR  HA      5.00  #   w 2    47088.0  e   BmK-betaIT_D21399
         HA     30 TYR  QD      6.90  # r   5    35325.0*2e   BmK-betaIT_tn1159
         HA     31 TYR  HN      5.00  #   w 3    45570.0  e   BmK-betaIT_tn1627
         HA     31 TYR  QE      7.00  # r w 5    11550.0*2e   BmK-betaIT_D21398
         HB     29 VAL  QG2     3.50  #   s 1M10290000.0  e   BmK-betaIT_tn1289
         HB     30 TYR  HN      2.80  #     2  3272000.0  e   BmK-betaIT_tn1129
         HB     30 TYR  QE      5.10  # r   5   510000.0*2e   BmK-betaIT_tn1128
         HB     30 TYR  QD      5.00  # r   5   719000.0*2e   BmK-betaIT_tn1160
         QG1    30 TYR  HN      4.50  #     5M  993800.0  e   BmK-betaIT_tn1161
         QG1    30 TYR  QE      7.30 ># r   5M  345900.0*2e   BmK-betaIT_tn1338
         QG1    30 TYR  QD      6.60  # r   5M  915500.0*2e   BmK-betaIT_tn1166
         QG2    30 TYR  HN      4.80  #     5M  700800.0  e   BmK-betaIT_tn1162
         QG2    30 TYR  QE      6.60 <# r   5M  913000.0*2e   BmK-betaIT_tn1163
         QG2    30 TYR  QD      6.80  # r   5M  705000.0*2e   BmK-betaIT_tn1164
 30 TYR  
         HN     30 TYR  HA      5.00  #   w 2    85790.0  e   BmK-betaIT_tn1075
         HN     30 TYR  HB2     3.60  #     2   721500.0  e   BmK-betaIT_tn   6
         HN     30 TYR  HB3     3.30  #     2  1231000.0  e   BmK-betaIT_tn   7
         HN     30 TYR  QD      5.40  # r   1   905500.0*2e   BmK-betaIT_tn 886
         HN     31 TYR  HN      2.70  #     2  4126000.0  e   BmK-betaIT_tn 858
         HN     32 ALA  HN      5.00  #   w 3     1566.0  e   BmK-betaIT_tn1505
         HA     30 TYR  QE      5.60  # i w 1    31825.0*2e   BmK-betaIT_tn1123
         HA     30 TYR  QD      4.40  # m   1   944000.0*2e   BmK-betaIT_tn1157
         HA     31 TYR  HN      4.00  #     2   346440.0  e   BmK-betaIT_D2 858
         HA     31 TYR  HB2     4.90  #     2   105000.0  e   BmK-betaIT_D21397
         HB2    30 TYR  QE      6.30  # r   1   208100.0*2e   BmK-betaIT_tn1124
         HB2    30 TYR  QD      4.80  # r   1  2720500.0*2e   BmK-betaIT_tn 916
         HB2    32 ALA  QB      6.00  #   w 5M   86510.0  e   BmK-betaIT_tn1571
         HB3    30 TYR  QE      6.30  # r   1   208900.0*2e   BmK-betaIT_tn1125
         HB3    30 TYR  QD      4.80  # r   1  2597500.0*2e   BmK-betaIT_tn 915
         QE     30 TYR  QD      6.60  # rr  1  4215000.0*4e   BmK-betaIT_tn 262
         QE     32 ALA  QB      8.00  # r w 5M   16355.0*2e   BmK-betaIT_tn1459
         QD     32 ALA  QB      8.00  # r w 5M    7620.0*2e   BmK-betaIT_tn1543
         QD     51 LYS  HE2     5.50  # r   5   268200.0*2e   BmK-betaIT_tn1585
 31 TYR  
         HN     31 TYR  HA      2.70  #     2  3805000.0  e   BmK-betaIT_tn   2
         HN     31 TYR  HB2     3.90 <#     2   423300.0  e   BmK-betaIT_tn   3
         HN     31 TYR  HB3     5.00 >#   w 2    52820.0  e   BmK-betaIT_tn   4
         HN     31 TYR  QD      6.20  # r   1   254650.0*2e   BmK-betaIT_tn 888
         HN     32 ALA  HN      3.20  #     2  1333000.0  e   BmK-betaIT_tn 829
         HA     31 TYR  HB2     2.60  #     2  5448000.0  e   BmK-betaIT_tn1411
         HA     31 TYR  QD      5.00  # m   1   319550.0*2e   BmK-betaIT_tn 917
         HA     32 ALA  HN      3.40  #     2  1076400.0  e   BmK-betaIT_D21219
         HB2    31 TYR  QD      5.30  # r   1   993000.0*2e   BmK-betaIT_tn 907
         HB3    31 TYR  QD      5.40  # r   1   849500.0*2e   BmK-betaIT_tn 906
         QE     31 TYR  QD      6.50  # rrs 1  6420000.0*4e   BmK-betaIT_tn 266
 32 ALA  
         HN     32 ALA  QB      3.50  #   s 2M 5214000.0  e   BmK-betaIT_tn 467
         HN     47 LEU  QD1     6.00  #     5M  167160.0  e   BmK-betaIT_D21395
         HA     33 THR  HN      4.00  #     2   359400.0  e   BmK-betaIT_tn 856
         QB     33 THR  HN      3.50  #   s 2M 4257000.0  e   BmK-betaIT_tn1243
         QB     44 CYSS HA      5.30  #     5M  348700.0  e   BmK-betaIT_tn1346
         QB     44 CYSS HB3     4.10  #     5M 1607000.0  e   BmK-betaIT_tn1549
         QB     45 PHE  HN      5.10  #     5M  479200.0  e   BmK-betaIT_tn1347
 33 THR  
         HN     33 THR  HA      2.90  #     2  2867000.0  r   BmK-betaIT_tn 852
         HN     33 THR  HB      4.10  #     2   317700.0  e   BmK-betaIT_tn 617
         HN     33 THR  QG2     3.50  #   s 1M 5050000.0  e   BmK-betaIT_tn 853
         HN     34 SER  HN      2.90  #     2  2881000.0  e   BmK-betaIT_tn 854
         HN     46 GLY  HA2     4.50  #     4   200700.0  e   BmK-betaIT_tn1521
         HA     34 SER  HN      3.80  #     2   489900.0  e   BmK-betaIT_tn 851
         HB     34 SER  HN      4.40  #     2   212400.0  e   BmK-betaIT_tn1248
         QG2    34 SER  HN      4.70  #     5M  790700.0  e   BmK-betaIT_tn1249
 34 SER  
         HN     34 SER  HA      4.10  #     2   315100.0  e   BmK-betaIT_tn1242
         HN     34 SER  QB      4.60  # i   2   397650.0*2e   BmK-betaIT_tn 594
         HN     35 GLY  HN      4.40  #     2   222100.0  e   BmK-betaIT_tn 595
         HN     45 PHE  HB2     3.70  #     5   195500.0  e   BmK-betaIT_tn1182
         HN     45 PHE  HB3     3.90  #     5   135200.0  e   BmK-betaIT_tn1183
         HA     35 GLY  HN      3.20  #     2  1543000.0  e   BmK-betaIT_tn1208
         QB     35 GLY  HN      4.40  # m   2  1047000.0*2e   BmK-betaIT_tn 656
 35 GLY  
         HN     35 GLY  HA1     3.80  #     2   477300.0  e   BmK-betaIT_tn 230
         HN     35 GLY  HA2     3.90  #     2   444300.0  e   BmK-betaIT_tn 229
         HN     36 TYR  HN      5.00  #   w 2    11400.0  e   BmK-betaIT_tn1464
         HA1    36 TYR  HN      3.50 <#     2   862000.0  e   BmK-betaIT_tn1080
         HA1    43 TYR  HB2     4.10  #     5   105500.0  e   BmK-betaIT_tn1577
         HA1    44 CYSS HA      3.50 <#     4   907100.0  e   BmK-betaIT_tn1172
         HA1    45 PHE  QD      6.30  # r   5    72600.0*2e   BmK-betaIT_tn1286
         HA2    36 TYR  HN      4.20 >#     2   288600.0  e   BmK-betaIT_tn1079
         HA2    36 TYR  QD      7.00  # r w 5    10659.0*2e   BmK-betaIT_D21383
         HA2    44 CYSS HA      4.20 >#     4   296460.0  e   BmK-betaIT_D21171
 36 TYR  
         HN     36 TYR  HA      5.00  #   w 2       77.0  e   BmK-betaIT_tn 251
         HN     36 TYR  HB2     4.90 <#     2   106500.0  e   BmK-betaIT_tn 250
         HN     36 TYR  HB3     5.00 >#   w 2     5077.0  e   BmK-betaIT_tn 249
         HN     36 TYR  QD      5.50  # r   1   746000.0*2e   BmK-betaIT_tn 670
         HN     43 TYR  HN      4.80  #     4   128400.0  e   BmK-betaIT_tn1190
         HN     43 TYR  HB2     4.40  #     5    68640.0  e   BmK-betaIT_D21081
         HN     44 CYSS HA      5.00  #   w 4    18430.0  e   BmK-betaIT_tn 655
         HA     36 TYR  HB2     3.00  #     2  2310000.0  e   BmK-betaIT_tn1202
         HA     36 TYR  HB3     2.60  #     2  4607000.0  e   BmK-betaIT_tn1004
         HA     36 TYR  QD      6.00  # m   1    85050.0*2e   BmK-betaIT_tn1139
         HA     37 CYSS HN      4.80  #     2   126300.0  e   BmK-betaIT_tn1096
         HB2    36 TYR  QD      5.00  # r   1  1727000.0*2e   BmK-betaIT_tn1138
         HB2    37 CYSS HN      3.10  #     2  1736000.0  e   BmK-betaIT_tn1084
         HB2    68 ILE  QD1     6.00  #   w 5M    5111.0  e   BmK-betaIT_tn1572
         HB3    36 TYR  QE      6.40  # r   1   186540.0*2e   BmK-betaIT_D2 511
         HB3    36 TYR  QD      5.10  # r   1  1588000.0*2e   BmK-betaIT_tn1137
         HB3    37 CYSS HN      3.50  #     2   790600.0  e   BmK-betaIT_tn1106
         QE     36 TYR  QD      6.80  # rr  1  3092500.0*4e   BmK-betaIT_tn 242
         QE     43 TYR  HB2     5.10 <# r   5   520800.0*2e   BmK-betaIT_D2 510
         QE     43 TYR  HB3     7.00 ># r w 5     7050.0*2e   BmK-betaIT_tn1502
         QE     43 TYR  QE      9.00  # rrw 5     5208.0*4e   BmK-betaIT_D21312
         QE     43 TYR  QD      8.00  # rr  5   121600.0*4e   BmK-betaIT_tn 513
         QE     45 PHE  HZ      4.90  # r   5   884500.0*2e   BmK-betaIT_tn1221
         QE     45 PHE  QE      7.30  # rr  5   345750.0*4e   BmK-betaIT_tn1226
         QE     64 CYSS HA      7.00  # r w 5     6918.0*2e   BmK-betaIT_D21370
         QE     64 CYSS QB      8.00  # rmw 5     2268.8*4e   BmK-betaIT_tn1583
         QE     67 GLN  HA      7.00  # r w 5     6759.0*2e   BmK-betaIT_D21394
         QE     67 GLN  HB2     6.00  # r   5   107300.0*2e   BmK-betaIT_tn1441
         QE     67 GLN  HB3     6.50  # r   5    55450.0*2e   BmK-betaIT_tn1355
         QE     67 GLN  HG3     5.60  # r   5   221650.0*2e   BmK-betaIT_tn1442
         QE     68 ILE  HA      7.00  # r w 5     2983.8*2e   BmK-betaIT_D21387
         QE     68 ILE  HB      5.80  # r   5   161910.0*2e   BmK-betaIT_D21402
         QE     68 ILE  QG2     8.00  # r w 5M   94320.0*2e   BmK-betaIT_D21326
         QE     68 ILE  HG12    7.00  # r w 5     6036.0*2e   BmK-betaIT_D21403
         QE     68 ILE  QD1     8.00  # r w 5M   52560.0*2e   BmK-betaIT_D21327
         QD     37 CYSS HN      5.20  # r   5   474000.0*2e   BmK-betaIT_tn 669
         QD     43 TYR  HB2     5.20  # r   5   486600.0*2e   BmK-betaIT_D21259
         QD     43 TYR  QD      9.00  # rrw 5    26190.0*4e   BmK-betaIT_D21311
         QD     45 PHE  HZ      5.60  # r   5   234810.0*2e   BmK-betaIT_D21322
         QD     45 PHE  QE      7.80  # rr  5   153900.0*4e   BmK-betaIT_D21323
         QD     67 GLN  HB2     6.30  # r   5    78400.0*2e   BmK-betaIT_tn1450
         QD     67 GLN  HG3     6.30  # r   5    79050.0*2e   BmK-betaIT_tn1449
         QD     68 ILE  HA      7.00  # r w 5     4065.0*2e   BmK-betaIT_D21386
         QD     68 ILE  QG2     8.00  # r w 5M   60600.0*2e   BmK-betaIT_D21347
         QD     68 ILE  QD1     8.00  # r w 5M   56220.0*2e   BmK-betaIT_D21348
 37 CYSS 
         HN     37 CYSS HA      4.60  #     2   165200.0  e   BmK-betaIT_tn1105
         HN     37 CYSS HB2     3.20  #     2  1363000.0  e   BmK-betaIT_tn 280
         HN     37 CYSS HB3     3.60  #     2   745100.0  e   BmK-betaIT_tn 279
         HA     37 CYSS HB2     3.30  #     2  1176000.0  e   BmK-betaIT_tn1493
         HA     37 CYSS HB3     3.30  #     2  1132000.0  e   BmK-betaIT_tn1492
         HA     38 CYSS HN      3.40  #     2  1066000.0  e   BmK-betaIT_tn 434
         HA     42 CYSS HA      4.80  #     4   128040.0  e   BmK-betaIT_D21174
 38 CYSS 
         HN     38 CYSS HA      3.70  #     2   638600.0  e   BmK-betaIT_tn 453
         HN     38 CYSS QB      3.80  # i   2  1428000.0*2e   BmK-betaIT_tn 488
         HN     40 LEU  HN      5.00  #   w 3    18320.0  e   BmK-betaIT_tn1610
         HN     41 SER  HN      4.00  #     3   216500.0  e   BmK-betaIT_tn1187
         HN     42 CYSS HA      5.00  #   w 3    13750.0  e   BmK-betaIT_tn 452
         HN     43 TYR  HN      5.00  #   w 4     7299.0  e   BmK-betaIT_tn1466
         HN     43 TYR  HB3     5.00  #   w 5    16220.0  e   BmK-betaIT_tn1516
         HA     39 LEU  HN      5.00  #   w 2    26910.0  e   BmK-betaIT_tn 443
         QB     64 CYSS QB      5.50  # mm  5   258500.0*4e   BmK-betaIT_tn1584
 39 LEU  
         HN     39 LEU  HA      2.70  #     2  4101000.0  e   BmK-betaIT_tn 106
         HN     39 LEU  HB2     5.00 >#   w 2    23110.0  e   BmK-betaIT_tn 105
         HN     39 LEU  HB3     3.40 <#     2  1075000.0  e   BmK-betaIT_tn 433
         HN     39 LEU  HG      5.00  #   w 1    49050.0  e   BmK-betaIT_tn 432
         HN     39 LEU  QQD     6.20  # q   1M 1502500.0*2e   BmK-betaIT_tn 431
         HN     40 LEU  HN      3.50  #     2   782300.0  e   BmK-betaIT_tn1071
         HN     63 TYR  QE      7.00  # r w 5     3615.5*2e   BmK-betaIT_tn1593
         HA     40 LEU  HN      3.70  #     2   627800.0  e   BmK-betaIT_tn1117
         HA     41 SER  HN      5.00  #     3    56700.0  e   BmK-betaIT_tn1595
         HA     63 TYR  QE      6.10  # r   5    93300.0*2e   BmK-betaIT_D21366
         HB2    57 LYS  QZ      3.90  # m   5   812500.0*2e   BmK-betaIT_tn1532
         HB3    57 LYS  QZ      4.30  # m   5   398050.0*2e   BmK-betaIT_tn1534
         HB3    63 TYR  QD      5.10  # r   5   578500.0*2e   BmK-betaIT_tn1606
         QQD    40 LEU  HN      7.40  #   w 5M   90300.0*2e   BmK-betaIT_tn1250
         QQD    57 LYS  QZ      7.90  # m   5M  283750.0*4e   BmK-betaIT_tn1535
         QQD    63 TYR  QE      8.30  # r   5M  562250.0*4e   BmK-betaIT_tn1620
         QQD    63 TYR  QD      8.40  # r   5M  543250.0*4e   BmK-betaIT_tn1619
 40 LEU  
         HN     40 LEU  HA      2.90  #     2  2885000.0  e   BmK-betaIT_tn 403
         HN     40 LEU  HB2     4.00  #     2   353500.0  e   BmK-betaIT_tn 392
         HN     40 LEU  HB3     3.70  #     2   645200.0  e   BmK-betaIT_tn 393
         HN     40 LEU  HG      3.00  #     1  1899000.0  e   BmK-betaIT_tn1065
         HN     40 LEU  QD1     4.30  #     1M  734300.0  e   BmK-betaIT_tn 405
         HN     41 SER  HN      3.30  #     2  1277000.0  e   BmK-betaIT_tn 406
         HA     41 SER  HN      3.50  #     2   774800.0  e   BmK-betaIT_tn 608
         HA     41 SER  HA      5.00  #   w 2    62460.0  e   BmK-betaIT_D21371
         HB2    40 LEU  HG      2.70  #     1  3938000.0  e   BmK-betaIT_tn1294
         HB2    41 SER  HA      5.00  #     2    94500.0  e   BmK-betaIT_D21379
         QD1    41 SER  HN      6.00  #   w 5M   18080.0  e   BmK-betaIT_tn1525
 41 SER  
         HN     41 SER  HA      4.00  #     2   354400.0  e   BmK-betaIT_tn  32
         HN     41 SER  QB      4.30  # i   2   578000.0*2e   BmK-betaIT_tn 138
         HA     41 SER  QB      4.00  # m   2  1946700.1*2e   BmK-betaIT_D2  33
         HA     42 CYSS HN      2.90  #     2  2461000.0  e   BmK-betaIT_tn 570
         QB     42 CYSS HN      4.50  # m   2   868500.0*2e   BmK-betaIT_tn1094
 42 CYSS 
         HN     42 CYSS HA      4.20  #     2   280100.0  e   BmK-betaIT_tn 451
         HN     42 CYSS HB2     3.10  #     2  1784000.0  e   BmK-betaIT_tn 386
         HN     42 CYSS HB3     3.30  #     2  1255000.0  e   BmK-betaIT_tn 387
         HA     42 CYSS HB2     3.10  #     2  1869000.1  e   BmK-betaIT_D21002
         HA     42 CYSS HB3     3.00  #     2  2009000.0  e   BmK-betaIT_tn1003
         HA     43 TYR  HN      2.80  #     2  3608000.0  e   BmK-betaIT_tn 381
         HA     43 TYR  HB2     3.80  #     2   512500.0  e   BmK-betaIT_tn1576
         HB2    43 TYR  HN      5.00 >#   w 2    16530.0  e   BmK-betaIT_D2 384
         HB3    43 TYR  HN      4.70 <#     2   145400.0  e   BmK-betaIT_tn 383
 43 TYR  
         HN     43 TYR  HA      5.00  #   w 2    48504.0  e   BmK-betaIT_D21078
         HN     43 TYR  HB2     3.20 <#     2  1429000.0  e   BmK-betaIT_tn 108
         HN     43 TYR  HB3     3.80 >#     2   525300.0  e   BmK-betaIT_tn 109
         HN     43 TYR  QD      7.00  # r w 1      188.5*2e   BmK-betaIT_tn 382
         HA     43 TYR  HB3     3.40  #     2  1064000.0  e   BmK-betaIT_tn1497
         HA     43 TYR  QE      5.60  # i w 1     7824.0*2e   BmK-betaIT_D21388
         HA     43 TYR  QD      4.90  # m   1   364200.0*2e   BmK-betaIT_D21156
         HA     44 CYSS HN      3.00  #     2  1944000.0  e   BmK-betaIT_tn1247
         HB2    43 TYR  QD      5.00  # r   1  1732500.0*2e   BmK-betaIT_tn 654
         HB2    44 CYSS HN      4.20 <#     2   267900.0  e   BmK-betaIT_tn 968
         HB2    45 PHE  QE      5.90  # r   5   138660.0*2e   BmK-betaIT_D21335
         HB3    43 TYR  QE      7.00  # r w 1    19347.0*2e   BmK-betaIT_D21375
         HB3    43 TYR  QD      5.30  # r   1  1062500.0*2e   BmK-betaIT_tn 653
         HB3    44 CYSS HN      5.00 >#   w 2    14360.0  e   BmK-betaIT_tn1501
         QE     43 TYR  QD      7.30  # rr  1  1030000.0*4e   BmK-betaIT_tn 126
         QE     45 PHE  HZ      5.70  # r   5   197280.0*2e   BmK-betaIT_D21228
         QE     45 PHE  QD      9.00  # rrw 5    26115.0*4e   BmK-betaIT_D2 347
         QE     45 PHE  QE      8.00  # rr  5   110325.0*4e   BmK-betaIT_D21227
         QE     56 ILE  HB      7.00  # r w 5    10722.0*2e   BmK-betaIT_D21372
         QE     56 ILE  QG2     8.00  # r w 5M    8735.0*2e   BmK-betaIT_tn1458
         QE     56 ILE  QD1     6.20  # r   5M 1457500.0*2e   BmK-betaIT_tn1348
         QE     64 CYSS HA      7.00  # r w 5      125.4*2e   BmK-betaIT_D21393
         QE     64 CYSS QB      7.20  # rm  5    90600.0*4e   BmK-betaIT_tn1579
         QE     65 ASP  HA      6.30  # r   5    75540.0*2e   BmK-betaIT_D21339
         QE     67 GLN  HB3     7.00  # r w 5    10715.0*2e   BmK-betaIT_tn1515
         QD     45 PHE  HZ      7.00  # r w 5    24261.0*2e   BmK-betaIT_D21294
         QD     45 PHE  QE      8.70  # rr  5    43785.0*4e   BmK-betaIT_D21286
         QD     56 ILE  QD1     8.00  # r w 5M   31330.0*2e   BmK-betaIT_tn1394
         QD     64 CYSS QB      8.00  # rmw 5     4325.0*4e   BmK-betaIT_tn1580
 44 CYSS 
         HN     44 CYSS HA      3.70  #     2   553000.0  e   BmK-betaIT_tn 373
         HN     44 CYSS HB2     4.00 >#     2   377600.0  e   BmK-betaIT_tn 228
         HN     44 CYSS HB3     3.20 <#     2  1366000.0  e   BmK-betaIT_tn 304
         HN     47 LEU  QD1     5.50  #     5M  301700.0  e   BmK-betaIT_tn1475
         HN     47 LEU  QD2     4.70  #     5M  750300.0  e   BmK-betaIT_tn1413
         HA     44 CYSS HB2     2.80  #     2  2952000.0  e   BmK-betaIT_D21169
         HA     44 CYSS HB3     3.20  #     2  1481000.0  e   BmK-betaIT_tn1170
         HA     45 PHE  HN      2.70  #     2  4037000.0  e   BmK-betaIT_tn1095
         HA     45 PHE  QD      6.30  # r   5    78750.0*2e   BmK-betaIT_D2 864
         HB2    45 PHE  HN      4.40 >#     2   214600.0  e   BmK-betaIT_tn 960
         HB2    47 LEU  QD2     4.10  #     5M 1715000.0  e   BmK-betaIT_tn1552
         HB3    45 PHE  HN      3.70 <#     2   633300.0  e   BmK-betaIT_tn 961
         HB3    47 LEU  HG      2.70  #     5  1145000.0  e   BmK-betaIT_tn1548
         HB3    47 LEU  QD1     3.60  #     5M 3709000.0  e   BmK-betaIT_tn1546
 45 PHE  
         HN     45 PHE  HB2     3.00 <#     2  2027000.0  e   BmK-betaIT_tn 239
         HN     45 PHE  HB3     3.60 >#     2   743700.0  e   BmK-betaIT_tn 240
         HN     45 PHE  QD      5.90  # r   1   395800.0*2e   BmK-betaIT_tn 591
         HA     45 PHE  QD      6.00  # m w 1     3528.0*2e   BmK-betaIT_D21289
         HA     46 GLY  HN      4.70  #     2   143300.0  e   BmK-betaIT_tn 860
         HB2    45 PHE  QD      5.20  # r   1  1292100.0*2e   BmK-betaIT_D2 358
         HB2    45 PHE  QE      7.00  # r   1    83040.0*2e   BmK-betaIT_D21325
         HB3    45 PHE  QD      5.40  # r   1   946200.1*2e   BmK-betaIT_D21258
         HB3    45 PHE  QE      7.00  # r w 1    68640.0*2e   BmK-betaIT_D21324
         HZ     45 PHE  QD      4.70  # r   1  3332500.0*2e   BmK-betaIT_tn 370
         HZ     65 ASP  HA      3.80  #     5   166020.0  e   BmK-betaIT_D21344
         HZ     67 GLN  HB3     4.10  #     5    98640.0  e   BmK-betaIT_D21331
         HZ     67 GLN  HG3     4.90  #     5    35202.0  e   BmK-betaIT_D21400
         HZ     68 ILE  HB      4.60  #     5    52210.0  e   BmK-betaIT_tn1359
         HZ     68 ILE  QG2     5.90  #     5M  195300.0  e   BmK-betaIT_tn1360
         QD     45 PHE  QE      6.90  # rr  1  2267500.0*4e   BmK-betaIT_tn 369
         QD     68 ILE  QG2     8.00  # r w 5M   74040.0*2e   BmK-betaIT_D21349
         QD     68 ILE  QD1     8.00  # r w 5M   86430.0*2e   BmK-betaIT_D21350
         QE     65 ASP  HA      5.60  # r   5   210660.0*2e   BmK-betaIT_D21343
         QE     66 VAL  HA      7.00  # r w 5     2970.9*2e   BmK-betaIT_D21353
         QE     67 GLN  HB2     7.00  # r w 5    22041.0*2e   BmK-betaIT_D21332
         QE     67 GLN  HB3     7.00  # r w 5    26706.0*2e   BmK-betaIT_D21330
         QE     67 GLN  HG3     7.00  # r w 5    15165.0*2e   BmK-betaIT_D21401
         QE     68 ILE  HB      6.10  # r   5   100250.0*2e   BmK-betaIT_tn1356
         QE     68 ILE  QG2     8.00  # r w 5M  127100.0*2e   BmK-betaIT_tn1358
         QE     68 ILE  HG12    7.00  # r w 5    20532.0*2e   BmK-betaIT_D21340
         QE     68 ILE  QD1     8.00  # r w 5M   30450.0*2e   BmK-betaIT_tn1357
         QE     69 ILE  QD1     8.00  # r w 5M  124530.0*2e   BmK-betaIT_D21341
 46 GLY  
         HN     46 GLY  HA1     3.00  #     2  2268000.0  r   BmK-betaIT_tn  73
         HN     46 GLY  HA2     3.00  #     2  2064000.0  r   BmK-betaIT_tn  72
         HN     47 LEU  HN      3.50  #     2   797800.0  e   BmK-betaIT_tn 735
         HA1    47 LEU  HN      4.30  #     2   223500.0  e   BmK-betaIT_tn 965
         HA2    47 LEU  HN      4.00  #     2   347900.0  e   BmK-betaIT_tn 964
 47 LEU  
         HN     47 LEU  HA      4.10  #     2   306800.0  e   BmK-betaIT_tn 374
         HN     47 LEU  QB      3.80  # i   2  1433000.0*2e   BmK-betaIT_tn 227
         HN     47 LEU  HG      2.70  #     1  3743000.0  e   BmK-betaIT_tn 377
         HN     47 LEU  QD1     5.10 >#     1M  263800.0  e   BmK-betaIT_tn 376
         HN     47 LEU  QD2     4.10 <#     1M  978500.0  e   BmK-betaIT_tn 375
         HA     48 ASP  HN      2.90  #     2  2486000.0  e   BmK-betaIT_tn1207
         HB3    47 LEU  QD2     4.00  #     1M 1166000.0  e   BmK-betaIT_tn1547
         QB     48 ASP  HN      5.60  # m   2   155100.0*2e   BmK-betaIT_tn1425
         QD1    48 ASP  HN      5.40  #     5M  336600.0  e   BmK-betaIT_tn1368
         QD2    51 LYS  HN      6.00  #   w 5M    5944.0  e   BmK-betaIT_tn1553
 48 ASP  
         HN     48 ASP  HB2     2.90  #     2  2640000.0  e   BmK-betaIT_tn 639
         HN     48 ASP  HB3     3.20  #     2  1431000.0  e   BmK-betaIT_tn 638
         HN     49 ASP  HN      4.20  #     2   280900.0  e   BmK-betaIT_tn1630
         HA     49 ASP  HN      5.00  #   w 2    74960.0  e   BmK-betaIT_tn1632
         HB2    49 ASP  HN      3.40 >#     2   944800.0  e   BmK-betaIT_tn1252
         HB3    49 ASP  HN      2.90 <#     2  2749000.0  e   BmK-betaIT_tn1104
 49 ASP  
         HN     49 ASP  HA      3.40  #     2  1032000.0  e   BmK-betaIT_tn1069
         HN     49 ASP  HB2     2.70  #     2  3995000.0  e   BmK-betaIT_tn1068
         HN     49 ASP  HB3     3.10  #     2  1769000.0  e   BmK-betaIT_tn1067
         HA     49 ASP  HB2     2.90  #     2  2901000.0  e   BmK-betaIT_tn1012
         HA     49 ASP  HB3     3.10  #     2  1715000.0  e   BmK-betaIT_tn1275
         HA     50 ASP  HN      5.00  #     2    97500.0  e   BmK-betaIT_tn1631
         HB2    50 ASP  HN      3.80  #     2   492000.0  e   BmK-betaIT_tn1255
         HB3    50 ASP  HN      3.60  #     2   759800.0  e   BmK-betaIT_tn1253
 50 ASP  
         HN     50 ASP  HA      3.70  #     2   554800.0  e   BmK-betaIT_tn 742
         HN     50 ASP  HB2     3.40  #     2  1021000.0  e   BmK-betaIT_tn 301
         HN     50 ASP  HB3     3.40  #     2  1020000.0  e   BmK-betaIT_tn 705
         HN     51 LYS  HN      3.30  #     2  1118000.0  e   BmK-betaIT_tn 835
         HA     51 LYS  HN      5.00  #   w 2    19710.0  e   BmK-betaIT_tn 969
         HB3    51 LYS  HN      3.70  #     2   603200.0  e   BmK-betaIT_tn1472
 51 LYS  
         HN     51 LYS  HA      3.40  #     2   916800.0  e   BmK-betaIT_tn 832
         HN     51 LYS  QB      3.80  # i   2  1393500.0*2e   BmK-betaIT_tn 706
         HN     51 LYS  QG      4.70  # m   1   511500.0*2e   BmK-betaIT_tn 718
         HN     51 LYS  HD2     3.40  #     1   824900.0  e   BmK-betaIT_tn 720
         HN     51 LYS  HD3     3.30  #     1   985100.0  e   BmK-betaIT_tn 719
         HN     52 ALA  HN      3.40  #     2   929100.0  e   BmK-betaIT_tn 712
         HA     52 ALA  HN      3.60  #     2   752600.0  e   BmK-betaIT_tn1186
 52 ALA  
         HN     52 ALA  HA      2.90  #     2  2888000.0  e   BmK-betaIT_tn 163
         HN     52 ALA  QB      3.50  #   s 2M 1767000.0  e   BmK-betaIT_tn 162
         HN     53 VAL  HN      3.70  #     2   645600.0  e   BmK-betaIT_tn 710
         HA     53 VAL  HN      2.50  #   s 2  6804000.0  e   BmK-betaIT_tn 553
 53 VAL  
         HN     53 VAL  HA      3.10  #     2  1759000.0  e   BmK-betaIT_tn 325
         HN     53 VAL  HB      3.70  #     2   564900.0  e   BmK-betaIT_tn 324
         HN     53 VAL  QG1     4.20  #     1M  823600.0  e   BmK-betaIT_tn 322
         HN     53 VAL  QG2     3.70  #     1M 1903000.0  e   BmK-betaIT_tn 323
         HA     53 VAL  HB      2.80  #     2  3069600.0  e   BmK-betaIT_D2 753
         HA     53 VAL  QG1     3.50 <#   s 1M 2997600.0  e   BmK-betaIT_D2 752
         HA     53 VAL  QG2     4.10 >#     1M 1006000.0  e   BmK-betaIT_tn 751
         HA     54 LEU  HN      3.50  #     2   841200.0  e   BmK-betaIT_tn1235
         HB     53 VAL  QG1     3.50  #   s 1M 8318000.0  e   BmK-betaIT_tn1291
         HB     53 VAL  QG2     3.50  #   s 1M 6919000.0  e   BmK-betaIT_tn1290
         HB     54 LEU  HN      4.20  #     2   275300.0  e   BmK-betaIT_tn1523
 54 LEU  
         HN     54 LEU  HA      3.10  #     2  1894000.0  r   BmK-betaIT_tn 292
         HN     54 LEU  HB2     3.40  #     2  1081000.0  e   BmK-betaIT_tn 593
         HN     54 LEU  HB3     3.50  #     2   808300.0  e   BmK-betaIT_tn 157
         HN     54 LEU  HG      4.60  #     1   147000.0  e   BmK-betaIT_tn 290
         HN     54 LEU  QD1     4.40 <#     1M  622300.0  e   BmK-betaIT_tn 597
         HN     54 LEU  QD2     5.20 >#     1M  230000.0  e   BmK-betaIT_tn 784
         HN     55 LYS  HN      4.60  #     2   164200.0  e   BmK-betaIT_tn 831
         HA     55 LYS  HN      3.00  #     2  2257000.0  e   BmK-betaIT_tn 571
         HB2    55 LYS  HN      3.40 <#     2   923200.0  e   BmK-betaIT_tn1316
         HB3    55 LYS  HN      4.60 >#     2   159400.0  e   BmK-betaIT_tn1318
         HG     55 LYS  HN      3.40  #     5   317700.0  e   BmK-betaIT_tn1317
         QD1    55 LYS  HN      4.70  #     5M  710100.0  e   BmK-betaIT_tn1319
         QD2    55 LYS  HN      5.30  #     5M  350600.0  e   BmK-betaIT_tn1320
 55 LYS  
         HN     55 LYS  HA      2.90  #     2  2648000.0  e   BmK-betaIT_tn 234
         HN     55 LYS  QB      3.20  # i   2  4684000.0*2e   BmK-betaIT_tn 542
         HN     55 LYS  QG      4.80  # m   1   434000.0*2e   BmK-betaIT_tn1028
         HN     55 LYS  QD      4.80  # m   1   458900.0*2e   BmK-betaIT_tn 543
         HA     56 ILE  HN      2.50  #   s 2  9268000.0  e   BmK-betaIT_tn1116
         QB     56 ILE  HN      4.80  # m   2   506500.0*2e   BmK-betaIT_tn1257
 56 ILE  
         HN     56 ILE  HB      4.70  #     2   130800.0  e   BmK-betaIT_tn 802
         HN     56 ILE  QG2     3.90  #     1M 1242000.0  e   BmK-betaIT_tn 657
         HN     56 ILE  HG12    3.10  #     1  1659000.0  e   BmK-betaIT_tn1033
         HN     56 ILE  HG13    3.10  #     1  1580000.0  e   BmK-betaIT_tn1032
         HN     56 ILE  QD1     4.40  #     1M  639500.0  e   BmK-betaIT_tn1029
         HN     57 LYS  HN      5.00  #   w 2    49100.0  e   BmK-betaIT_tn 744
         HA     56 ILE  HB      3.50  #     2   882000.1  e   BmK-betaIT_D21302
         HA     56 ILE  QG2     3.70  #     1M 1676400.1  e   BmK-betaIT_D21381
         HA     57 LYS  HN      4.50  #     2   190300.0  e   BmK-betaIT_tn 803
         HB     56 ILE  QG2     3.50  #   s 1M 4156000.0  e   BmK-betaIT_tn1292
         HB     56 ILE  QD1     3.50  #   s 1M 2993000.0  e   BmK-betaIT_tn1293
         HB     57 LYS  HN      3.00  #     2  2256000.0  e   BmK-betaIT_tn1184
         QD1    57 LYS  HN      6.00  #   w 5M   50230.0  e   BmK-betaIT_tn1393
 57 LYS  
         HN     57 LYS  HA      2.90  #     2  2831000.0  e   BmK-betaIT_tn 701
         HN     57 LYS  HB2     3.20  #     2  1568000.0  e   BmK-betaIT_tn 235
         HN     57 LYS  HB3     3.60  #     2   739200.0  e   BmK-betaIT_tn 546
         HN     57 LYS  QG      4.70  # m   1   533000.0*2e   BmK-betaIT_tn1027
         HN     57 LYS  QD      4.90  # m   1   367050.0*2e   BmK-betaIT_tn 237
         HN     58 ASP  HN      5.00  #   w 2    14760.0  e   BmK-betaIT_tn1465
         HA     58 ASP  HN      3.00  #     2  2091000.0  e   BmK-betaIT_tn1241
         HB2    58 ASP  HN      3.50  #     2   886200.0  e   BmK-betaIT_tn 678
         HB2    59 ALA  HN      4.50  #     3   109200.0  e   BmK-betaIT_tn1478
         HB2    60 THR  HN      3.80  #     3   307300.0  e   BmK-betaIT_tn1285
         HB3    58 ASP  HN      3.80  #     2   536800.0  e   BmK-betaIT_tn 677
         HB3    59 ALA  HN      4.60  #     3    98800.0  e   BmK-betaIT_tn1477
         HB3    60 THR  HN      3.60  #     3   401000.0  e   BmK-betaIT_tn1284
         QD     60 THR  HN      4.80  # m   5   165400.0*2e   BmK-betaIT_tn1400
 58 ASP  
         HN     58 ASP  HA      3.00  #     2  2250000.0  e   BmK-betaIT_tn 484
         HN     58 ASP  HB2     3.10  #     2  1781000.0  e   BmK-betaIT_tn 652
         HN     58 ASP  HB3     3.20  #     2  1390000.0  e   BmK-betaIT_tn 483
         HA     59 ALA  HN      4.00  #     2   353100.0  e   BmK-betaIT_tn1131
         HA     61 LYS  HN      3.40  #     3   619100.0  e   BmK-betaIT_tn 692
         HA     61 LYS  HB3     3.00  #     3  1187000.0  e   BmK-betaIT_tn1597
         HA     62 SER  HN      4.30  #     3   149400.0  e   BmK-betaIT_tn1599
         HB2    59 ALA  HN      3.40  #     2  1072000.0  e   BmK-betaIT_tn 700
         HB3    59 ALA  HN      3.20  #     2  1400000.0  e   BmK-betaIT_tn 699
 59 ALA  
         HN     59 ALA  HA      3.20  #     2  1520000.0  e   BmK-betaIT_tn 120
         HN     59 ALA  QB      3.50  #   s 2M 7189000.0  e   BmK-betaIT_tn 487
         HN     60 THR  HN      3.50  #     2   822400.0  e   BmK-betaIT_tn 592
         HA     60 THR  HN      3.60  #     2   752600.0  e   BmK-betaIT_tn1392
         HA     61 LYS  HN      5.00  #   w 3    26700.0  e   BmK-betaIT_tn1544
         HA     62 SER  HN      3.60  #     3   429900.0  e   BmK-betaIT_tn1601
         HA     62 SER  QB      4.40  # m   3   589000.0*2e   BmK-betaIT_tn1604
 60 THR  
         HN     60 THR  HA      2.90  #     2  2566000.0  e   BmK-betaIT_tn  24
         HN     60 THR  HB      4.10  #     2   325400.0  e   BmK-betaIT_tn  21
         HN     60 THR  QG2     3.50  #   s 1M 4816000.0  e   BmK-betaIT_tn  22
         HN     61 LYS  HN      3.40  #     2  1018000.0  e   BmK-betaIT_tn 838
         HA     61 LYS  HN      3.70  #     2   620600.0  e   BmK-betaIT_tn 691
         HA     63 TYR  HB2     3.20  #     3   949600.0  e   BmK-betaIT_tn1618
         HA     63 TYR  HB3     3.20  #     3   817200.0  e   BmK-betaIT_tn1617
         HB     61 LYS  HN      4.50  #     2   176100.0  e   BmK-betaIT_tn 693
 61 LYS  
         HN     61 LYS  HA      3.00  #     2  2275000.0  e   BmK-betaIT_tn 414
         HN     61 LYS  HB2     3.50  #     2   894800.0  e   BmK-betaIT_tn 458
         HN     61 LYS  QG      4.80  # m   1   485250.0*2e   BmK-betaIT_tn1479
         HN     61 LYS  HD2     4.00  #     1   339000.0  e   BmK-betaIT_tn1019
         HN     61 LYS  HD3     4.20  #     1   243400.0  e   BmK-betaIT_tn1020
         HN     62 SER  HN      3.20  #     2  1404000.0  e   BmK-betaIT_tn 836
         HA     61 LYS  HB2     3.10  #     2  1835000.0  e   BmK-betaIT_tn 995
         HA     61 LYS  HB3     3.00  #     2  1988000.0  e   BmK-betaIT_tn1194
         HA     62 SER  HN      4.10  #     2   334200.0  e   BmK-betaIT_tn1103
         HA     64 CYSS HN      3.60  #     3   457400.0  e   BmK-betaIT_tn1600
         HA     64 CYSS QB      5.50  # m   3   110700.0*2e   BmK-betaIT_tn1605
         HB2    62 SER  HN      3.50  #     2   857000.0  e   BmK-betaIT_tn1179
 62 SER  
         HN     62 SER  HA      2.90  #     2  2452000.0  e   BmK-betaIT_tn 819
         HN     62 SER  QB      3.70  # i   2  1784500.0*2e   BmK-betaIT_tn 818
         HN     63 TYR  HN      3.30  #     2  1095000.0  e   BmK-betaIT_tn1609
         HA     63 TYR  HN      3.60  #     2   726600.0  e   BmK-betaIT_tn1470
         HA     65 ASP  HN      3.70  #     3   381500.0  e   BmK-betaIT_tn1417
         HA     65 ASP  HB3     3.40  #     3   612600.0  e   BmK-betaIT_tn1598
         QB     63 TYR  HN      4.90  # m   2   461750.0*2e   BmK-betaIT_tn1469
 63 TYR  
         HN     63 TYR  HA      3.00  #     2  2242000.0  e   BmK-betaIT_tn 616
         HN     63 TYR  HB2     3.00  #     2  2324000.0  e   BmK-betaIT_tn  61
         HN     63 TYR  HB3     2.90  #     2  2372000.0  e   BmK-betaIT_tn1066
         HN     64 CYSS HN      3.10  #     2  1776000.0  e   BmK-betaIT_tn 823
         HN     65 ASP  HN      5.00  #   w 3    13150.0  e   BmK-betaIT_tn 970
         HA     63 TYR  HB2     3.00  #     2  2072400.1  e   BmK-betaIT_D2 499
         HA     63 TYR  HB3     3.10  #     2  1870000.0  e   BmK-betaIT_tn1592
         HA     63 TYR  QE      5.60  # i w 1    56800.0*2e   BmK-betaIT_tn1232
         HA     63 TYR  QD      4.10  # m   1  1624500.0*2e   BmK-betaIT_tn 586
         HB2    63 TYR  QD      5.20  # r   1  1376400.0*2e   BmK-betaIT_D21146
         HB2    64 CYSS HN      3.70  #     2   589000.0  e   BmK-betaIT_tn1099
         HB3    63 TYR  QD      5.20  # r   1  1392600.0*2e   BmK-betaIT_D21147
         HB3    64 CYSS HN      3.70  #     2   610400.0  e   BmK-betaIT_tn1098
         QE     63 TYR  QD      6.50  # rrs 1  5160000.0*4e   BmK-betaIT_tn 283
         QD     64 CYSS HN      5.30  # r   5   403850.0*2e   BmK-betaIT_tn 521
         QD     64 CYSS HA      5.70  # r   5   198660.0*2e   BmK-betaIT_D2 900
 64 CYSS 
         HN     64 CYSS HA      3.30  #     2  1253000.0  e   BmK-betaIT_tn  88
         HN     64 CYSS QB      4.40  # i   2   500000.0*2e   BmK-betaIT_tn1566
         HN     65 ASP  HN      3.20  #     2  1518000.0  e   BmK-betaIT_tn 821
         HA     65 ASP  HN      3.10  #     2  1889000.0  e   BmK-betaIT_tn 966
         QB     65 ASP  HN      6.00  # m w 2    24170.0*2e   BmK-betaIT_tn1581
 65 ASP  
         HN     65 ASP  HB2     2.90  #     2  2556000.0  e   BmK-betaIT_tn 492
         HN     65 ASP  HB3     2.90  #     2  2537000.0  e   BmK-betaIT_tn 493
         HN     66 VAL  HN      3.20  #     2  1394000.0  e   BmK-betaIT_tn 522
         HA     65 ASP  HB3     3.30  #     2  1162200.0  e   BmK-betaIT_D21337
         HB2    66 VAL  HN      3.70  #     2   612200.0  e   BmK-betaIT_tn1258
         HB3    66 VAL  HN      3.50  #     2   794300.0  e   BmK-betaIT_tn1259
 66 VAL  
         HN     66 VAL  HA      2.90  #     2  2500000.0  e   BmK-betaIT_tn  41
         HN     66 VAL  HB      2.80  #     2  3292000.0  e   BmK-betaIT_tn  26
         HN     66 VAL  QQG     5.20  # s s 1M 4358500.0*2e   BmK-betaIT_tn  27
         HA     67 GLN  HN      3.40  #     2   964300.0  e   BmK-betaIT_tn1046
         HB     67 GLN  HN      3.90  #     2   451900.0  e   BmK-betaIT_tn1114
         QQG    67 GLN  HN      5.80  #     5M 1060500.0*2e   BmK-betaIT_tn1180
 67 GLN  
         HN     67 GLN  HA      3.00  #     2  2239000.0  e   BmK-betaIT_tn 807
         HN     67 GLN  HB2     3.30  #     2  1209000.0  e   BmK-betaIT_tn1233
         HN     67 GLN  HB3     3.40  #     2  1046000.0  e   BmK-betaIT_tn 178
         HN     67 GLN  HG2     3.20  #     1  1310000.0  e   BmK-betaIT_tn1077
         HN     67 GLN  HG3     3.70  #     1   526200.0  e   BmK-betaIT_tn 607
         HN     68 ILE  HN      3.20  #     2  1536000.0  e   BmK-betaIT_tn 844
         HA     68 ILE  HN      3.60  #     2   710200.0  e   BmK-betaIT_tn 747
         HB2    68 ILE  HN      3.70  #     2   623200.0  e   BmK-betaIT_tn 615
         HB3    68 ILE  HN      4.00  #     2   346700.0  e   BmK-betaIT_tn 614
         HG2    67 GLN  HE21    3.90  #     1   366400.0  e   BmK-betaIT_tn1510
         HG2    67 GLN  HE22    3.10  #     1  1647000.0  e   BmK-betaIT_tn1313
         HG3    67 GLN  HE21    4.10  #     1   283900.0  e   BmK-betaIT_tn1511
         HG3    67 GLN  HE22    3.00  #     1  1872000.0  e   BmK-betaIT_tn1314
 68 ILE  
         HN     68 ILE  HA      3.10  #     2  1834000.0  e   BmK-betaIT_tn 424
         HN     68 ILE  HB      3.40  #     2  1056000.0  e   BmK-betaIT_tn  79
         HN     68 ILE  QG2     4.30  #     1M  663600.0  e   BmK-betaIT_tn 603
         HN     68 ILE  HG12    3.80  #     1   440800.0  e   BmK-betaIT_tn 423
         HN     68 ILE  HG13    3.50  #     1   767900.0  e   BmK-betaIT_tn 422
         HN     68 ILE  QD1     5.10  #     1M  255500.0  e   BmK-betaIT_tn  80
         HN     69 ILE  HN      3.10  #     2  1786000.0  e   BmK-betaIT_tn 805
         HA     68 ILE  HB      3.30  #     2  1102000.0  e   BmK-betaIT_tn1296
         HA     68 ILE  QG2     4.00  #     1M 1055000.0  e   BmK-betaIT_tn1298
         HA     68 ILE  HG12    3.30  #     1   971400.0  e   BmK-betaIT_tn1297
         HA     68 ILE  HG13    3.60  #     1   635000.0  e   BmK-betaIT_tn1300
         HA     68 ILE  QD1     4.50  #     1M  510300.0  e   BmK-betaIT_tn1299
         HA     69 ILE  HN      3.60  #     2   683000.0  e   BmK-betaIT_tn 694
         HB     69 ILE  HN      4.10  #     2   297600.0  e   BmK-betaIT_tn1367
         QG2    69 ILE  HN      5.40  #     5M  340100.0  e   BmK-betaIT_tn1323
 69 ILE  
         HN     69 ILE  HA      3.20  #     2  1397000.0  e   BmK-betaIT_tn  42
         HN     69 ILE  HB      3.20  #     2  1559000.0  e   BmK-betaIT_tn  43
         HN     69 ILE  QG2     5.50  #     1M  160500.0  e   BmK-betaIT_tn  44
         HN     69 ILE  HG12    3.70  #     1   533400.0  e   BmK-betaIT_tn 408
         HN     69 ILE  HG13    3.70  #     1   531600.0  e   BmK-betaIT_tn 409
         HN     69 ILE  QD1     5.50  #     1M  160400.0  e   BmK-betaIT_tn  45


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Contact the webmaster for help, if required. Tuesday, June 25, 2024 6:33:44 AM GMT (wattos1)