*HEADER   ELECTRON TRANSPORT                      22-MAY-97   1AKK    
*TITLE    SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C,    
*TITLE   2 NMR, MINIMIZED AVERAGE STRUCTURE                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYTOCHROME C;                                    
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS;                       
*SOURCE  3 ORGANISM_COMMON: HORSE;                                    
*SOURCE  4 ORGAN: HEART                                               
*KEYWDS   ELECTRON TRANSPORT, CYTOCHROME C                            
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   L.BANCI,I.BERTINI,H.B.GRAY,C.LUCHINAT,T.REDDIG,A.ROSATO,    
*AUTHOR  2 P.TURANO                                                   
*REVDAT  1   17-SEP-97 1AKK    0                                      

   134 LTNS
         ME     18 HEM  FE      0.20  5.00E+00
 14 CYSS
         SG     18 HEM  CAB     2.10  3.00E+00
 17 CYSS
         SG     18 HEM  CAC     2.10  3.00E+00
 18 HEM
         FE     80 MET  SD      2.50  3.00E+00
 18 HEM
         HE1    30 PRO  HG3     4.00
         HE1    30 PRO  HG2     4.00
         HE1    30 PRO  HD3     4.00
         HE1    30 PRO  HD2     4.00
         HE1    30 PRO  HB2     5.50
         HE1    30 PRO  HB3     5.50
         HE1    30 PRO  HA      5.50
         HE1    29 GLY  HA2     5.50
         HE1    18 HEM  QM5     6.50
         HE1    18 HEM  QM8     6.50
 80 MET
         HG2    18 HEM  QM5     5.50
         HG2    82 PHE  QB      5.50
         HG2    81 ILE  HA      5.50
         HG2    82 PHE  HA      5.50
         HG2    18 HEM  QM3     6.50
         QE     68 LEU  QD2     6.50
         QE     80 MET  HB2     6.50
         QE     18 HEM  QM1     6.50
         QE     18 HEM  QM3     6.50
         QE     18 HEM  QM8     6.50

 67 TYR
         HH     18 HEM  HAP72   6.50
         HH     18 HEM  HAP71   6.50
         HH     18 HEM  HBP74   6.50
         HH     18 HEM  QM8     6.50
         HH     80 MET  HB2     6.50
         HH     80 MET  QE      6.50
         HH     59 TRP  HH2     6.50
         HH     68 LEU  QD2     6.50
103 ASN
         HN    101 ALA  O       2.40
         N     101 ALA  O       3.40

102 THR 
         HN     98 LEU  O       2.40
         N      98 LEU  O       3.40

101 ALA  
         HN     97 TYR  O       2.40
         N      97 TYR  O       3.40

100 LYS+ 
         HN     97 TYR  O       2.40
         N      97 TYR  O       3.40

 99 LYS+ 
         HN     95 ILE  O       2.40
         N      95 ILE  O       3.40

 98 LEU
         HN     94 LEU  O       2.40
         N      94 LEU  O       3.40

 94 LEU
         HN     90 GLU- O       2.40
         N      90 GLU- O       3.40

 93 ASP-
         HN     89 THR  O       2.40
         N      89 THR  O       3.40

 68 LEU
         HN     64 LEU  O       2.40
         N      64 LEU  O       3.40

 65 MET 
         HN     61 GLU- O       2.40
         N      61 GLU- O       3.40

 64 LEU
         HN     60 LYS+ O       2.40
         N      60 LYS+ O       3.40

 14 CYSS
         HN     11 VAL  O       2.40
         N      11 VAL  O       3.40

 13 LYS+
         HN     10 PHE  O       2.40
         N      10 PHE  O       3.40

  9 ILE
         HN      6 GLY  O       2.40
         N       6 GLY  O       3.40

  1 GLY  
         HN      1 GLY  HA1     3.60  #     2    11990.0  e   feb13    806 G
         HN      1 GLY  HA2     3.30  #     2    18210.0  e   feb13    805 G
         HN      2 ASP- HN      4.60  #     2     2737.0  e   feb13   1380 G
         HN     86 LYS+ HE3     6.50  #   w 5      376.0  e   feb13   3539
         HN     96 ALA  QB      5.20  #     5M    8530.0  e   feb13   2351
         HA1     2 ASP- HN      3.30  #     2    19890.0  e   feb13    809 G
         HA1    93 ASP- HA      2.80  #     4    21800.0  e   feb13   2358
         HA1    96 ALA  HA      4.20  #     4     1680.0  e   feb13   3647
         HA1    96 ALA  QB      4.30 <#     5M   24300.0  e   feb13   2359
         HA2     2 ASP- HN      3.40  #     2    16560.0  e   feb13    810 G
         HA2    93 ASP- HN      3.90  #     4     2821.0  e   feb13   2356
         HA2    96 ALA  QB      5.10 >#     5M    9389.0  e   feb13   2361
  2 ASP- 
         HN      2 ASP- HA      6.00  #     2      532.0  e   feb13   1298 G
         HN      2 ASP- HB2     3.40  #     2    15700.0  e   feb13    814 G
         HN      2 ASP- HB3     3.60  #     2    11950.0  e   feb13    812 G
         HN      3 VAL  HN      6.50  #   w 2      293.0  e   feb13   2363
         HN      5 LYS+ HN      5.80  #     3      395.0  e   feb13   2367
         HN      5 LYS+ QB      5.80  # m   3     1195.5*2e   feb13   2365
         HN      5 LYS+ QD      7.50  # m w 5      412.0*2e   feb13   2369
         HN      6 GLY  HN      6.50  #     3      207.0  e   feb13   2373
         HN     93 ASP- HA      3.50  #     4     5063.0  e   feb13   2374
         HN     96 ALA  HN      5.30  #     4      434.0  e   feb13   2379
         HN     96 ALA  HA      4.70  #     4      870.0  e   feb13   2381
         HN     96 ALA  QB      5.50  #     5M    6398.0  e   feb13   2376
         HA      3 VAL  HN      4.10  #     2     5118.0  e   feb13    828 G
         HA      3 VAL  QG1     6.60 <#     5M    2741.0  e   feb13   2394
         HA      3 VAL  QG2     7.50 >#   w 5M     776.0  e   feb13   2395
         HB2     3 VAL  HN      6.50  #   w 2      292.0  e   feb13   2398
         HB2     3 VAL  HA      5.20  #     2     1231.0  e   feb13   2400
         HB2     5 LYS+ HN      3.80  #     3     5562.0  e   feb13   2383
         HB2     5 LYS+ QB      6.10  # m   5     2280.5*2e   feb13   2385
         HB2     6 GLY  HN      6.30 >#     3      255.0  e   feb13   2403
         HB3     3 VAL  HN      6.10  #     2      474.0  e   feb13   1382
         HB3     3 VAL  QG1     6.90  #     5M    2130.0  e   feb13   2392
         HB3     3 VAL  QG2     7.30  #     5M    1602.0  e   feb13   2393
         HB3     4 GLU- HN      4.90  #     3     1058.0  e   feb13   3701
         HB3     5 LYS+ HA      5.50  #     3      580.0  e   feb13   2389
         HB3     6 GLY  HN      4.70 <#     3     1514.0  e   feb13   2404
  3 VAL  
         HN      3 VAL  HA      3.80  #     2     8426.0  e   feb13    361
         HN      3 VAL  HB      3.60  #     2    10960.0  e   feb13    820
         HN      3 VAL  QG1     4.50  #     1M   24150.0  e   feb13    363
         HN      3 VAL  QG2     5.10  #     1M   11400.0  e   feb13   1307
         HN      4 GLU- HN      3.10  #     2    28230.0  e   feb13   2407
         HN      4 GLU- HA      6.50  #   w 2       87.0  e   feb13   2405
         HN     96 ALA  QB      5.60  #     5M    6310.0  e   feb13   2430
         HA      3 VAL  HB      3.30  #     2    18660.0  e   feb13    824
         HA      3 VAL  QG1     4.40  #     1M   30940.0  e   feb13    823
         HA      3 VAL  QG2     4.50  #     1M   26980.0  e   feb13   1305
         HA      4 GLU- HN      4.20  #     2     4330.0  e   feb13    830
         HA      4 GLU- HA      6.10  #     2      452.0  e   feb13   2408
         HA      6 GLY  HN      4.30  #     3     2480.0  e   feb13   1856
         HA      6 GLY  HA1     6.50  #   w 3      145.0  e   feb13   1876
         HA      7 LYS+ HN      4.50  #     3     1968.0  e   feb13   1857
         HA     96 ALA  QB      5.20  #     5M    8736.0  e   feb13   2425
         HB      3 VAL  QG1     3.80  #     1M   75630.0  e   feb13    825
         HB      3 VAL  QG2     3.70  #     1M   82550.0  e   feb13   1306
         QG1     4 GLU- HN      5.40  #     5M    7117.0  e   feb13   2410
         QG1     4 GLU- HA      6.50  #     5M    2868.0  e   feb13   2413
         QG1     7 LYS+ QB      6.10  # m   5M    9840.0*2e   feb13   2418
         QG1    96 ALA  HA      7.50  #   w 5M     629.0  e   feb13   2424
         QG1    97 TYR  HD1     7.20  #     5M    1744.0  e   feb13   4157
         QG1   100 LYS+ QE      8.00  # m   5M    1926.5*2e   feb13   2439
         QG2     4 GLU- HN      5.80  #     5M    4933.0  e   feb13   2409
         QG2     4 GLU- HA      5.80  #     5M    4927.0  e   feb13   2412
         QG2     7 LYS+ HN      7.50  #   w 5M     651.0  e   feb13   2420
         QG2     7 LYS+ QB      6.10  # m   5M   10185.0*2e   feb13   2419
         QG2    96 ALA  HN      6.60  #     5M    2552.0  e   feb13   2428
         QG2    96 ALA  HA      7.50  #   w 5M     815.0  e   feb13   2423
         QG2    97 TYR  HA      3.90  #     5M   39600.0  e   feb13   3194
         QG2   100 LYS+ QE      8.00  # m   5M    1907.5*2e   feb13   2436
  4 GLU- 
         HN      4 GLU- HA      3.40  #     2    16260.0  e   feb13   1827
         HN      4 GLU- HB2     3.10  #     2    30210.0  e   feb13   1216
         HN      4 GLU- HB3     3.10  #     2    27920.0  e   feb13   1309
         HN      4 GLU- HG2     4.70  #     1     5844.0  e   feb13   1214
         HN      4 GLU- HG3     4.20  #     1    10940.0  e   feb13   1215
         HN      6 GLY  HN      3.80  #     3     5681.0  e   feb13   1878
         HA      4 GLU- HB2     3.50  #     2    13920.0  e   feb13   1824
         HA      4 GLU- HB3     3.20  #     2    21990.0  e   feb13    831
         HA      4 GLU- HG2     4.20  #     1    11120.0  e   feb13   1826
         HA      4 GLU- HG3     4.20  #     1    11570.0  e   feb13   1825
         HA      5 LYS+ HN      5.00  #     2     1597.0  e   feb13   2456
         HA      7 LYS+ HN      4.00  #     3     3889.0  e   feb13   3654
         HA      7 LYS+ QB      5.20  # m   3     2870.5*2e   feb13   2472
         HA      7 LYS+ QG      6.90  # m   5     1076.0*2e   feb13   3657
         HA      7 LYS+ QD      7.50  # m w 5      163.5*2e   feb13   3656
  5 LYS+ 
         HN      5 LYS+ HA      3.70  #     2     9868.0  e   feb13   1858
         HN      5 LYS+ QB      4.30  # i   2     9205.0*2e   feb13   1868
         HN      5 LYS+ QD      7.50  # m w 1      173.0*2e   feb13   1862
         HN      6 GLY  HN      4.10  #     2     4942.0  e   feb13   1877
         HN     93 ASP- QB      7.50  # m w 5      235.0*2e   feb13   4216
         HA      5 LYS+ QB      4.40  # m   2    15115.0*2e   feb13   1867
         HA      5 LYS+ QG      7.10  # i w 1      606.0*2e   feb13   2388
         HA      5 LYS+ QD      6.70  # m   1     1813.0*2e   feb13   1864
         HA      6 GLY  HN      4.50  #     2     2791.0  e   feb13   1874
         QB      5 LYS+ QG      6.00  # mm  1    14260.0*4e   feb13   1869
         QB      6 GLY  HN      5.00  # m   2     5805.0*2e   feb13   2484
         QB      6 GLY  HA2     5.30  # m   2     3862.0*2e   feb13   2485
         QD      5 LYS+ QE      8.50  # mmw 1       58.5*4e   feb13   1866
         QE      9 ILE  QD1     8.50  # m w 5M     961.5*2e   feb13   3546
  6 GLY  
         HN      6 GLY  HA1     4.10  #     2     5057.0  e   feb13   1219
         HN      6 GLY  HA2     3.70  #     2     9553.0  e   feb13   1221
         HN      7 LYS+ HN      4.10  #     2     4863.0  e   feb13   2496
         HN      8 LYS+ HN      5.70  #     3      427.0  e   feb13   2498
         HN      9 ILE  HN      6.50  #   w 3       62.0  e   feb13   3663
         HN      9 ILE  QG2     7.50  #   w 5M      59.0  e   feb13   2502
         HN      9 ILE  QG1     7.50  # m w 5      351.0*2e   feb13   2483
         HN     93 ASP- QB      6.40  # m   5     1676.5*2e   feb13   3662
         HN     96 ALA  QB      7.20  #     5M    1754.0  e   feb13   3540
         HA1     7 LYS+ HN      5.30 >#     2     1157.0  e   feb13   1853
         HA1     8 LYS+ HN      5.30  #     3      667.0  e   feb13   3541
         HA1     9 ILE  HN      3.60  #     3     6736.0  e   feb13   2501
         HA1     9 ILE  QG2     6.70  #     5M    2436.0  e   feb13   2505
         HA1     9 ILE  QG1     7.50  # m w 5      480.5*2e   feb13   2503
         HA1     9 ILE  QD1     5.00  #     5M   10220.0  e   feb13   2507
         HA1    93 ASP- QB      7.20  # m   5      856.0*2e   feb13   2517
         HA2     7 LYS+ HN      4.20 <#     2     4202.0  e   feb13   1852
         HA2     7 LYS+ HA      4.90  #     2     1782.0  e   feb13   2497
         HA2     8 LYS+ HN      5.60  #     3      519.0  e   feb13   3225
         HA2     9 ILE  HB      4.30  #     3     2634.0  e   feb13   2512
         HA2     9 ILE  QD1     5.90  #     5M    4648.0  e   feb13   2511
         HA2    10 PHE  HN      5.00  #     3      964.0  e   feb13   2516
         HA2    97 TYR  HB2     6.20  #     5      863.0  e   feb13   1968
  7 LYS+ 
         HN      7 LYS+ HA      3.60  #     2    11630.0  e   feb13   1846
         HN      7 LYS+ QB      4.60  # i   2     5925.0*2e   feb13   1847
         HN      7 LYS+ QG      6.20  # m   1     3139.0*2e   feb13   2479
         HN      7 LYS+ QD      7.50  # m w 1      644.5*2e   feb13   3655
         HN      8 LYS+ HN      3.80  #     2     8905.0  e   feb13   3226
         HN     97 TYR  HA      5.40  #     4      355.0  e   feb13   3542
         HN     97 TYR  HB2     5.40 <#     5     1720.0  e   feb13   3228
         HN     97 TYR  HB3     6.50 >#   w 5      424.0  e   feb13   3544
         HN     97 TYR  HD1     6.50 >#   w 5      524.0  e   feb13   4210
         HN     97 TYR  HD2     5.60 <#     5     1454.0  e   feb13   4211
         HA      8 LYS+ HN      4.20  #     2     4410.0  e   feb13   1848
         HA     97 TYR  HB2     4.50  #     5     4325.0  e   feb13   3545
         HA     97 TYR  HD2     4.20  #     5     5739.0  e   feb13   3230
         QB      8 LYS+ HN      5.30  # m   2     3757.0*2e   feb13   1849
         QG      8 LYS+ HN      5.70  # m   5     3351.0*2e   feb13   4102
         QG     97 TYR  HE1     7.00  # m   5      968.5*2e   feb13   4158
         QD      8 LYS+ HN      7.50  # m w 5      612.0*2e   feb13   3231
         QD     97 TYR  HD1     7.50 <# m w 5      342.0*2e   feb13   4242
         QD     97 TYR  HD2     7.50 ># m w 5       97.5*2e   feb13   4347
         QD     97 TYR  HE1     6.30 <# m   5     1888.5*2e   feb13   4160
         QD     97 TYR  HE2     7.50 ># m   5      648.0*2e   feb13   4344
  8 LYS+ 
         HN      8 LYS+ HA      3.20  #     2    22140.0  e   feb13   1187
         HN      8 LYS+ HB2     2.90 <#     2    43870.0  e   feb13   1188
         HN      8 LYS+ HB3     3.70 >#     2     9420.0  e   feb13   1189
         HN      8 LYS+ QG      5.30  # m   1     9110.0*2e   feb13   1190
         HN      8 LYS+ QD      5.80  # m   1     4958.5*2e   feb13   1191
         HN      8 LYS+ QE      7.30  # m   1      926.0*2e   feb13   1207
         HN      9 ILE  HN      3.40  #     2    15850.0  e   feb13   3702
         HN      9 ILE  HA      5.80  #     2      622.0  e   feb13   4238
         HN      9 ILE  QG1     7.10  # m   5      890.0*2e   feb13   3232
         HN      9 ILE  QD1     7.50  #   w 5M     104.0  e   feb13   3233
         HN     11 VAL  QG1     6.70  #     5M    2474.0  e   feb13   3933
         HA      8 LYS+ HB2     2.60 <#     2    80140.0  e   feb13   1193
         HA      8 LYS+ HB3     3.20 >#     2    21700.0  e   feb13   1192
         HA      8 LYS+ QG      4.90  # i   1     9450.0*2e   feb13   1205
         HA      8 LYS+ QD      5.60  # m   1     6295.0*2e   feb13   1202
         HA      8 LYS+ QE      6.30  # m   1     2744.5*2e   feb13   1819
         HA      9 ILE  HN      3.90  #     2     7128.0  e   feb13   2487
         HA     10 PHE  HN      4.60  #     3     1582.0  e   feb13   3929
         HB2     8 LYS+ QD      4.50  # m   1    31855.0*2e   feb13   1201
         HB2     8 LYS+ QE      5.30  # m   1     8985.0*2e   feb13   1211
         HB2     9 ILE  HN      3.60  #     2    11160.0  e   feb13   2783
         HB2    12 GLN  HN      6.50  #   w 3      151.0  e   feb13   4230
         QD      8 LYS+ QE      6.90  # mm  1     4085.0*4e   feb13   1210
         QE     12 GLN  HE22    7.50  # m w 5      418.5*2e   feb13   4328
         QE     97 TYR  HE2     7.50  # m w 5      400.5*2e   feb13   3703
  9 ILE  
         HN      9 ILE  HA      3.50  #     2    12740.0  e   feb13   1172
         HN      9 ILE  HB      2.90  #     2    45620.0  e   feb13   1161
         HN      9 ILE  QG2     5.20  #     1M   10400.0  e   feb13   1164
         HN      9 ILE  QG1     5.50  # m   1     6750.0*2e   feb13   1162
         HN      9 ILE  QD1     5.30  #     1M    9939.0  e   feb13   1163
         HN     10 PHE  HN      3.10  #     2    25920.0  e   feb13   2942
         HN     10 PHE  HA      5.10  #     2     1418.0  e   feb13   3527
         HN     11 VAL  HN      3.80  #     3     4915.0  e   feb13   2793
         HN     12 GLN  HG3     6.50  #   w 5      180.0  e   feb13   4232
         HN     13 LYS+ HN      5.40  #     3      657.0  e   feb13   4267
         HA      9 ILE  HB      3.30  #     2    20730.0  e   feb13   1168
         HA      9 ILE  QG2     4.20  #     1M   39430.0  e   feb13   1165
         HA      9 ILE  QG1     4.80  # i   1    11420.0*2e   feb13   1167
         HA      9 ILE  QD1     5.20  #     1M   10090.0  e   feb13   1166
         HA     10 PHE  HN      4.10  #     2     5532.0  e   feb13   2871
         HA     12 GLN  HN      3.80  #     3     4859.0  e   feb13   4239
         HA     13 LYS+ HN      5.00  #     3      949.0  e   feb13   4270
         HB      9 ILE  QG2     4.10  #     1M   42930.0  e   feb13   1178
         HB      9 ILE  QG1     4.40  # m   1    36635.0*2e   feb13   1169
         HB      9 ILE  QD1     3.80  #     1M   75250.0  e   feb13   1170
         HB     10 PHE  HN      4.00  #     2     5780.0  e   feb13   4104
         QG2     9 ILE  QG1     5.80  # m   1M   17335.0*2e   feb13   1179
         QG2     9 ILE  QD1     4.90  # m   1M   61740.0  e   feb13   1315
         QG2    10 PHE  HN      5.50  #     5M    6380.0  e   feb13   3499
         QG2    10 PHE  HA      6.00  #     5M    4117.0  e   feb13   3382
         QG2    10 PHE  HD1     7.50  #   w 5M     906.0  e   feb13   3184
         QG2    12 GLN  HN      7.50  #   w 5M     931.0  e   feb13   4039
         QG2    13 LYS+ QE      8.50  # m w 5M     549.0*2e   feb13   3406
         QG2    94 LEU  HN      7.00  #     5M    1957.0  e   feb13   3410
         QG2    94 LEU  HA      7.20  #     5M    1723.0  e   feb13   4106
         QG2    94 LEU  HB3     4.20  #     5M   26740.0  e   feb13   4108
         QG2    94 LEU  QD2     5.30  # m   5M   23550.0  e   feb13   3408
         QG1     9 ILE  QD1     5.40  # m   1M   27255.0*2e   feb13   1181
         QG1    10 PHE  HN      7.50  # m w 5      474.0*2e   feb13   3234
         QD1    10 PHE  HN      6.30  #     5M    3479.0  e   feb13   3237
         QD1    18 HEM  QT2     7.50  #   w 5M     809.0  e   feb13   3706
         QD1    90 GLU- HA      4.70  #     5M   14400.0  e   feb13   4162
         QD1    93 ASP- QB      6.80  # m   5M    5145.0*2e   feb13   3707
         QD1    94 LEU  HN      6.00  #     5M    4369.0  e   feb13   3547
         QD1    94 LEU  HA      5.80  #     5M    4986.0  e   feb13   3239
 10 PHE  
         HN     10 PHE  HA      3.20  #     2    21730.0  e   feb13   1642
         HN     10 PHE  HB2     3.10  #     2    30320.0  e   feb13    217
         HN     10 PHE  HB3     3.10  #     2    27940.0  e   feb13    218
         HN     11 VAL  HN      3.50  #     2    14300.0  e   feb13   1639
         HN     11 VAL  HA      6.40  #     2      358.0  e   feb13    867
         HN     11 VAL  QG1     7.50  #     5M    1375.0  e   feb13   1542
         HN     18 HEM  QT2     7.50  #   w 5M     472.0  e   feb13   3072
         HN     94 LEU  QD1     4.50  #     5M   19340.0  e   feb13   2666
         HN     97 TYR  HB2     5.50  #     5     1486.0  e   feb13   3548
         HN     97 TYR  HD1     4.80 <#     5     3074.0  e   feb13   2972
         HN     97 TYR  HD2     6.50 >#   w 5      611.0  e   feb13   2796
         HN     97 TYR  HE1     4.50  #     5     4103.0  e   feb13   2093
         HA     10 PHE  HB2     3.20  #     2    25370.0  e   feb13   1641
         HA     10 PHE  HB3     3.10  #     2    28480.0  e   feb13   2857
         HA     10 PHE  HD1     5.10 >#     1     3197.0  e   feb13   2027
         HA     10 PHE  HD2     4.10 <#     1    13280.0  e   feb13   2858
         HA     11 VAL  HN      4.40  #     2     3447.0  e   feb13   2868
         HA     11 VAL  HA      4.70  #     2     2166.0  e   feb13   2863
         HA     13 LYS+ HN      4.30  #     3     2331.0  e   feb13   3692
         HA     14 CYSS HN      4.30  #     3     2501.0  e   feb13   2723
         HA     18 HEM  QT2     6.70  #     5M    2540.0  e   feb13   3241
         HA     94 LEU  QD1     4.60 <#     5M   15960.0  e   feb13   1538
         HA     94 LEU  QD2     6.70 >#     5M    2375.0  e   feb13   1735
         HA     97 TYR  HD1     5.60  #     5     1397.0  e   feb13   2860
         HA     97 TYR  HE1     6.50  #     5      644.0  e   feb13   2791
         HB2    10 PHE  HD1     4.30  #     1     9861.0  e   feb13    866
         HB2    10 PHE  HD2     3.90  #     1    17740.0  e   feb13   2514
         HB2    11 VAL  HN      4.10 <#     2     5134.0  e   feb13    865
         HB2    94 LEU  QD1     5.00  #     5M   11000.0  e   feb13   3243
         HB2    97 TYR  HD1     4.60  #     5     3791.0  e   feb13   2244
         HB2    97 TYR  HE1     4.20  #     5     5831.0  e   feb13   2795
         HB2    98 LEU  QD1     7.50  #   w 5M     653.0  e   feb13   4111
         HB3    10 PHE  HD1     4.00  #     1    15650.0  e   feb13   1631
         HB3    10 PHE  HD2     3.80  #     1    19070.0  e   feb13   2515
         HB3    11 VAL  HN      5.20 >#     2     1209.0  e   feb13   1627
         HB3    94 LEU  QD1     5.40  #     5M    7406.0  e   feb13   3710
         HB3    94 LEU  QD2     7.50  #   w 5M    1104.0  e   feb13   4348
         HB3    97 TYR  HD1     4.20  #     5     5652.0  e   feb13   2247
         HB3    97 TYR  HE1     4.40  #     5     4860.0  e   feb13   2861
         HD1    10 PHE  HE1     3.60  #     1    27500.0  e   feb13    204
         HD1    10 PHE  HE2     4.00  #     1    15890.0  e   feb13   1646
         HD1    10 PHE  HZ      4.80  #     1     4821.0  e   feb13    135
         HD1    11 VAL  HN      4.70  #     5     3554.0  e   feb13   1629
         HD1    11 VAL  HB      4.70  #     5     3540.0  e   feb13   3178
         HD1    11 VAL  QG1     7.50  #   w 5M     915.0  e   feb13   4349
         HD1    11 VAL  QG2     7.50  #   w 5M     436.0  e   feb13   3179
         HD1    18 HEM  HB3     6.50  #   w 5      524.0  e   noeWut3 3874
         HD1    20 VAL  QG1     7.50  #   w 5M     509.0  e   feb13   4350
         HD1    97 TYR  HD1     5.20  #     5     2108.0  e   feb13   3244
         HD1    97 TYR  HE1     4.90  #     5     2891.0  e   feb13   3549
         HD1    98 LEU  QD2     5.30  #     5M    7782.0  e   feb13   3551
         HD2    10 PHE  HE1     3.40  #     1    38240.0  e   feb13    208
         HD2    10 PHE  HE2     3.80  #     1    19540.0  e   feb13   1644
         HD2    10 PHE  HZ      4.40  #     1     8845.0  e   feb13    213
         HD2    11 VAL  HN      5.40  #     5     1728.0  e   feb13   2945
         HD2    11 VAL  HA      4.70  #     5     3257.0  e   feb13   1634
         HD2    11 VAL  QG1     5.90  #     5M    4600.0  e   feb13    131
         HD2    11 VAL  QG2     7.50  #   w 5M    1228.0  e   feb13   3047
         HD2    15 ALA  HA      6.20  #     5      833.0  e   feb13   3399
         HD2    18 HEM  QT2     7.50  #   w 5M     243.0  e   feb13   3074
         HD2    20 VAL  QG1     7.50  #   w 5M     359.0  e   feb13   3048
         HD2    94 LEU  QD1     4.60  #     5M   17200.0  e   feb13   2959
         HD2    94 LEU  QD2     6.70  #     5M    2497.0  e   feb13   2962
         HD2    97 TYR  HD1     6.50  #   w 5      619.0  e   feb13   2971
         HD2    97 TYR  HE1     4.90  #     5     2648.0  e   feb13   1017
         HD2    98 LEU  QD1     7.30  #     5M    1605.0  e   feb13   2955
         HD2    98 LEU  QD2     5.00  #     5M   11110.0  e   feb13   2957
         HE1    10 PHE  HZ      3.30  #     1    44420.0  e   feb13    211
         HE1    11 VAL  QG1     7.50  #   w 5M    1340.0  e   feb13   4352
         HE1    11 VAL  QG2     7.50  #   w 5M     681.0  e   feb13   3488
         HE1    15 ALA  HA      4.30 <#     5     5204.0  e   feb13   3422
         HE1    15 ALA  QB      5.10  #     5M    9499.0  e   feb13   3246
         HE1    18 HEM  HN      6.50  #   w 5      590.0  e   feb13   3824
         HE1    18 HEM  HB2     6.30  #     5      745.0  e   feb13   3249
         HE1    18 HEM  HB3     4.80  #     5     3097.0  e   noeWut3 3872
         HE1    19 THR  HA      5.50  #     5     1534.0  e   feb13   3475
         HE1    20 VAL  QG1     5.50  #     5M    6453.0  e   feb13   3866
         HE1    98 LEU  QD1     7.50  #   w 5M     349.0  e   feb13   3935
         HE1    98 LEU  QD2     5.80  #     5M    4886.0  e   feb13   4112
         HE1   101 ALA  QB      7.50  #   w 5M     554.0  e   feb13   3915
         HE2    10 PHE  HZ      3.50  #     1    32320.0  e   feb13    201
         HE2    15 ALA  HA      5.20 >#     5     1954.0  e   feb13   3398
         HE2    15 ALA  QB      5.80  #     5M    5049.0  e   feb13   4114
         HE2    18 HEM  HB2     5.60  #     5     1391.0  e   feb13   4116
         HE2    18 HEM  HB3     4.60  #     5     3804.5  e   noeWut3 3873
         HE2    20 VAL  QG1     6.20  #     5M    3653.0  e   feb13   3711
         HE2    32 LEU  QD2     7.50  #   w 5M     880.0  e   feb13   3514
         HE2    97 TYR  HE1     5.80  #     5     1212.0  e   feb13   2975
         HE2    98 LEU  QD1     7.50  #   w 5M    1254.0  e   feb13   3252
         HE2    98 LEU  QD2     5.20  #     5M    8714.0  e   feb13   3250
         HZ     15 ALA  HA      4.30  #     5     5630.0  e   feb13   1423
         HZ     15 ALA  QB      6.00  #     5M    4429.0  e   feb13   3667
         HZ     18 HEM  HN      5.60  #     5     1442.0  e   feb13   2615
         HZ     18 HEM  HB2     3.90  #     5     8292.0  e   feb13   3387
         HZ     18 HEM  HB3     3.30  #     5    20080.0  e   noeWut3 3870
         HZ     19 THR  HN      5.30  #     5     1781.0  e   feb13   2617
         HZ     19 THR  HA      4.10  #     5     6615.0  e   feb13   2293
         HZ     19 THR  HB      6.50  #   w 5      469.0  e   feb13   3474
         HZ     20 VAL  QG1     4.60  #     5M   15720.0  e   feb13   4164
         HZ     32 LEU  QD1     6.20  #     5M    3645.0  e   feb13   3884
 11 VAL  
         HN     11 VAL  HA      3.30  #     2    18110.0  e   feb13    850
         HN     11 VAL  HB      3.30  #     2    20180.0  e   feb13    233
         HN     11 VAL  QG1     4.30  #     1M   34620.0  e   feb13    854
         HN     11 VAL  QG2     4.60  #     1M   21240.0  e   feb13    231
         HN     12 GLN  HN      3.80  #     2     8762.0  e   feb13   2736
         HN     13 LYS+ HN      5.20  #     3      790.0  e   feb13   4268
         HN     97 TYR  HD1     5.60  #     5     1381.0  e   feb13   2944
         HN     97 TYR  HE1     6.00  #     5      971.0  e   feb13   2092
         HA     11 VAL  HB      2.90  #     2    42730.0  e   feb13    858
         HA     11 VAL  QG1     3.70  #     1M   83000.0  e   feb13    852
         HA     11 VAL  QG2     4.00  #     1M   50040.0  e   feb13    851
         HA     12 GLN  HN      3.90  #     2     7481.0  e   feb13    883
         HA     12 GLN  HB2     5.30  #     2     1072.0  e   feb13    886
         HB     11 VAL  QG1     3.40  #     1M  153000.0  e   feb13    859
         HB     11 VAL  QG2     3.50  #     1M  121700.0  e   feb13    863
         HB     12 GLN  HN      3.50  #     2    12670.0  e   feb13   3552
         QG1    12 GLN  HN      5.40  #     5M    7171.0  e   feb13   4118
         QG1    97 TYR  HE1     7.20  #     5M    1657.0  e   feb13   2970
         QG2    12 GLN  HN      5.10  #     5M    9513.0  e   feb13   3254
         QG2    12 GLN  HA      4.80  #     5M   13220.0  e   feb13   4119
         QG2    15 ALA  HA      6.40  #     5M    3177.0  e   feb13   3999
         QG2    97 TYR  HE1     7.30  #     5M    1614.0  e   feb13   3713
 12 GLN  
         HN     12 GLN  HA      3.40  #     2    17000.0  e   feb13    882
         HN     12 GLN  HB2     3.40 <#     2    15900.0  e   feb13    885
         HN     12 GLN  HB3     4.70 >#     2     2278.0  e   feb13   2763
         HN     12 GLN  HG2     4.20  #     1    11250.0  e   feb13   2762
         HN     12 GLN  HG3     4.50  #     1     7138.0  e   feb13    884
         HN     13 LYS+ HN      3.40  #     2    15950.0  e   feb13   2284
         HN     13 LYS+ HA      6.50  #   w 2      224.0  e   feb13   4278
         HN     14 CYSS HN      4.60  #     3     1722.0  e   feb13   3714
         HA     12 GLN  HB2     3.30  #     2    21090.0  e   feb13    889
         HA     12 GLN  HB3     3.30  #     2    19680.0  e   feb13   2764
         HA     12 GLN  HG2     4.20  #     1    10550.0  e   feb13   2772
         HA     12 GLN  HG3     4.20  #     1    10970.0  e   feb13   1478
         HA     13 LYS+ HN      4.30  #     2     3701.0  e   feb13   1480
         HB2    12 GLN  HG3     2.70  #     1   152600.0  e   feb13    887
         HB2    13 LYS+ HN      3.60  #     2    10610.0  e   feb13    890
         HB2    13 LYS+ QG      5.30  # m   5     5630.0*2e   feb13    893
         HB3    13 LYS+ HN      3.90  #     2     7359.0  e   feb13   2778
         HG2    12 GLN  HE22    4.70  #     1     5579.0  e   feb13   3672
         HG2    13 LYS+ HN      6.50  #   w 5      422.0  e   feb13   2773
         HG3    12 GLN  HE22    4.80  #     1     4721.0  e   feb13   3671
         HG3    13 LYS+ HN      6.10  #     5      935.0  e   feb13   2775
 13 LYS+ 
         HN     13 LYS+ HA      3.80  #     2     7797.0  e   feb13    873
         HN     13 LYS+ QB      4.30  # i   2     9660.0*2e   feb13    874
         HN     13 LYS+ QG      6.00  # m   1     4037.0*2e   feb13    872
         HN     13 LYS+ QE      7.50  # m w 1      100.5*2e   feb13   1386
         HN     14 CYSS HN      3.30  #     2    18060.0  e   feb13   3156
         HN     15 ALA  HA      6.50  #   w 3      184.0  e   feb13   3693
         HN     18 HEM  HT2A    6.50  #   w 5      446.0  e   feb13   4266
         HN     18 HEM  QT2     7.50  #   w 5M    1025.0  e   feb13   3070
         HA     13 LYS+ QB      5.00  # m   2     5900.0*2e   feb13    371
         HA     13 LYS+ QG      5.30  # i   1     5575.0*2e   feb13    370
         HA     13 LYS+ QE      7.50  # m w 1      194.5*2e   feb13   1388
         QB     13 LYS+ QG      5.80  # mm  1    21222.5*4e   feb13    374
         QB     14 CYSS HN      6.00  # m   2     1581.5*2e   feb13   2491
         QB     18 HEM  HT2A    7.10  # m   5      886.5*2e   feb13    431
         QB     18 HEM  QT2     6.10  # m   5M    9305.0*2e   feb13   3018
         QB     82 PHE  CZ      8.00  # mr  5     2366.0*4e   feb13   4165
         QB     82 PHE  HZ      5.60  # m   5     3807.5*2e   feb13   3426
         QG     14 CYSS HN      7.50  # m w 5       17.0*2e   feb13   3553
         QG     18 HEM  QT2     6.30  # m   5M    8250.0*2e   feb13   3016
         QG     82 PHE  CZ      7.90  # mr  5     2692.5*4e   feb13   4166
         QE     18 HEM  QT2     8.50  # m w 5M      84.0*2e   feb13   3027
         QE     82 PHE  HZ      6.80  # m   5     1192.0*2e   feb13   3024
         QE     85 ILE  QD1     7.50  # m   5M    2751.5*2e   feb13   3257
         QE     94 LEU  HB3     7.50  # m w 5      278.0*2e   feb13   4297
 14 CYSS 
         HN     14 CYSS HA      5.40  #     2     1011.0  e   feb13   1231
         HN     15 ALA  HA      4.80  #     2     1923.0  e   feb13   2490
         HN     16 GLN  HN      4.80  #     3     1268.0  e   feb13   2489
         HN     18 HEM  HT2A    6.50  #   w 5      484.0  e   feb13   4218
         HN     18 HEM  QT2     7.50  #   w 5M     708.0  e   feb13   3073
         HA     15 ALA  HA      5.00  #     2     1503.0  e   feb13   2492
 15 ALA  
         HN     15 ALA  HA      3.30  #     2    20310.0  e   feb13    895
         HN     15 ALA  QB      3.30  #   s 2M   39820.0  e   feb13    896
         HN     16 GLN  HN      3.90  #     2     6743.0  e   feb13     68
         HN     17 CYSS HN      5.00  #     3     1033.0  e   feb13   1400
         HN     18 HEM  HN      5.40  #     3      612.0  e   feb13   1412
         HA     15 ALA  QB      3.30  #   s 2M   98960.0  e   feb13    898
         HA     16 GLN  HN      4.30  #     2     3974.0  e   feb13   1390
         HA     16 GLN  HE21    6.50  #   w 5      274.0  e   feb13   4310
         HA     18 HEM  HN      3.00  #     3    22480.0  e   feb13   1416
         HA     18 HEM  HB2     4.00 <#     3     3585.0  e   feb13   3259
         HA     18 HEM  HB3     4.70 >#     3     1372.5  e   noeWut3 3899
         QB     16 GLN  HN      3.40  #     2M   12840.0  e   feb13    897
         QB     17 CYSS HN      5.40  #     3M    2330.0  e   feb13   1395
         QB     18 HEM  HN      4.70  #     3M    5297.0  e   feb13   4041
 16 GLN  
         HN     16 GLN  HB2     3.30  #     2    17930.0  e   feb13     64
         HN     16 GLN  HB3     3.40  #     2    16630.0  e   feb13     65
         HN     16 GLN  HG2     4.80  #     1     4879.0  e   feb13   1391
         HN     16 GLN  HG3     4.40  #     1     8614.0  e   feb13   1402
         HN     16 GLN  HE21    6.50 <#   w 1      385.0  e   feb13   4324
         HN     16 GLN  HE22    6.50 >#   w 1       85.0  e   feb13   4314
         HN     17 CYSS HN      3.40  #     2    16080.0  e   feb13     62
         HN     18 HEM  HN      4.60  #     3     1598.0  e   feb13   1413
         HB2    16 GLN  HG2     3.90  #     1    18370.0  e   feb13    907
         HB2    16 GLN  HE21    6.50  #   w 1      321.0  e   feb13   3997
         HB2    17 CYSS HN      4.20  #     2     4373.0  e   feb13   1398
         HB2    18 HEM  HN      6.20  #     3      281.0  e   feb13   1418
         HB3    16 GLN  HG2     4.50  #     1     6822.0  e   feb13    909
         HB3    16 GLN  HG3     4.00  #     1    15620.0  e   feb13   1407
         HB3    16 GLN  HE21    6.50  #   w 1      178.0  e   feb13   4308
         HB3    16 GLN  HE22    6.50  #   w 1      200.0  e   feb13   4313
         HB3    17 CYSS HN      4.00  #     2     6383.0  e   feb13   1399
         HB3    17 CYSS HA      5.30  #     2     1128.0  e   feb13   3699
         HB3    18 HEM  HN      5.40  #     3      621.0  e   feb13   1419
         HG2    16 GLN  HE21    5.10  #     1     3315.0  e   feb13   4273
         HG2    17 CYSS HN      5.00  #     5     2587.0  e   feb13   1392
         HG3    16 GLN  HE21    4.90  #     1     4368.0  e   feb13   4307
         HG3    16 GLN  HE22    6.20  #     1     1016.0  e   feb13   4312
         HG3    17 CYSS HN      4.90  #     5     2861.0  e   feb13   1405
         HG3    18 HEM  HN      6.50  #   w 5      350.0  e   feb13   3825
         HE21   18 HEM  HN      6.50  #   w 5      110.0  e   feb13   4311
 17 CYSS 
         HN     17 CYSS HA      3.40  #     2    15350.0  e   feb13     58
         HN     17 CYSS HB3     5.00  #     2     1568.0  e   feb13   3903
         HN     18 HEM  HN      3.20  #     2    22180.0  e   feb13    943
         HA     18 HEM  HN      3.40  #     2    15090.0  e   feb13     55
         HA     18 HEM  HA      6.20  #     2      426.0  e   feb13   1885
         HA     28 THR  HN      6.30  #     4      144.0  e   feb13   3715
         HA     28 THR  HB      3.50  #     5    15460.0  e   feb13   3139
         HA     28 THR  QG2     5.90  #     5M    4515.0  e   feb13   2933
         HA     29 GLY  HN      3.70  #     4     3660.0  e   feb13   3518
         HA     29 GLY  HA1     5.50  #     4      323.0  e   feb13   3938
         HB3    18 HEM  HBM     3.60  #     5    12680.0  e   feb13   3902
         HB3    18 HEM  QM5     5.50  #     5M    6482.0  e   feb13   2808
         HB3    27 LYS+ HN      5.70  #     5     1258.0  e   feb13   3904
         HB3    28 THR  QG2     4.50  #     5M   17950.0  e   feb13   3901
 18 HEM  
         HN     18 HEM  HA      3.80  #     2     7844.0  e   feb13     52
         HN     18 HEM  HB2     4.00  #     2     5701.0  e   feb13     53
         HN     18 HEM  HB3     4.20  #     2     4394.0  e   noeWut3  616
         HN     19 THR  HN      4.60  #     2     2628.0  e   feb13   2619
         HN     19 THR  HA      6.40  #     2      361.0  e   feb13   3092
         HN     28 THR  HB      6.50  #   w 5      394.0  e   feb13   3826
         HN     29 GLY  HN      6.40  #     4      137.0  e   feb13   3813
         HA     18 HEM  HB3     3.00  #     2    35380.0  e   noeWut3 3862
         HA     19 THR  HN      3.00  #     2    36430.0  e   feb13   3031
         HA     19 THR  HA      4.80  #     2     2082.0  e   feb13   1424
         HA     19 THR  HB      5.80  #     2      604.0  e   feb13   1421
         HA     19 THR  QG2     7.50  #   w 5M     727.5  e   noeWut3  239
         HA     31 ASN  HN      6.10  #     4      170.0  e   feb13   3830
         HA     31 ASN  HA      4.70  #     4      859.0  e   feb13   1422
         HB3    19 THR  HN      3.90  #     2     7015.0  e   noeWut3 3869
         HB3    19 THR  HA      5.10  #     2     1372.0  e   noeWut3 3898
         HB3    19 THR  HB      6.50  #   w 5      443.0  e   noeWut3 3957
         HB3    32 LEU  HN      6.50  #   w 5      436.5  e   noeWut3  475
         HB3    32 LEU  HA      6.30  #     5      775.5  e   noeWut3  620
         HB3    32 LEU  QD1     5.00  #     5M   10450.0  e   noeWut3 3878
         HB3    32 LEU  QD2     6.50  #     5M    2965.0  e   noeWut3 3879
         HD1    19 THR  HN      5.50  #     5     1514.0  e   feb13   3260
         HD1    31 ASN  HA      6.20  #     5      871.0  e   feb13   3261
         HD1    32 LEU  QD2     7.50  #   w 5M     274.0  e   feb13   4121
         HAP71  18 HEM  HAP72   3.10  #     1    71750.0  e   noeWut3  553
         HAP71  18 HEM  HBP73   4.70  #     1     5808.0  e   feb13    400
         HAP71  18 HEM  HBP74   4.00  #     1    15695.0  e   noeWut3  562
         HAP71  18 HEM  QM8     6.30  #     1M    3220.0  e   noeWut3 3982
         HAP71  18 HEM  HGM     4.30  #     1     9430.0  e   noeWut3   63
         HAP71  18 HEM  HAP61   6.20  #     1      999.5  e   noeWut3 3917
         HAP71  18 HEM  HAP62   5.00  #     1     3879.0  e   noeWut3 3999
         HAP71  18 HEM  HBP64   6.10  #     1     1140.5  e   noeWut3 3970
         HAP71  32 LEU  QD1     7.50  #   w 5M     949.0  e   noeWut3 3968
         HAP71  35 LEU  QD1     7.50  #   w 5M     961.0  e   noeWut3 3976
         HAP71  40 THR  HA      6.50  #   w 5      616.5  e   noeWut3 3973
         HAP71  40 THR  HB      6.50  #   w 5      134.0  e   feb13   4065
         HAP71  40 THR  QG2     7.50  #   w 5M     732.0  e   feb13   4064
         HAP71  41 GLY  HN      6.50  #   w 5      109.0  e   feb13   3108
         HAP71  59 TRP  HD1     5.60  #     5     1398.0  e   noeWut3 3981
         HAP71  59 TRP  HE1     4.90  #     5     2846.0  e   feb13   3110
         HAP71  59 TRP  HZ2     3.90  #     5     8298.0  e   feb13   3099
         HAP71  59 TRP  HH2     6.00  #     5      994.0  e   feb13   3107
         HAP72  18 HEM  HBP73   3.90  #     1    16950.0  e   noeWut3 3889
         HAP72  18 HEM  HBP74   3.80  #     1    18795.0  e   noeWut3  558
         HAP72  18 HEM  QM8     5.70  #     1M    5830.0  e   noeWut3  566
         HAP72  18 HEM  HGM     3.60  #     1    26445.0  e   noeWut3 3886
         HAP72  18 HEM  HAP61   6.50  #   w 1      212.0  e   noeWut3 4013
         HAP72  32 LEU  QD1     7.10  #     5M    1897.5  e   noeWut3 3935
         HAP72  32 LEU  QD2     6.80  #     5M    2212.5  e   noeWut3 3942
         HAP72  35 LEU  QD1     6.40 <#     5M    3026.5  e   noeWut3 3890
         HAP72  35 LEU  QD2     7.50 >#   w 5M     621.5  e   noeWut3 3949
         HAP72  40 THR  HA      4.60  #     5     3803.5  e   noeWut3 3948
         HAP72  40 THR  QG2     6.40  #     5M    3071.0  e   noeWut3 3940
         HAP72  59 TRP  HD1     5.00  #     5     2381.0  e   noeWut3 3887
         HAP72  59 TRP  HE1     3.50  #     5    14855.0  e   noeWut3 3939
         HAP72  59 TRP  HH2     4.60  #     5     3588.5  e   noeWut3 3888
         HAP72  64 LEU  QD1     7.00  #     5M    2023.5  e   noeWut3 3950
         HBP73  18 HEM  QM8     5.90  #     1M    5075.0  e   noeWut3 3929
         HBP73  59 TRP  HE1     6.00  #     5      987.0  e   feb13   4122
         HBP74  18 HEM  QM8     7.30  #     1M    1316.0  e   noeWut3 3932
         HBP74  18 HEM  HAP61   6.50  #   w 1       65.0  e   feb13   3961
         HBP74  35 LEU  QD1     7.00  #     5M    2019.0  e   feb13   4123
         HBP74  59 TRP  HE1     4.80  #     5     3066.0  e   noeWut3 3918
         QM8    18 HEM  QM1     7.10  #     1M    1579.0  e   noeWut3 3926
         QM8    35 LEU  QD1     5.90  #     5M    4757.0  e   noeWut3 3930
         QM8    35 LEU  QD2     6.00  #     5M    4107.0  e   noeWut3 3931
         QM8    59 TRP  HE1     7.50  #   w 5M     851.5  e   noeWut3 3924
         QM8    59 TRP  HZ2     7.50  #   w 5M     970.0  e   noeWut3 3925
         QM8    64 LEU  QD1     6.20  #     5M    3627.0  e   noeWut3 3933
         QM8    67 TYR  HB3     6.30  #     5M    3350.0  e   noeWut3 3927
         QM1    18 HEM  HT2A    6.90  #     1M    1850.0  e   feb13   3080
         QM1    18 HEM  QT2     4.10  #     1M   45530.0  e   feb13    410
         QM1    64 LEU  QD1     6.00  #     5M    4211.0  e   feb13   3094
         QM1    68 LEU  QD1     5.00 >#     5M   10820.0  e   feb13   1376
         QM1    68 LEU  QD2     3.80 <#     5M   41710.0  e   feb13    442
         QM1    82 PHE  CZ      9.50  # r w 5M     585.0*2e   feb13   3172
         QM1    85 ILE  QD1     5.60  #     5M    5833.0  e   feb13   3206
         QM1    94 LEU  QD1     4.10  #     5M   30400.0  e   feb13   3266
         QM1    94 LEU  QD2     3.90  #     5M   36850.0  e   feb13   3085
         QM1    98 LEU  QD1     4.00 <#     5M   33210.0  e   feb13   3082
         QM1    98 LEU  QD2     6.20 >#     5M    3655.0  e   feb13   3554
         HT2A   18 HEM  QT2     4.30  #     1M   35680.0  e   feb13    411
         HT2A   18 HEM  HAM     4.30  #     1    10010.0  e   feb13    470
         HT2A   18 HEM  QM3     6.40  #     1M    2920.0  e   noeWut3  573
         HT2A   68 LEU  QD2     7.50  #   w 5M     196.0  e   feb13    413
         HT2A   82 PHE  CG      8.50  # r w 5      446.5*2e   feb13   3452
         HT2A   82 PHE  CZ      8.00  # r   5      992.5*2e   feb13    454
         HT2A   82 PHE  HZ      5.90  #     5     1055.0  e   feb13   3431
         HT2A   85 ILE  QD1     7.50  #   w 5M     717.0  e   feb13    439
         HT2A   94 LEU  QD2     7.50  #   w 5M     282.0  e   feb13    469
         QT2    18 HEM  HAM     5.90  #     1M    4945.0  e   feb13    417
         QT2    68 LEU  HN      7.50  #   w 5M    1126.0  e   feb13   4197
         QT2    68 LEU  HA      7.50  #   w 5M    1316.0  e   feb13   3061
         QT2    68 LEU  HB3     7.50  #   w 5M     916.0  e   feb13   3059
         QT2    68 LEU  QD1     5.20 >#     5M    9096.0  e   feb13    475
         QT2    68 LEU  QD2     3.70 <#     5M   46710.0  e   feb13   3058
         QT2    82 PHE  CG      8.50  # r   5M    2824.0*2e   feb13   3454
         QT2    82 PHE  CZ      6.60  # r   5M   16050.0*2e   feb13   3026
         QT2    82 PHE  HZ      5.40  #     5M    7256.0  e   feb13   2063
         QT2    85 ILE  HN      7.50  #   w 5M     639.0  e   feb13   4196
         QT2    85 ILE  HA      7.30  #     5M    1638.0  e   feb13   3062
         QT2    85 ILE  HG12    4.80  #     5M   12990.0  e   feb13   3009
         QT2    85 ILE  HG13    4.70  #     5M   14040.0  e   feb13   3013
         QT2    85 ILE  QD1     3.60  #     5M   54520.0  e   feb13   3011
         QT2    94 LEU  HN      7.50  #   w 5M     467.0  e   feb13   1014
         QT2    94 LEU  HB3     6.80  #     5M    2242.0  e   feb13    394
         QT2    94 LEU  QD1     5.00 >#     5M   11070.0  e   feb13   3010
         QT2    94 LEU  QD2     3.60 <#     5M   60690.0  e   feb13   3012
         QT2    98 LEU  QD1     6.30  #     5M    3412.0  e   feb13   4250
         HAM    18 HEM  QM3     5.70  #     1M    5770.0  e   noeWut3  579
         QM3    18 HEM  HT4A    7.50  #   w 1M     842.0  e   noeWut3  591
         QM3    18 HEM  QT4     4.90  #     1M   14825.0  e   noeWut3  583
         QM3    82 PHE  CG      9.20  # r   5M    1708.5*2e   noeWut3 3901
         HT4A   18 HEM  QT4     4.50  #     1M   26860.0  e   feb13   3104
         HT4A   18 HEM  HBM     5.20  #     1     2903.0  e   feb13    422
         HT4A   28 THR  QG2     5.40  #     5M    6992.0  e   feb13   3900
         QT4    18 HEM  HBM     6.00  #     1M    4244.0  e   feb13   3103
         QT4    18 HEM  QM5     7.00  #     1M    1801.0  e   feb13   4099
         QT4    28 THR  QG2     4.50  #     5M   18380.0  e   feb13   2934
         QT4    81 ILE  HN      6.60  #     5M    2640.0  e   feb13   4354
         QT4    81 ILE  QG2     6.50  #     5M    2751.0  e   feb13    425
         QT4    81 ILE  HG12    6.30  #     5M    3248.0  e   feb13   3101
         QT4    81 ILE  QD1     7.50  #   w 5M    1097.0  e   feb13   3105
         HBM    18 HEM  QM5     4.60  #     1M   21220.0  e   feb13    429
         HBM    28 THR  HB      5.00  #     5     2384.0  e   feb13   1903
         HBM    28 THR  QG2     5.50  #     5M    6353.0  e   feb13   1907
         HBM    80 MET  HA      6.50  #   w 5      297.0  e   feb13   3555
         QM5    18 HEM  HAP61   4.50  #     1M   24925.0  e   noeWut3  568
         QM5    18 HEM  HAP62   5.00  #     1M   13940.0  e   feb13   1434
         QM5    18 HEM  HBP63   4.90  #     1M   14790.0  e   feb13   2534
         QM5    18 HEM  HBP64   6.60  #     1M    2475.0  e   feb13   3952
         QM5    28 THR  HA      5.60  #     5M    6128.0  e   feb13   1904
         QM5    28 THR  QG2     3.70  #     5M   46150.0  e   feb13   1906
         QM5    29 GLY  HN      7.50  #   w 5M     870.0  e   feb13   3945
         QM5    29 GLY  HA1     4.70 <#     5M   15360.0  e   feb13   2806
         QM5    29 GLY  HA2     6.10 >#     5M    3904.0  e   noeWut3  571
         QM5    30 PRO  HD2     7.40 >#     5M    1438.5  e   noeWut3 3954
         QM5    30 PRO  HD3     6.20 <#     5M    3740.0  e   feb13    408
         QM5    46 PHE  HD2     7.50  #   w 5M     120.0  e   feb13   4071
         QM5    46 PHE  HE1     7.50  #   w 5M     181.0  e   feb13   4073
         QM5    46 PHE  HZ      7.50  #   w 5M     240.0  e   feb13   4072
         QM5    48 TYR  HB3     6.60  #     5M    2693.0  e   feb13   4124
         QM5    49 THR  QG2     6.40  #     5M    3108.0  e   feb13   3267
         QM5    79 LYS+ HN      7.50  #   w 5M     627.0  e   feb13   2809
         QM5    79 LYS+ HG2     5.40  #     5M    7150.0  e   feb13   2622
         QM5    79 LYS+ HG3     4.70  #     5M   15430.0  e   feb13   3876
         QM5    79 LYS+ QE      8.50  # m   5M    1353.0*2e   feb13   1005
         QM5    80 MET  HN      6.90  #     5M    2055.0  e   feb13   2532
         QM5    80 MET  HA      5.40  #     5M    7386.0  e   feb13   2541
         QM5    81 ILE  QD1     7.50  #   w 5M     164.0  e   feb13   4098
         HAP61  18 HEM  HAP62   3.60  #     1    26000.0  e   feb13    398
         HAP61  18 HEM  HBP63   4.60  #     1     6125.0  e   feb13   3954
         HAP61  18 HEM  HBP64   4.90  #     1     4067.0  e   feb13   3955
         HAP61  29 GLY  HA1     4.80  #     5     2975.5  e   noeWut3 3913
         HAP61  30 PRO  HG2     5.80  #     5     1192.0  e   feb13   3270
         HAP61  30 PRO  HD2     5.30  #     5     1791.5  e   noeWut3  597
         HAP61  30 PRO  HD3     5.80  #     5     1151.0  e   feb13    432
         HAP61  46 PHE  HE1     6.50 >#   w 5      150.0  e   feb13   3556
         HAP61  46 PHE  HE2     3.70 <#     5    11800.0  e   noeWut3 3905
         HAP61  46 PHE  HZ      4.10  #     5     7150.0  e   noeWut3 3906
         HAP61  79 LYS+ HN      6.50  #   w 5      322.0  e   feb13   4076
         HAP61  79 LYS+ QE      7.50  # m w 5      248.5*2e   feb13   4089
         HAP62  18 HEM  HBP63   3.50  #     1    34180.0  e   feb13   3957
         HAP62  30 PRO  HD3     4.60  #     5     3960.5  e   noeWut3 4015
         HBP63  18 HEM  HBP64   4.20  #     1    10230.0  e   feb13   3956
         HBP63  78 THR  HG1     6.20  #     5      846.0  e   feb13   4127
         HBP63  79 LYS+ HN      6.50  #     5      656.0  e   feb13   4167
         HBP63  80 MET  HN      5.60  #     5     1460.0  e   feb13   2254
         HBP64  30 PRO  HD3     6.40  #     5      707.0  e   noeWut3 4014
         HBP64  78 THR  HG1     5.80  #     5     1212.0  e   feb13   4128
 19 THR  
         HN     19 THR  HA      3.90  #     2     6561.0  e   feb13    191
         HN     19 THR  HB      4.90  #     2     1682.0  e   feb13   1420
         HN     19 THR  QG2     4.90  #     1M   15700.0  e   feb13    190
         HN     19 THR  HG1     4.40  #     1     8581.0  e   feb13   2610
         HN     20 VAL  HN      5.50  #     2      862.0  e   feb13   3478
         HN     31 ASN  HN      5.20  #     4      468.0  e   feb13    334
         HN     31 ASN  HA      3.10  #     4    10420.0  e   feb13    947
         HN     31 ASN  HB2     6.50 >#   w 5      510.0  e   feb13   2694
         HN     31 ASN  HB3     5.40 <#     5     1694.0  e   feb13   3271
         HN     32 LEU  HN      4.00  #     4     2432.0  e   feb13   3032
         HA     19 THR  HB      3.30  #     2    19270.0  e   feb13    912
         HA     19 THR  QG2     4.20  #     1M   41110.0  e   feb13    914
         HA     19 THR  HG1     5.30  #     1     2817.0  e   feb13   2609
         HA     20 VAL  HN      3.30  #     2    19870.0  e   feb13    197
         HA     20 VAL  QG1     5.30  #     5M    8091.0  e   feb13   1601
         HA     20 VAL  QG2     5.30  #     5M    8136.0  e   feb13   1600
         HA     21 GLU- HN      5.50  #     3      583.0  e   feb13   1884
         HA     31 ASN  HA      4.60  #     4      944.0  e   feb13   3175
         HA     31 ASN  HB2     6.50 >#   w 5      199.0  e   feb13   3273
         HA     31 ASN  HB3     6.50 <#     5      638.0  e   feb13   3274
         HB     19 THR  QG2     4.10  #     1M   47620.0  e   feb13    913
         HB     19 THR  HG1     5.20  #     1     2989.0  e   feb13   2607
         HB     20 VAL  HN      3.60  #     2    11120.0  e   feb13    196
         HB     20 VAL  QG1     7.10  #     5M    1844.0  e   feb13   1603
         HB     20 VAL  QG2     6.70  #     5M    2471.0  e   feb13   1602
         HB     21 GLU- HN      5.10  #     3      861.0  e   feb13   3279
         HB     24 GLY  HN      6.50  #   w 5      146.0  e   feb13   3624
         HB     24 GLY  HA2     6.50  #   w 5      609.0  e   feb13   3472
         HB     31 ASN  HA      6.50  #   w 5      487.0  e   feb13   1895
         HB     31 ASN  HB2     6.50 >#   w 5      265.0  e   feb13   2601
         HB     31 ASN  HB3     5.10 <#     5     2314.0  e   feb13   3277
         HB     32 LEU  HN      6.50  #   w 5      291.0  e   feb13   3278
         QG2    19 THR  HG1     6.40  #     1M    2969.0  e   feb13   2603
         QG2    20 VAL  HN      7.40  #     5M    1463.0  e   feb13   3716
         QG2    22 LYS+ HN      4.90  #     5M   12330.0  e   feb13    189
         HG1    21 GLU- HN      6.50  #   w 5      501.0  e   feb13    945
         HG1    22 LYS+ HA      6.50  #   w 5      271.0  e   feb13   3484
         HG1    24 GLY  HN      6.50  #   w 5      224.0  e   feb13   3622
         HG1    24 GLY  HA2     6.00  #     5      994.0  e   feb13   3477
         HG1    31 ASN  HN      6.10  #     5      900.0  e   feb13   2612
         HG1    31 ASN  HA      4.20  #     5     6267.0  e   feb13   1628
         HG1    31 ASN  HB2     4.20  #     5     6315.0  e   feb13   2602
         HG1    31 ASN  HB3     4.30  #     5     5099.0  e   feb13   2521
 20 VAL  
         HN     20 VAL  HA      5.20  #     2     1278.0  e   feb13    843
         HN     20 VAL  HB      3.60  #     2    11540.0  e   feb13   1428
         HN     20 VAL  QG1     5.40 >#     1M    8387.0  e   feb13    195
         HN     20 VAL  QG2     4.40 <#     1M   28360.0  e   feb13   1425
         HN     21 GLU- HN      4.60  #     2     2571.0  e   feb13   2347
         HN     31 ASN  HB3     6.50  #   w 5      341.0  e   feb13   3155
         HA     20 VAL  HB      3.80  #     2     7996.0  e   feb13    846
         HA     20 VAL  QG1     5.30  #     1M    9160.0  e   feb13    848
         HA     20 VAL  QG2     6.20  #     1M    3819.0  e   feb13   1426
         HB     20 VAL  QG1     4.20  #     1M   38910.0  e   feb13    916
         HB     20 VAL  QG2     4.00  #     1M   55920.0  e   feb13   1898
         HB     97 TYR  HD1     5.70  #     5     1303.0  e   feb13   2981
         HB     97 TYR  HE1     5.20  #     5     2029.0  e   feb13   2982
         HB    101 ALA  QB      6.00  #     5M    4321.0  e   feb13   4356
         QG1    21 GLU- HN      7.50  #   w 5M     884.0  e   feb13   3717
         QG1    97 TYR  HE1     5.40  #     5M    7148.0  e   feb13   2967
         QG1    98 LEU  QD2     6.60  # m   5M    6258.0  e   feb13   4357
         QG2    21 GLU- HN      7.10  #     5M    1880.0  e   feb13   2980
         QG2    33 HIS  QB      8.50  # m w 5M    1252.5*2e   feb13   3719
         QG2    97 TYR  HE1     6.60  #     5M    2680.0  e   feb13   3121
         QG2   101 ALA  HA      6.10  #     5M    3952.0  e   feb13   3720
 21 GLU- 
         HN     21 GLU- HA      6.00  #     2      492.0  e   feb13   1063
         HN     21 GLU- QB      6.30  # i   2      729.0*2e   feb13   4043
         HN     22 LYS+ HN      6.30  #     2      391.0  e   feb13   2348
         HA     21 GLU- QB      7.10  # m   2      476.0*2e   feb13   4045
         HA     22 LYS+ HN      4.50  #     2     2972.0  e   feb13   1062
         QB     22 LYS+ HN      6.60  # m   2      793.0*2e   feb13   3075
 22 LYS+ 
         HN     22 LYS+ HA      3.90  #     2     7443.0  e   feb13   1052
         HN     22 LYS+ HB2     3.40 <#     2    17550.0  e   feb13   1050
         HN     22 LYS+ HB3     4.70 >#     2     2267.0  e   feb13   1545
         HN     22 LYS+ QG      5.50  # m   1     7345.0*2e   feb13   1055
         HN     22 LYS+ QD      7.40  # m   1      859.0*2e   feb13   1544
         HN     22 LYS+ QE      7.50  # m w 1      690.5*2e   feb13   1890
         HN     23 GLY  HN      6.30  #     2      396.0  e   feb13   3483
         HA     22 LYS+ HB2     3.70  #     2     9562.0  e   feb13   1051
         HA     22 LYS+ HB3     3.30  #     2    19290.0  e   feb13   1608
         HA     22 LYS+ QG      4.90  # i   1     9315.0*2e   feb13   1057
         HA     22 LYS+ QD      5.60  # m   1     6535.0*2e   feb13   1607
         HA     22 LYS+ QE      5.90  # m   1     4577.5*2e   feb13   1606
         HA     23 GLY  HN      3.40  #     2    17150.0  e   feb13    932
         HA     23 GLY  HA1     5.20 <#     2     1280.0  e   feb13   1625
         HA     23 GLY  HA2     6.50 >#   w 2      276.0  e   feb13   1626
         HA     24 GLY  HN      5.30  #     3      695.0  e   feb13   3972
         HB2    22 LYS+ QG      4.50  # m   1    33905.0*2e   feb13   1060
         HB2    23 GLY  HN      5.20 >#     2     1196.0  e   feb13   1429
         HB3    22 LYS+ QE      5.80  # m   1     5060.0*2e   feb13   1622
         HB3    23 GLY  HN      4.30 <#     2     3684.0  e   feb13   1894
         QG     22 LYS+ QE      8.50  # mmw 1      356.5*4e   feb13   1609
         QG     23 GLY  HN      7.30  # m   5      771.5*2e   feb13   1438
         QD     22 LYS+ QE      6.90  # mm  1     4272.5*4e   feb13   1617
         QD     23 GLY  HN      6.90  # m   5     1111.5*2e   feb13   1893
         QE     23 GLY  HN      7.50  # m w 5      147.0*2e   feb13   1892
 23 GLY  
         HN     23 GLY  HA1     4.30  #     2     3951.0  e   feb13    935
         HN     23 GLY  HA2     5.00  #     2     1593.0  e   feb13    937
         HN     24 GLY  HN      4.60  #     2     2450.0  e   feb13   2311
         HA1    24 GLY  HN      6.10  #     2      489.0  e   feb13   4358
 24 GLY  
         HN     24 GLY  HA2     4.70  #     2     2409.0  e   feb13   2317
         HN     25 LYS+ HN      5.80  #     2      653.0  e   feb13   2312
         HA1    25 LYS+ HN      6.50 >#     2      309.0  e   feb13   2316
         HA2    25 LYS+ HN      5.00 <#     2     1482.0  e   feb13   2314
 25 LYS+ 
         HN     25 LYS+ HA      3.50  #     2    13870.0  e   feb13   2324
         HN     25 LYS+ HB2     3.80  #     2     8207.0  e   feb13   1226
         HN     25 LYS+ HB3     3.60  #     2    10530.0  e   feb13   1227
         HN     25 LYS+ HG2     4.40  #     1     8051.0  e   feb13   1229
         HN     25 LYS+ HG3     4.40  #     1     8404.0  e   feb13   1230
         HN     25 LYS+ QD      5.90  # m   1     4191.5*2e   feb13   1228
         HN     25 LYS+ QE      7.30  # m   1      921.5*2e   feb13   1225
         HA     25 LYS+ HB2     3.40  #     2    17340.0  e   feb13   2322
         HA     25 LYS+ HB3     3.70  #     2     9470.0  e   feb13   2321
         HA     25 LYS+ HG2     4.50  #     1     7696.0  e   feb13   2319
         HA     25 LYS+ HG3     4.30  #     1     9896.0  e   feb13   2318
         HA     25 LYS+ QD      5.40  # m   1     7880.0*2e   feb13   2320
         HA     25 LYS+ QE      7.50  # m w 1      500.0*2e   feb13   2323
         HA     26 HIS  HD2     6.50  #   w 5      461.0  e   feb13   3626
         HB2    25 LYS+ QE      5.40 <# m   1     8355.0*2e   feb13   2332
         HB2    26 HIS  HN      3.80  #     2     7861.0  e   feb13   2337
         HB3    25 LYS+ QE      7.50 ># m w 1      561.5*2e   feb13   2328
         HB3    26 HIS  HN      4.00  #     2     6457.0  e   feb13   2338
         HG2    26 HIS  HN      4.70  #     5     3528.0  e   feb13   2339
         HG3    25 LYS+ QE      6.80  # m   1     1560.0*2e   feb13   2325
         HG3    26 HIS  HN      4.90  #     5     2768.0  e   feb13   2340
 26 HIS  
         HN     26 HIS  HB2     3.90  #     2     6546.0  e   feb13   1656
         HN     26 HIS  HB3     4.20  #     2     4715.0  e   feb13   1655
         HN     26 HIS  HD2     6.30  #     1      952.0  e   feb13   3625
         HN     27 LYS+ HA      6.20  #     2      423.0  e   feb13   3620
         HN     31 ASN  HN      6.00  #     4      197.0  e   feb13   3486
         HA     26 HIS  HB2     6.50  #   w 2      270.0  e   feb13   1652
         HA     26 HIS  HB3     6.00  #     2      494.0  e   feb13   1651
         HA     31 ASN  HN      4.70  #     4      811.0  e   feb13   3146
         HB2    27 LYS+ HN      6.10 >#     2      458.0  e   feb13   4131
         HB3    27 LYS+ HN      5.20 <#     2     1293.0  e   feb13   4130
         HB3    31 ASN  HN      6.50  #   w 5      293.0  e   feb13    434
         HD2    30 PRO  HB2     6.50  #   w 5      110.0  e   feb13   3618
         HE1    30 PRO  HA      4.60  #     5     3588.0  e   feb13   3281
         HE1    30 PRO  HB2     4.10 >#     5     6600.0  e   feb13   3283
         HE1    30 PRO  HB3     3.00 <#     5    34880.0  e   feb13   3832
         HE1    30 PRO  HG2     6.00 >#     5     1026.0  e   feb13   3515
         HE1    30 PRO  HG3     4.10 <#     5     6554.0  e   feb13   3284
         HE1    30 PRO  HD3     6.50  #   w 5      298.0  e   feb13   3843
         HE1    31 ASN  HN      3.70  #     5    11040.0  e   feb13     49
         HE1    31 ASN  HA      5.80  #     5     1212.0  e   feb13   4050
         HE1    31 ASN  HB2     4.20 >#     5     6101.0  e   feb13   2545
         HE1    31 ASN  HB3     3.50 <#     5    15715.0  e   noeWut3  254
         HE1    44 PRO  HA      6.50  #   w 5      158.0  e   feb13   4201
         HE1    46 PHE  HB2     5.00  #     5     2430.0  e   feb13   3500
         HE1    46 PHE  HD1     6.50 >#   w 5      289.0  e   feb13   3847
         HE1    46 PHE  HD2     6.30 <#     5      757.0  e   feb13   3397
 27 LYS+ 
         HN     27 LYS+ HA      6.50  #   w 2      253.0  e   feb13   2343
         HN     27 LYS+ QB      4.20  # i   2    11330.0*2e   feb13   2342
         HA     27 LYS+ QB      5.90  # m   2     1696.5*2e   feb13   2344
 28 THR  
         HN     28 THR  HA      4.80  #     2     2080.0  e   feb13    488
         HN     28 THR  QG2     7.50  #   w 1M     304.0  e   feb13   1905
         HN     29 GLY  HN      6.50  #   w 2       40.0  e   feb13   3722
         HA     29 GLY  HN      3.30  #     2    18620.0  e   feb13   3286
         HA     29 GLY  HA1     5.40  #     2      962.0  e   feb13   3939
         HB     28 THR  QG2     3.40  #     1M  139500.0  e   feb13   1032
         HB     29 GLY  HA2     5.10  #     2     1389.5  e   noeWut3 3997
         QG2    29 GLY  HN      5.80  #     5M    5253.0  e   feb13   2932
         QG2    79 LYS+ HG2     7.50  #   w 5M     485.0  e   feb13   4359
         QG2    79 LYS+ QE      8.50  # m w 5M     142.0*2e   feb13   4360
         QG2    81 ILE  HN      7.50  #   w 5M     440.0  e   feb13   4256
 29 GLY  
         HN     29 GLY  HA1     4.20  #     2     4213.0  e   feb13   1883
         HN     29 GLY  HA2     3.80  #     2     7645.0  e   noeWut3 2503
         HN     30 PRO  HA      5.50  #     2      901.0  e   feb13    503
         HN     30 PRO  HB3     6.40  #     2      365.0  e   feb13   3835
         HN     30 PRO  HG2     5.90  #     5     1079.0  e   feb13   1665
         HN     30 PRO  HG3     6.50  #   w 5      529.0  e   feb13   3850
         HN     30 PRO  HD2     6.50  #   w 5      504.0  e   noeWut3 2470
         HN     30 PRO  HD3     6.30  #     5      752.0  e   feb13   1664
         HN     31 ASN  HN      5.80  #     3      393.0  e   feb13   3838
         HA1    31 ASN  HN      6.10  #     3      283.0  e   feb13   3842
         HA1    46 PHE  HE2     4.70  #     5     3416.5  e   noeWut3 3907
         HA1    46 PHE  HZ      3.60 <#     5    12600.0  e   noeWut3 3908
         HA2    30 PRO  HA      5.50  #     2      897.0  e   noeWut3 2504
         HA2    30 PRO  HG3     6.50  #   w 5      384.0  e   noeWut3 2510
         HA2    30 PRO  HD2     4.90  #     5     2794.0  e   noeWut3 3985
         HA2    30 PRO  HD3     4.40  #     5     4886.5  e   noeWut3 3503
         HA2    46 PHE  HE1     5.70  #     5     1307.5  e   noeWut3 3990
         HA2    46 PHE  HZ      4.80 >#     5     2901.5  e   noeWut3 3989
 30 PRO  
         HA     30 PRO  HB2     3.40  #     2    17280.0  e   feb13    235
         HA     30 PRO  HG2     4.70 >#     1     5779.0  e   feb13   1657
         HA     30 PRO  HG3     3.60 <#     1    27570.0  e   feb13    236
         HA     30 PRO  HD2     5.20  #     1     2954.0  e   noeWut3  441
         HA     30 PRO  HD3     5.00  #     1     3873.0  e   feb13    328
         HA     31 ASN  HN      3.20  #     2    23040.0  e   feb13     47
         HA     43 ALA  QB      6.60  #     5M    2705.0  e   feb13   3195
         HB2    30 PRO  HG2     3.90  #     1    17630.0  e   feb13   1658
         HB2    30 PRO  HG3     2.80  #     1   116900.0  e   feb13   1663
         HB2    30 PRO  HD2     5.20  #     1     2956.5  e   noeWut3  442
         HB2    30 PRO  HD3     4.60  #     1     6568.0  e   feb13    331
         HB2    31 ASN  HN      3.90  #     2     6643.0  e   feb13    332
         HB2    46 PHE  HD1     6.50  #   w 5      373.0  e   feb13   3558
         HB3    30 PRO  HG2     4.70  #     1     5575.0  e   feb13   3942
         HB3    30 PRO  HD2     5.10  #     1     3376.0  e   noeWut3 3988
         HB3    30 PRO  HD3     5.70  #     1     1674.0  e   feb13   3845
         HB3    31 ASN  HN      4.60  #     2     2659.0  e   feb13    330
         HG2    30 PRO  HD2     4.00  #     1    15270.0  e   noeWut3  680
         HG2    30 PRO  HD3     3.80  #     1    20160.0  e   feb13   1660
         HG2    46 PHE  HD1     6.40  #     5      719.0  e   feb13   3833
         HG2    46 PHE  HD2     6.50  #   w 5      464.0  e   feb13   3853
         HG2    46 PHE  HE1     6.50  #   w 5      236.0  e   feb13   3392
         HG3    30 PRO  HD2     4.10  #     1    12435.0  e   noeWut3  443
         HG3    30 PRO  HD3     3.90  #     1    17950.0  e   feb13    486
         HG3    31 ASN  HN      5.00  #     5     2584.0  e   feb13   3840
         HG3    43 ALA  QB      5.60  #     5M    5809.0  e   feb13   3723
         HG3    46 PHE  HD1     5.50  #     5     1499.0  e   feb13   3559
         HG3    46 PHE  HE1     6.50  #   w 5      111.0  e   feb13   3846
         HD2    46 PHE  HE1     5.80  #     5     1217.5  e   noeWut3  590
         HD2    46 PHE  HE2     6.10  #     5      933.0  e   noeWut3 3912
         HD2    46 PHE  HZ      5.20 >#     5     2103.5  e   noeWut3  584
         HD3    31 ASN  HN      6.50  #   w 5      187.0  e   feb13   3841
         HD3    46 PHE  HD1     6.20  #     5      819.0  e   feb13   3208
         HD3    46 PHE  HE1     6.50  #   w 5      105.0  e   feb13   3391
         HD3    46 PHE  HE2     4.90  #     5     2702.0  e   noeWut3 3903
         HD3    46 PHE  HZ      4.30 <#     5     5530.0  e   noeWut3 3904
 31 ASN  
         HN     31 ASN  HA      4.00  #     2     6352.0  e   feb13     46
         HN     31 ASN  HB2     3.60  #     2    11900.0  e   feb13     44
         HN     31 ASN  HB3     3.40  #     2    15580.0  e   feb13     45
         HN     32 LEU  HN      5.80  #     2      655.0  e   feb13    406
         HN     32 LEU  QD2     7.50  #   w 5M     607.0  e   feb13   3149
         HN     46 PHE  HB2     6.50  #   w 5      493.0  e   feb13   3143
         HN     46 PHE  HD1     6.50  #   w 5      270.0  e   feb13   3839
         HA     31 ASN  HB2     3.70  #     2    10390.0  e   feb13   1668
         HA     31 ASN  HB3     3.60  #     2    10600.0  e   feb13   1669
         HA     32 LEU  HN      3.20  #     2    24430.0  e   feb13    946
         HB2    32 LEU  HN      5.70  #     2      701.0  e   feb13   2546
 32 LEU  
         HN     32 LEU  HA      5.30  #     2     1053.0  e   feb13    222
         HN     32 LEU  QB      6.30  # i   2      697.0*2e   feb13    223
         HN     32 LEU  HG      4.20  #     1    10900.0  e   feb13    221
         HN     32 LEU  QD1     7.50  #   w 1M     915.0  e   feb13   1678
         HN     32 LEU  QD2     7.30  #     1M    1359.0  e   feb13   1672
         HN     33 HIS  HN      5.00  #     2     1618.0  e   feb13   3936
         HA     32 LEU  QB      6.10  # m   2     1367.5*2e   feb13   1675
         HA     32 LEU  HG      4.90  #     1     4468.0  e   feb13   1674
         HA     32 LEU  QD1     7.50  #   w 1M     316.0  e   feb13   1677
         HA     35 LEU  QD1     7.50  #   w 5M     787.0  e   feb13   4008
         HA     35 LEU  QD2     7.50  #   w 5M     699.0  e   feb13   4009
         QB     35 LEU  QD2     6.10  # m   5M    9580.0*2e   feb13   3502
         QD1    64 LEU  QD1     7.80  # m   5M    2225.0  e   feb13    691
         QD1    98 LEU  QD1     8.50  # m w 5M     184.0  e   feb13   3725
         QD2    35 LEU  QD1     5.80  # m   5M   13490.0  e   feb13   2215
         QD2    35 LEU  QD2     8.50  # m w 5M    1138.0  e   feb13   2214
 33 HIS  
         HN     33 HIS  HA      6.50  #     2      321.0  e   feb13   2262
         HN     33 HIS  QB      7.10  # i w 2      249.5*2e   feb13   1232
         HN     34 GLY  HA2     6.50  #   w 2      234.0  e   feb13   3287
 34 GLY  
         HN     34 GLY  HA1     4.70  #     2     2322.0  e   feb13     87
         HN     34 GLY  HA2     4.80  #     2     1878.0  e   feb13     86
         HN     35 LEU  HN      4.40  #     2     3559.0  e   feb13     84
         HA1    35 LEU  HN      6.50 >#   w 2      200.0  e   feb13   4361
         HA2    35 LEU  HN      4.90 <#     2     1704.0  e   feb13   4362
         HA2   102 THR  QG2     7.40  #     5M    1524.0  e   feb13   3561
 35 LEU  
         HN     35 LEU  HA      3.80  #     2     8892.0  e   feb13     88
         HN     35 LEU  HB2     3.00  #     2    31490.0  e   feb13   2897
         HN     35 LEU  HB3     3.50  #     2    13850.0  e   feb13     89
         HN     35 LEU  QD1     5.20  #     1M   11190.0  e   feb13     90
         HN     35 LEU  QD2     5.90  #     1M    4831.0  e   feb13   2196
         HN     36 PHE  HN      4.20  #     2     4522.0  e   feb13     91
         HA     35 LEU  HB2     3.80 >#     2     7843.0  e   feb13   4022
         HA     35 LEU  HB3     2.90 <#     2    41680.0  e   feb13   2194
         HA     35 LEU  HG      4.60  #     1     5936.0  e   feb13   2900
         HA     35 LEU  QD1     4.00 <#     1M   53390.0  e   feb13   2197
         HA     35 LEU  QD2     4.70 >#     1M   20800.0  e   feb13   2198
         HA     36 PHE  HN      5.00  #     2     1560.0  e   feb13   2206
         HB2    35 LEU  QD1     5.50  #     1M    7144.0  e   feb13   2899
         HB2    35 LEU  QD2     5.00  #     1M   13690.0  e   feb13   2898
         HB2    36 PHE  CG      6.10  # r   5     6645.0*2e   feb13   2241
         HB2    36 PHE  CZ      6.90  # r   5     2772.0*2e   feb13   3395
         HB2    36 PHE  HZ      4.80 <#     5     2973.0  e   feb13   2064
         HB3    35 LEU  QD1     4.60  #     1M   23560.0  e   feb13   2201
         HB3    35 LEU  QD2     4.50  #     1M   25710.0  e   feb13   2200
         HB3    36 PHE  HN      5.80  #     2      621.0  e   feb13   3562
         HB3    36 PHE  CG      6.90  # r   5     2766.5*2e   feb13   2239
         HB3    36 PHE  CZ      6.60  # r   5     3694.5*2e   feb13   3396
         HB3    36 PHE  HZ      6.20 >#     5      859.0  e   feb13   4017
         HG     35 LEU  QD1     4.70  #     1M   18960.0  e   feb13   2213
         HG     35 LEU  QD2     4.50  #     1M   24350.0  e   feb13   3998
         HG     36 PHE  HN      6.20  #     5      812.0  e   feb13   3784
         HG     36 PHE  HA      4.80  #     5     3073.0  e   feb13   4001
         HG     59 TRP  HD1     4.60  #     5     3750.0  e   feb13   3696
         HG     64 LEU  QD1     7.50 >#   w 5M     537.0  e   feb13   4002
         HG     64 LEU  QD2     6.60 <#     5M    2633.0  e   feb13   4003
         QD1    36 PHE  HN      6.80  #     5M    2255.0  e   feb13   2782
         QD1    36 PHE  CG      9.40 ># r   5M    1506.5*2e   feb13   2469
         QD1    40 THR  HA      7.50  #   w 5M    1265.0  e   feb13   3118
         QD1    59 TRP  HD1     4.20 <#     5M   24960.0  e   feb13   3675
         QD1    59 TRP  HE3     7.50 >#   w 5M     776.0  e   feb13   2467
         QD1    59 TRP  HE1     5.70 <#     5M    5601.0  e   feb13   2523
         QD1    64 LEU  QD2     6.70  # m   5M    5534.0  e   feb13   3563
         QD2    36 PHE  HN      6.30  #     5M    3316.0  e   feb13   2781
         QD2    36 PHE  HA      7.10  #     5M    1855.0  e   feb13   4028
         QD2    36 PHE  CG      7.00 <# r   5M   10360.0*2e   feb13   2471
         QD2    59 TRP  HN      7.50  #   w 5M     561.0  e   feb13   2902
         QD2    59 TRP  HD1     6.00 >#     5M    4203.0  e   feb13   3185
         QD2    59 TRP  HE3     6.90 <#     5M    2085.0  e   feb13   2470
         QD2    59 TRP  HE1     7.50 >#   w 5M     633.0  e   feb13   2555
         QD2    59 TRP  HZ2     7.50  #   w 5M     389.0  e   feb13   4011
         QD2    64 LEU  QD1     5.70  # m   5M   15380.0  e   feb13   3429
         QD2    64 LEU  QD2     5.60  # m   5M   16410.0  e   feb13   3781
         QD2    98 LEU  QD1     6.10  # m   5M    9681.0  e   feb13   3417
         QD2   102 THR  HN      7.50  #   w 5M     644.0  e   feb13   3921
         QD2   102 THR  HG1     7.50  #   w 5M    1078.0  e   feb13   3697
 36 PHE  
         HN     36 PHE  HA      3.90  #     2     7567.0  e   feb13    563
         HN     36 PHE  HB2     3.60  #     2    11380.0  e   feb13    561
         HN     36 PHE  HB3     3.70  #     2     8967.0  e   feb13    564
         HN     36 PHE  CG      6.10  # r   1    12640.0*2e   feb13     98
         HN     36 PHE  CZ      6.60  # m   1     1891.5*2e   feb13   1803
         HN     37 GLY  HN      5.50  #     2      878.0  e   feb13   2189
         HA     36 PHE  HB2     3.70  #     2    10100.0  e   feb13    496
         HA     36 PHE  HB3     3.50  #     2    13070.0  e   feb13    558
         HA     36 PHE  CG      5.60  # m   1     6190.0*2e   feb13    559
         HA     36 PHE  CZ      6.90  # i   1      958.0*2e   feb13   1798
         HA     37 GLY  HN      3.30  #     2    20460.0  e   feb13    499
         HB2    36 PHE  CG      6.00  # r   1    14905.0*2e   feb13    560
         HB2    36 PHE  CZ      7.60  # r   1     1902.5*2e   feb13   1797
         HB2    37 GLY  HN      4.70  #     2     2252.0  e   feb13   1801
         HB2    99 LYS+ HA      5.30  #     5     1913.0  e   feb13   4027
         HB2   102 THR  HG1     5.90  #     5     1122.0  e   feb13   3925
         HB3    36 PHE  CG      5.90  # r   1    16630.0*2e   feb13    565
         HB3    36 PHE  CZ      8.30  # r   1      961.0*2e   feb13   1792
         HB3    37 GLY  HN      4.40  #     2     3444.0  e   feb13   1802
         HB3   102 THR  HG1     6.50  #   w 5      486.0  e   feb13   3926
         CG     36 PHE  CZ      7.70  # rr  1    25200.0*4e   feb13     99
         CG     36 PHE  HZ      6.60  # r   1     6630.0*2e   feb13    493
         CG     37 GLY  HN      7.70  # r   5     1302.5*2e   feb13   2188
         CG     59 TRP  HN      8.50  # r w 5      106.5*2e   feb13   2910
         CG     60 LYS+ HA      6.00  # r   5     7380.0*2e   feb13   2672
         CG     60 LYS+ QB      9.50  # rmw 5      571.8*4e   feb13   2638
         CG     60 LYS+ QG      9.50  # rmw 5      498.5*4e   feb13   3294
         CG     61 GLU- HN      7.50  # r   5     1496.5*2e   feb13   2693
         CG     61 GLU- HA      7.00  # r   5     2377.0*2e   feb13   2635
         CG     64 LEU  QD1     9.50 ># r w 5M     353.5*2e   feb13   2949
         CG     64 LEU  QD2     8.20 <# r   5M    3673.5*2e   feb13   2948
         CG     98 LEU  HA      8.50  # r w 5      314.0*2e   feb13   2633
         CG     98 LEU  HB2     8.40  # r   5      704.0*2e   feb13   2240
         CG     98 LEU  QD1     9.50  # r w 5M     755.0*2e   feb13   2950
         CG     99 LYS+ HN      8.50  # r w 5      248.5*2e   feb13   3911
         CG     99 LYS+ HA      6.30  # r   5     5065.0*2e   feb13   2235
         CG     99 LYS+ QB      7.90  # rm  5     2840.0*4e   feb13   2242
         CG     99 LYS+ QG      9.50  # rmw 5      342.2*4e   feb13   2951
         CG    102 THR  QG2     9.50  # r w 5M     657.5*2e   feb13   2952
         CG    102 THR  HG1     7.80  # r   5     1162.0*2e   feb13   3924
         CZ     36 PHE  HZ      5.40  # r   1    39000.0*2e   feb13    494
         CZ     37 GLY  HN      8.50  # r w 5       97.0*2e   feb13   2190
         CZ     60 LYS+ HA      8.00  # r   5      970.0*2e   feb13   2669
         CZ     61 GLU- HN      7.00  # r   5     2533.0*2e   feb13   2592
         CZ     61 GLU- HA      6.40  # r   5     4640.0*2e   feb13   2623
         CZ     61 GLU- QB      9.50  # rmw 5      328.5*4e   feb13   3296
         CZ     62 GLU- HN      8.50  # r w 5      157.5*2e   feb13   2552
         CZ     64 LEU  QD1     9.00 ># r   5M    1924.0*2e   feb13   2905
         CZ     64 LEU  QD2     6.90 <# r   5M   11455.0*2e   feb13   2565
         CZ     95 ILE  HA      7.80  # r   5     1132.0*2e   feb13   2246
         CZ     95 ILE  HB      8.20  # r   5      810.5*2e   feb13   3298
         CZ     95 ILE  QG2     9.20  # r   5M    1734.0*2e   feb13   3300
         CZ     95 ILE  QD1     9.50  # r w 5M     268.0*2e   feb13   4132
         CZ     98 LEU  HN      8.00  # r   5      958.0*2e   feb13   3438
         CZ     98 LEU  HA      7.50  # r   5     1481.0*2e   feb13   2628
         CZ     98 LEU  HB2     6.40  # r   5     4797.5*2e   feb13   3440
         CZ     98 LEU  HB3     5.80  # r   5    10135.0*2e   feb13   4258
         CZ     98 LEU  QD1     7.70  # r   5M    5505.0*2e   feb13   2566
         CZ     98 LEU  QD2     7.90  # r   5M    4560.5*2e   feb13   2569
         CZ     99 LYS+ HN      6.90  # r   5     2677.5*2e   feb13   3423
         CZ     99 LYS+ HA      5.90  # r   5     8805.0*2e   feb13   3436
         CZ     99 LYS+ QG      9.50  # rmw 5      550.0*4e   feb13   3189
         CZ     99 LYS+ QD      7.30  # rm  5     5220.0*4e   feb13   2567
         CZ    102 THR  QG2     9.50  # r w 5M     810.0*2e   feb13   4363
         HZ     60 LYS+ HA      6.50  #   w 5      587.0  e   feb13   2673
         HZ     61 GLU- HN      6.50  #   w 5      516.0  e   feb13   2692
         HZ     61 GLU- HA      4.70  #     5     3345.0  e   feb13   2631
         HZ     64 LEU  QD1     6.50 >#     5M    2823.0  e   feb13   3433
         HZ     64 LEU  QD2     4.50 <#     5M   19000.0  e   feb13   2564
         HZ     95 ILE  HA      4.40  #     5     4809.0  e   feb13   2632
         HZ     95 ILE  HB      5.10  #     5     2174.0  e   feb13   3564
         HZ     95 ILE  QG2     6.00  #     5M    4124.0  e   feb13   3042
         HZ     95 ILE  HG13    3.10  #     5    27370.0  e   feb13   3434
         HZ     95 ILE  QD1     7.50  #   w 5M     842.0  e   feb13   3303
         HZ     98 LEU  HA      6.00  #     5      952.0  e   feb13   2630
         HZ     98 LEU  HB2     4.60  #     5     3680.0  e   feb13   3439
         HZ     98 LEU  HB3     4.20  #     5     5985.0  e   feb13   3435
         HZ     98 LEU  QD1     5.70 <#     5M    5590.0  e   feb13   2563
         HZ     98 LEU  QD2     7.10 >#     5M    1830.0  e   feb13   3127
         HZ     99 LYS+ HA      4.00  #     5     7500.0  e   feb13   3130
         HZ     99 LYS+ QB      6.50  # m   5     1591.0*2e   feb13   3566
         HZ     99 LYS+ QG      7.50  # m w 5      375.0*2e   feb13   3567
         HZ     99 LYS+ QD      5.90  # m   5     2797.0*2e   feb13   2568
 37 GLY  
         HN     37 GLY  HA1     4.80 >#     2     1938.0  e   feb13    106
         HN     37 GLY  HA2     3.90 <#     2     6906.0  e   feb13    107
         HN     38 ARG+ HN      3.90  #     2     7150.0  e   feb13    108
         HN     58 THR  QG2     5.80  #     5M    5224.0  e   feb13   2527
         HN     60 LYS+ HA      5.30  #     4      388.0  e   feb13   2677
         HA1    58 THR  QG2     6.10  #     5M    4052.0  e   feb13   3568
 38 ARG+ 
         HN     38 ARG+ HA      5.00  #     2     1552.0  e   feb13   1236
         HN     38 ARG+ HB2     3.50  #     2    12510.0  e   feb13    501
         HN     38 ARG+ HB3     3.90  #     2     7031.0  e   feb13    502
         HN     38 ARG+ QG      7.50  # m w 1      718.0*2e   feb13   1245
         HA     38 ARG+ HB2     6.00 >#     2      512.0  e   feb13   1235
         HA     38 ARG+ HB3     4.60 <#     2     2641.0  e   feb13   1234
         HB2    59 TRP  HD1     5.10  #     5     2334.0  e   feb13   3677
         HB3    38 ARG+ QD      4.60  # m   1    26040.0*2e   feb13   1244
         HB3    40 THR  HN      6.40  #     3      225.0  e   feb13   4054
         HB3    59 TRP  HD1     5.30  #     5     1775.0  e   feb13   3676
         QG     38 ARG+ QD      8.10  # mm  1     1153.0*4e   feb13   2156
 39 LYS+ 
         HN     58 THR  HA      6.10  #     4      181.0  e   feb13   2277
         HN     59 TRP  HN      4.50  #     4     1145.0  e   feb13   3569
         HB2    40 THR  HN      4.00  #     2     5738.0  e   feb13   2271
         HB3    40 THR  HN      4.10  #     2     5187.0  e   feb13   2270
         QG     40 THR  HN      7.50  # m w 5      452.0*2e   feb13   2269
 40 THR  
         HN     40 THR  HA      4.00  #     2     6117.0  e   feb13    358
         HN     40 THR  HB      4.50  #     2     2917.0  e   feb13   1339
         HN     40 THR  QG2     4.30  #     1M   34180.0  e   feb13    357
         HN     40 THR  HG1     6.20  #     1      989.0  e   feb13   3809
         HN     41 GLY  HN      5.70  #     2      734.0  e   feb13   4061
         HN     56 GLY  HN      5.70  #     4      253.0  e   feb13   2997
         HN     57 ILE  HN      4.30  #     4     1427.0  e   feb13   3170
         HN     57 ILE  HG13    6.50  #   w 5      400.0  e   feb13   3968
         HN     57 ILE  QD1     6.00  #     5M    4411.0  e   feb13   3164
         HN     59 TRP  HB3     6.50  #   w 5      127.0  e   feb13   3304
         HA     40 THR  HB      4.60  #     2     2720.0  e   feb13   1340
         HA     40 THR  QG2     4.80  #     1M   17210.0  e   feb13    183
         HA     40 THR  HG1     6.50  #   w 1      147.0  e   feb13   3805
         HA     41 GLY  HN      3.90  #     2     7328.0  e   feb13   2259
         HA     59 TRP  HD1     4.40  #     5     4970.0  e   feb13   3117
         HA     59 TRP  HE3     6.50  #   w 5      633.0  e   feb13   2163
         HA     59 TRP  HE1     3.40  #     5    16510.0  e   feb13   2162
         HB     40 THR  QG2     4.90  #     1M   15430.0  e   feb13   1283
         HB     40 THR  HG1     5.30  #     1     2666.0  e   feb13   2161
         HB     41 GLY  HN      5.20  #     2     1269.0  e   feb13   3803
         HB     56 GLY  HN      5.70  #     5     1332.0  e   feb13   4364
         HB     59 TRP  HE1     6.50  #   w 5      473.0  e   feb13   2181
         QG2    40 THR  HG1     7.50  #   w 1M     722.0  e   feb13   3811
         QG2    41 GLY  HN      6.60  #     5M    2621.0  e   feb13   2528
         QG2    41 GLY  HA2     5.90  #     5M    4592.0  e   feb13   3305
         QG2    55 LYS+ HN      6.90  #     5M    2171.0  e   feb13   2991
         QG2    55 LYS+ HB3     5.50  #     5M    6355.0  e   feb13   3571
         QG2    55 LYS+ QD      8.50  # m w 5M     222.0*2e   feb13   4365
         QG2    56 GLY  HN      5.50  #     5M    6879.0  e   feb13   3162
         QG2    59 TRP  HN      7.50  #   w 5M     823.0  e   feb13   3572
         QG2    59 TRP  HD1     7.00  #     5M    1901.0  e   feb13   2170
         QG2    59 TRP  HE3     6.10  #     5M    3837.0  e   feb13   2178
         QG2    59 TRP  HE1     4.90  #     5M   11780.0  e   feb13   2165
         QG2    59 TRP  HZ3     7.10  #     5M    1883.0  e   feb13   2166
         QG2    59 TRP  HH2     6.30  #     5M    3348.0  e   feb13   2167
         QG2    74 TYR  CG      9.50  # r w 5M     687.0*2e   feb13   3666
         HG1    41 GLY  HN      6.20  #     5      829.0  e   feb13   3807
         HG1    41 GLY  HA2     6.50  #   w 5      237.0  e   feb13   3810
         HG1    56 GLY  HN      3.80  #     5     9919.0  e   feb13   3804
         HG1    57 ILE  HN      5.70  #     5     1260.0  e   feb13   4134
         HG1    59 TRP  HE1     6.50  #   w 5      519.0  e   feb13   3808
 41 GLY  
         HN     41 GLY  HA1     3.80  #     2     7759.0  e   feb13   1430 geom 21 + geom 75
         HN     41 GLY  HA2     4.00  #     2     6419.0  e   feb13   1433
         HN     42 GLN  HN      4.80  #     2     2079.0  e   feb13   1787
         HN     53 LYS+ HA      5.10  #     4      548.0  e   feb13   2260
         HN     56 GLY  HN      5.50  #     4      313.0  e   feb13   2996
         HN     59 TRP  HD1     6.50  #   w 5      504.0  e   feb13   2257
         HN     59 TRP  HE1     4.80  #     5     2909.0  e   feb13   2995
         HA1    42 GLN  HN      4.10  #     2     5414.0  e   feb13   1785
         HA1    55 LYS+ HN      4.60  #     4     1004.0  e   feb13   2935
         HA2    42 GLN  HN      3.70  #     2     9838.0  e   feb13   2155
         HA2    42 GLN  HG2     3.70  #     5    10780.0  e   feb13   4316
         HA2    42 GLN  HG3     4.70  #     5     3559.0  e   feb13   4315
         HA2    53 LYS+ HA      2.90  #     4    17150.0  e   feb13   3573
 42 GLN  
         HN     42 GLN  HA      4.30  #     2     4036.0  e   feb13   1069
         HN     42 GLN  HB2     4.40  #     2     3520.0  e   feb13   1772
         HN     42 GLN  HB3     4.60  #     2     2491.0  e   feb13   1766
         HN     42 GLN  HG2     4.90 >#     1     4273.0  e   feb13   1764
         HN     42 GLN  HG3     4.00 <#     1    14740.0  e   feb13   1765
         HN     43 ALA  HN      4.00  #     2     5763.0  e   feb13   1066
         HA     42 GLN  HB2     3.50 <#     2    13900.0  e   feb13   1767
         HA     42 GLN  HB3     4.60 >#     2     2642.0  e   feb13   1770
         HA     42 GLN  HG2     5.00  #     1     3674.0  e   feb13   1768
         HA     42 GLN  HG3     4.50  #     1     6855.0  e   feb13   1769
         HA     42 GLN  HE22    6.50  #   w 1      227.0  e   feb13   4178
         HA     43 ALA  HN      4.60  #     2     2478.0  e   feb13   1070
         HA     43 ALA  QB      7.20  #     2M     139.0  e   feb13   4174
         HB2    42 GLN  HE22    6.50  #   w 1      108.0  e   feb13   4179
         HG2    42 GLN  HE22    5.30  #     1     2529.0  e   feb13   4176
         HG3    42 GLN  HE22    4.20  #     1    11370.0  e   feb13   4177
         HE22   53 LYS+ HA      6.50  #   w 5      103.0  e   feb13   4181
 43 ALA  
         HN     43 ALA  QB      3.30  #   s 2M   38160.0  e   feb13    521
         HA     43 ALA  QB      4.10  #     2M    3868.0  e   feb13   3119
         QB     46 PHE  HN      5.20  #     3M    2866.0  e   feb13   4135
         QB     46 PHE  HB2     6.90  #     5M    2078.0  e   feb13   3726
         QB     46 PHE  HD1     7.50  #   w 5M     374.0  e   feb13   3848
         QB     47 THR  HN      5.30  #     3M    2790.0  e   feb13   3727
 44 PRO  
         HA     44 PRO  HB2     3.80  #     2     8526.0  e   feb13   4192
         HA     44 PRO  HB3     3.60  #     2    10950.0  e   feb13   2494
         HA     44 PRO  HG2     5.70  #     1     1692.0  e   feb13   4193
         HA     44 PRO  HG3     5.40  #     1     2460.0  e   feb13   4195
         HA     44 PRO  HD2     6.50  #   w 1      639.0  e   feb13   4194
         HB2    45 GLY  HN      5.50  #     2      847.0  e   feb13   2225
         HB3    45 GLY  HN      5.90  #     2      585.0  e   feb13   2224
 45 GLY  
         HN     45 GLY  HA1     6.00 >#     2      493.0  e   feb13    511
         HN     45 GLY  HA2     5.10 <#     2     1395.0  e   feb13    512
         HN     46 PHE  HN      5.50  #     2      920.0  e   feb13   2216
         HA1    46 PHE  HN      4.30 <#     2     3776.0  e   feb13   3574
         HA2    46 PHE  HN      5.90 >#     2      557.0  e   feb13   2222
 46 PHE  
         HN     46 PHE  HA      3.80  #     2     7691.0  e   feb13    509
         HN     46 PHE  HB2     3.50  #     2    14450.0  e   feb13    508
         HN     46 PHE  HB3     3.60  #     2    12380.0  e   feb13    342
         HN     47 THR  HA      5.60  #     2      762.0  e   feb13   2221
         HA     46 PHE  HB2     3.20 <#     2    22150.0  e   feb13    354
         HA     46 PHE  HB3     4.40 >#     2     3164.0  e   feb13    353
         HA     47 THR  HN      3.70  #     2     9220.0  e   feb13   2220
         HB2    46 PHE  HD1     4.80  #     1     5083.0  e   feb13    345
         HB2    47 THR  HN      5.80  #     2      635.0  e   feb13   3728
         HB2    48 TYR  CG      8.10  # r   5      879.5*2e   feb13   3918
         HB3    46 PHE  HD1     5.10  #     1     3290.0  e   feb13    346
         HD1    46 PHE  HE1     6.50  #   w 1      139.0  e   feb13    351
         HD1    46 PHE  HZ      4.60  #     1     6560.0  e   noeWut3 2333
         HD1    47 THR  HA      5.90  #     5     1038.0  e   feb13   3730
         HD1    48 TYR  HA      6.50  #   w 5      215.0  e   feb13   2228
         HD2    46 PHE  HE1     6.50  #   w 1       89.0  e   feb13    349
         HD2    48 TYR  HN      6.40  #     5      734.0  e   feb13   2226
         HD2    48 TYR  CG      7.40  # r   5     1655.0*2e   feb13   3920
         HE1    46 PHE  HZ      3.90  #     1    17295.0  e   noeWut3 2332
 47 THR  
         HN     47 THR  HA      4.40  #     2     3515.0  e   feb13    320
         HN     47 THR  HB      3.80  #     2     7865.0  e   feb13    324
         HN     47 THR  QG2     5.80  #     1M    5712.0  e   feb13    323
         HN     48 TYR  HN      5.30  #     2     1038.0  e   feb13    524
         HA     47 THR  HB      3.70  #     2     9830.0  e   feb13    318
         HA     47 THR  QG2     4.00  #     1M   49380.0  e   feb13    327
         HA     48 TYR  HN      3.10  #     2    27040.0  e   feb13    523
         HB     47 THR  QG2     3.90  #     1M   65140.0  e   feb13    326
         HB     48 TYR  HN      5.10  #     2     1408.0  e   feb13   3307
         QG2    48 TYR  HN      5.30  #     5M    7922.0  e   feb13    534
 48 TYR  
         HN     48 TYR  HA      3.90  #     2     7290.0  e   feb13    164
         HN     48 TYR  HB2     4.10  #     2     4853.0  e   feb13   2230
         HN     48 TYR  HB3     4.60  #     2     2745.0  e   feb13   2229
         HN     49 THR  HN      5.70  #     2      719.0  e   feb13   1444
         HA     48 TYR  HB3     4.40  #     2     3325.0  e   feb13    527
         HA     49 THR  HN      3.60  #     2    10970.0  e   feb13    537
         HB2    49 THR  HN      4.50  #     2     2917.0  e   feb13   3575
         HB2    53 LYS+ HN      5.10  #     5     2162.0  e   feb13   2575
         HB3    49 THR  HN      5.10  #     2     1444.0  e   feb13   3970
         CG     52 ASN  HB3     6.40  # r   5     5020.0*2e   feb13   4136
         CG     53 LYS+ HA      8.50  # r w 5      130.0*2e   feb13   4366
 49 THR  
         HN     49 THR  HA      4.20  #     2     4216.0  e   feb13    538
         HN     49 THR  QG2     4.90  #     1M   14500.0  e   feb13   1158
         HN     50 ASP- HN      6.20  #     2      411.0  e   feb13   2927
         HN     52 ASN  HN      5.20  #     3      828.0  e   feb13   1449
         HN     52 ASN  HB2     4.50 >#     3     1880.0  e   feb13   3308
         HN     52 ASN  HB3     3.50 <#     3     8474.0  e   feb13   1806
         HA     49 THR  QG2     4.10  #     1M   47620.0  e   feb13   1439
         HA     50 ASP- HN      3.50  #     2    14140.0  e   feb13   2833
         HB     50 ASP- HN      4.00  #     2     5976.0  e   feb13   3153
         QG2    50 ASP- HN      6.20  #     5M    3692.0  e   feb13   1447
         QG2    52 ASN  HN      6.70  #     5M    2382.0  e   feb13   2983
         QG2    78 THR  HN      7.50  #   w 5M     414.0  e   feb13   2816
         QG2    78 THR  HA      5.30  #     5M    7989.0  e   feb13    801
         QG2    78 THR  HB      7.50  #   w 5M    1162.0  e   feb13   2152
         QG2    79 LYS+ HN      5.30  #     5M    7652.0  e   feb13   2821
         QG2    79 LYS+ QE      7.70  # m   5M    2472.0*2e   feb13   4087
         QG2    80 MET  HN      7.50  #   w 5M     727.0  e   feb13   3310
 50 ASP- 
         HN     50 ASP- HA      3.20  #     2    24660.0  e   feb13    545
         HN     50 ASP- QB      4.30  # i   2     9840.0*2e   feb13    367
         HN     51 ALA  HN      4.00  #     2     6062.0  e   feb13    369
         HA     50 ASP- QB      3.90  # i   2    17770.0*2e   feb13    368
         HA     51 ALA  HN      5.60  #     2      750.0  e   feb13   1292
         HA     52 ASN  HN      5.10  #     3      923.0  e   feb13   1344
         HA     53 LYS+ HN      3.80  #     3     4965.0  e   feb13   1294
         HA     53 LYS+ HA      4.50  #     3     1756.0  e   feb13   1351 tentative!
         HA     53 LYS+ QB      4.60  # m   3     7255.0*2e   feb13   1296 tentative!
         HA     53 LYS+ QG      6.20  # m   5     2075.5*2e   feb13   1348
         HA     53 LYS+ QD      5.50  # m   5     4118.5*2e   feb13   3577
         HA     53 LYS+ QE      5.70  # m   5     3259.0*2e   feb13   1341
         HA     54 ASN  HN      4.60  #     3     1544.0  e   feb13   2805
         HA     54 ASN  HD21    6.10  #     5      885.0  e   feb13   2184
         QB     51 ALA  HN      4.90  # m   2     6835.0*2e   feb13   1291
         QB     51 ALA  HA      6.20  # m   2     1231.0*2e   feb13   2989
         QB     52 ASN  HN      7.50  # m w 3       85.5*2e   feb13   2785
         QB     54 ASN  HD21    6.00  # m   5     2599.5*2e   feb13   2947
         QB     54 ASN  HD22    6.30  # m   5     1767.0*2e   feb13   2895
 51 ALA  
         HN     51 ALA  HA      3.90  #     2     7302.0  e   feb13    547
         HN     51 ALA  QB      3.30  #   s 2M   49030.0  e   feb13    162
         HN     52 ASN  HN      4.10  #     2     5531.0  e   feb13    160
         HA     51 ALA  QB      3.30  #   s 2M   53480.0  e   feb13    165
         HA     52 ASN  HN      5.00  #     2     1636.0  e   feb13    158
         HA     54 ASN  HN      3.90  #     3     4271.0  e   feb13   1311
         HA     54 ASN  HB2     4.90 <#     3     1169.0  e   feb13   1353
         HA     54 ASN  HB3     6.50 >#   w 3      170.0  e   feb13   1345
         HA     54 ASN  HD21    6.50  #   w 5      355.0  e   feb13   2803
         HA     55 LYS+ HN      5.70  #     3      471.0  e   feb13   1334
         HA     75 ILE  QG2     5.20  #     5M    8638.0  e   feb13   3191
         QB     52 ASN  HN      3.40  #     2M   12480.0  e   feb13    155
         QB     52 ASN  HB2     5.60  #     5M    6119.0  e   feb13    549
         QB     78 THR  HN      7.20  #     5M    1719.0  e   feb13   2536
         QB     78 THR  HA      6.50  #     5M    2759.0  e   feb13   2815
         QB     78 THR  HB      7.00  #     5M    1949.0  e   feb13   4261
 52 ASN  
         HN     52 ASN  HB2     3.60  #     2    11040.0  e   feb13    166
         HN     52 ASN  HB3     3.30  #     2    17740.0  e   feb13    167
         HN     53 LYS+ HN      3.70  #     2     9033.0  e   feb13   3578
         HN     53 LYS+ QB      7.30  # m   2      381.0*2e   feb13   2984
         HN     53 LYS+ QD      7.50  # m   5      652.5*2e   feb13   2985
         HN     54 ASN  HB2     5.90  #     3      365.0  e   feb13   1483
         HN     75 ILE  QG2     6.60  #     5M    2588.0  e   feb13   2987
         HB2    53 LYS+ HN      4.30  #     2     3943.0  e   feb13   2611
         HB3    53 LYS+ HN      4.30  #     2     3887.0  e   feb13   2233
 53 LYS+ 
         HN     53 LYS+ HA      3.90  #     2     6819.0  e   feb13    555
         HN     53 LYS+ QB      4.40  # i   2     7880.0*2e   feb13    168
         HN     53 LYS+ QG      5.60  # m   1     6435.0*2e   feb13    169
         HN     53 LYS+ QD      5.10  # m   1    13490.0*2e   feb13   1259
         HN     53 LYS+ QE      7.50  # m w 1      143.0*2e   feb13   1252
         HN     54 ASN  HN      3.80  #     2     7867.0  e   feb13    170
         HN     55 LYS+ HN      5.70  #     3      466.0  e   feb13   1009
         HA     53 LYS+ QB      4.80  # m   2     7865.0*2e   feb13    567
         HA     53 LYS+ QG      4.70  # i   1    13615.0*2e   feb13   1254
         HA     53 LYS+ QD      5.10  # m   1    12265.0*2e   feb13   1346
         HA     53 LYS+ QE      6.30  # m   1     2747.0*2e   feb13   1253
         QB     53 LYS+ QG      6.10  # mm  1    13610.0*4e   feb13   1255
         QB     54 ASN  HN      5.50  # m   2     2986.5*2e   feb13   3731
 54 ASN  
         HN     54 ASN  HA      4.60  #     2     2421.0  e   feb13    572
         HN     54 ASN  HB2     3.70  #     2    10500.0  e   feb13    573
         HN     54 ASN  HB3     4.00  #     2     6415.0  e   feb13    574
         HN     55 LYS+ HN      3.70  #     2     8933.0  e   feb13    176
         HN     55 LYS+ HB3     4.50  #     2     2767.0  e   feb13   3580
         HB2    54 ASN  HD21    4.20  #     1    11650.0  e   feb13   2799
         HB2    54 ASN  HD22    4.70  #     1     5420.0  e   feb13    571
         HB2    55 LYS+ HN      3.90  #     2     7219.0  e   feb13    576
         HB2    55 LYS+ HA      6.50  #   w 2      271.0  e   feb13   4051
         HB3    54 ASN  HD21    4.50  #     1     7338.0  e   feb13   2353
         HB3    55 LYS+ HN      3.90  #     2     7288.0  e   feb13   1343
 55 LYS+ 
         HN     55 LYS+ HA      3.70  #     2     9179.0  e   feb13    578
         HN     55 LYS+ HB2     4.60 >#     2     2464.0  e   feb13   1355
         HN     55 LYS+ HB3     3.50 <#     2    14290.0  e   feb13    177
         HN     55 LYS+ QD      6.70  # m   1     1722.0*2e   feb13   1356
         HN     55 LYS+ QE      7.40  # m   1      886.5*2e   feb13   1811
         HN     56 GLY  HN      4.60  #     2     2416.0  e   feb13    178
         HN     56 GLY  HA2     5.90  #     2      576.0  e   feb13   1360
         HN     57 ILE  HG13    6.50  #   w 5       23.0  e   feb13   3969
         HA     55 LYS+ HB2     4.00  #     2     6032.0  e   feb13   1273
         HA     55 LYS+ HB3     3.70  #     2     9300.0  e   feb13    586
         HA     55 LYS+ QG      6.80  # i   1     1077.5*2e   feb13   1265
         HA     55 LYS+ QD      6.30  # m   1     2723.0*2e   feb13   1272
         HA     56 GLY  HN      5.90  #     2      583.0  e   feb13    583
         HA     57 ILE  HN      4.70  #     3     1438.0  e   feb13    582
         HA     57 ILE  QG2     7.40  #     5M    1458.0  e   feb13   2031
         HB3    56 GLY  HN      4.50  #     2     2757.0  e   feb13    579
         HB3    57 ILE  QD1     7.50  #   w 5M     921.0  e   feb13   1363
         QG     74 TYR  CZ      8.30  # mr  5     1874.0*4e   feb13   3581
         QE     74 TYR  CG      9.50  # mrw 5      443.0*4e   feb13   3311
 56 GLY  
         HN     56 GLY  HA1     4.60 >#     2     2668.0  e   feb13    144
         HN     56 GLY  HA2     3.80 <#     2     7908.0  e   feb13    146
         HN     57 ILE  HN      4.20  #     2     4424.0  e   feb13    141
         HN     57 ILE  QD1     7.50  #   w 5M     616.0  e   feb13   3583
         HA2    57 ILE  HN      6.20  #     2      415.0  e   feb13    580
         HA2    57 ILE  HG12    4.40  #     5     4676.0  e   feb13   1370
 57 ILE  
         HN     57 ILE  HA      4.60  #     2     2729.0  e   feb13   1282
         HN     57 ILE  HB      4.30  #     2     3846.0  e   feb13   1279
         HN     57 ILE  QG2     4.20  #     1M   38040.0  e   feb13    138
         HN     57 ILE  HG12    4.00  #     1    15060.0  e   feb13    139
         HN     57 ILE  HG13    4.10  #     1    13490.0  e   feb13    137
         HN     57 ILE  QD1     5.70  #     1M    6244.0  e   feb13    136
         HN     58 THR  HN      6.50  #   w 2      173.0  e   feb13   2921
         HA     57 ILE  HB      4.00  #     2     6383.0  e   feb13   1280
         HA     57 ILE  QG2     6.10  #     1M    4032.0  e   feb13   1284
         HA     57 ILE  HG12    6.50  #     1      766.0  e   feb13   1367
         HA     57 ILE  HG13    5.70  #     1     1634.0  e   feb13   1366
         HA     57 ILE  QD1     6.00  #     1M    4622.0  e   feb13   1286
         HA     58 THR  HN      3.70  #     2    10120.0  e   feb13   2922
         HB     57 ILE  QG2     4.20  #     1M   40380.0  e   feb13    600
         HB     57 ILE  HG12    3.40  #     1    37990.0  e   feb13    602
         HB     58 THR  HN      3.30  #     2    18810.0  e   feb13   2920
         HB     74 TYR  CZ      7.30  # r   5     1936.0*2e   feb13   1368
         QG2    57 ILE  HG12    4.00  #     1M   51640.0  e   feb13    153
         QG2    57 ILE  QD1     4.80  # m   1M   67760.0  e   feb13    590
         QG2    58 THR  HN      5.30  #     5M    7789.0  e   feb13   2917
         QG2    74 TYR  CZ      8.00  # r   5M    4426.5*2e   feb13   1373
         HG12   57 ILE  QD1     4.50  #     1M   25680.0  e   feb13    593
         HG12   58 THR  HN      5.70 <#     5     1232.0  e   feb13   2918
         HG12   74 TYR  CZ      6.00  # r   5     7345.0*2e   feb13    252
         HG13   57 ILE  QD1     4.40  #     1M   27480.0  e   feb13    597
         HG13   58 THR  HN      6.50 >#   w 5      308.0  e   feb13   3732
         HG13   74 TYR  CZ      6.70  # r   5     3287.0*2e   feb13   1369
         QD1    58 THR  HN      5.70  #     5M    5638.0  e   feb13   2924
         QD1    58 THR  HA      7.40  #     5M    1517.0  e   feb13   2925
         QD1    58 THR  QG2     8.10  # m   5M    1806.0  e   feb13   3198
         QD1    59 TRP  HN      7.50  #   w 5M    1081.0  e   feb13   2906
         QD1    59 TRP  HB2     7.50  #   w 5M     981.0  e   feb13    423
         QD1    63 THR  HA      7.50  #   w 5M     106.0  e   feb13   2729
         QD1    63 THR  HB      5.50  #     5M    6901.0  e   feb13   3114
         QD1    63 THR  QG2     5.50  # m   5M   17520.0  e   feb13   4367
         QD1    74 TYR  CG      9.30  # r   5M    1610.5*2e   feb13   2458
         QD1    74 TYR  CZ      6.80  # r   5M   13490.0*2e   feb13    250
 58 THR  
         HN     58 THR  HA      4.70  #     2     2211.0  e   feb13    182
         HN     58 THR  HB      3.40  #     2    15520.0  e   feb13    605
         HN     58 THR  QG2     6.10  #     1M    3918.0  e   feb13   1287
         HN     63 THR  QG2     6.40  #     5M    3046.0  e   feb13   2919
         HA     58 THR  HB      4.10  #     2     4947.0  e   feb13    837
         HA     58 THR  QG2     4.60  #     1M   21010.0  e   feb13    610
         HA     59 TRP  HN      3.60  #     2    11580.0  e   feb13   2909
         HB     58 THR  QG2     3.90  #     1M   61080.0  e   feb13    611
         HB     58 THR  HG1     4.70  #     1     5821.0  e   feb13   3001
         QG2    58 THR  HG1     6.20  #     1M    3782.0  e   feb13   3002
         QG2    59 TRP  HN      5.00  #     5M   11260.0  e   feb13   2663
         QG2    60 LYS+ HA      7.50  #   w 5M     129.0  e   feb13   2670
         QG2    60 LYS+ QB      8.50  # m w 5M     901.0*2e   feb13   3734
         HG1    60 LYS+ QB      7.30  # m   5      790.5*2e   feb13   2999
         HG1    60 LYS+ QG      6.00  # m   5     2408.5*2e   feb13   2998
         HG1    60 LYS+ QE      7.50  # m w 5      137.5*2e   feb13   3000
 59 TRP  
         HN     59 TRP  HB2     4.10  #     2     5125.0  e   feb13   1817
         HN     59 TRP  HB3     4.30  #     2     4019.0  e   feb13    133
         HN     59 TRP  HD1     4.90  #     1     4207.0  e   feb13   2168
         HN     64 LEU  QD1     7.50  #   w 5M     302.0  e   feb13   2907
         HB2    59 TRP  HE3     5.90  #     1     1466.0  e   feb13   2177
         HB2    59 TRP  HZ3     6.50  #   w 1      286.0  e   feb13   2173
         HB2    64 LEU  QD1     6.60  #     5M    2615.0  e   feb13   2915
         HB2    64 LEU  QD2     7.40  #     5M    1453.0  e   feb13   2914
         HB3    59 TRP  HD1     4.30  #     1     9028.0  e   feb13   2171
         HB3    59 TRP  HE3     5.50  #     1     2107.0  e   feb13   2175
         HD1    59 TRP  HE1     3.70  #     1    22750.0  e   feb13    123
         HE3    59 TRP  HE1     6.20  #     1     1013.0  e   feb13   1816
         HE3    59 TRP  HZ3     4.10  #     1    11920.0  e   feb13    113
         HE3    59 TRP  HZ2     5.30  #     1     2757.0  e   feb13   1289
         HE3    59 TRP  HH2     5.60  #     1     1894.0  e   feb13    116
         HE3    60 LYS+ HN      5.40  #     5     1697.0  e   feb13   2675
         HE3    63 THR  HB      6.50  #   w 5      159.0  e   feb13   4368
         HE3    63 THR  QG2     7.50  #   w 5M    1054.0  e   feb13   3165
         HE3    64 LEU  HN      4.00  #     5     7301.0  e   feb13    662
         HE3    64 LEU  HA      4.70  #     5     3323.0  e   feb13    619
         HE3    64 LEU  HB3     5.60  #     5     1457.0  e   feb13   2468
         HE3    64 LEU  HG      3.30  #     5    20900.0  e   feb13    618
         HE3    64 LEU  QD1     4.50  #     5M   18190.0  e   feb13    125
         HE3    64 LEU  QD2     5.00  #     5M   10590.0  e   feb13   2466
         HE3    67 TYR  HB2     5.80  #     5     1191.0  e   feb13   2463
         HE3    74 TYR  CG      8.50  # r w 5      243.0*2e   feb13   2457
         HE1    59 TRP  HZ2     4.00  #     1    14290.0  e   noeWut3  148
         HE1    59 TRP  HH2     5.80  #     1     1544.0  e   noeWut3 2798
         HE1    64 LEU  QD1     7.50 >#   w 5M     153.0  e   feb13   3965
         HE1    64 LEU  QD2     7.50 <#   w 5M    1175.0  e   feb13   3964
         HZ3    59 TRP  HZ2     4.90  #     1     4378.0  e   feb13    478
         HZ3    59 TRP  HH2     3.80  #     1    21700.0  e   feb13    119
         HZ3    63 THR  HB      5.40  #     5     1642.0  e   feb13   3113
         HZ3    63 THR  QG2     7.50  #   w 5M     617.0  e   feb13   3584
         HZ3    64 LEU  HN      5.90  #     5     1071.0  e   feb13   2642
         HZ3    64 LEU  HA      3.80  #     5     9584.0  e   feb13    126
         HZ3    64 LEU  HB2     6.50 >#   w 5      224.0  e   feb13   3690
         HZ3    64 LEU  HB3     6.40 <#     5      706.0  e   feb13   3688
         HZ3    64 LEU  HG      4.60  #     5     3905.0  e   feb13    124
         HZ3    64 LEU  QD1     4.70 <#     5M   15180.0  e   feb13    622
         HZ3    64 LEU  QD2     6.40 >#     5M    3079.0  e   feb13   2903
         HZ3    67 TYR  HN      4.40  #     5     4585.0  e   feb13   2643
         HZ3    67 TYR  HA      5.20  #     5     1960.0  e   feb13   2879
         HZ3    67 TYR  HB2     3.70  #     5    11120.0  e   feb13   2680
         HZ3    67 TYR  HB3     3.90  #     5     8209.0  e   feb13    128
         HZ3    68 LEU  HN      6.00  #     5      999.0  e   feb13   2282
         HZ3    68 LEU  HG      6.50  #     5      664.0  e   feb13   3689
         HZ3    68 LEU  QD2     7.50  #   w 5M     587.0  e   feb13   2852
         HZ3    74 TYR  CG      7.60  # r   5     1390.5*2e   feb13    617
         HZ3    74 TYR  CZ      6.80  # r   5     3029.5*2e   feb13   2295
         HZ2    59 TRP  HH2     3.50  #     1    34620.0  e   feb13    115
         HZ2    64 LEU  QD1     7.50  #   w 5M     102.0  e   feb13   4317
         HZ2    75 ILE  QD1     6.40  #     5M    3137.0  e   feb13   2176
         HH2    64 LEU  HA      5.30  #     5     1857.0  e   feb13   1020
         HH2    64 LEU  QD1     6.40  #     5M    3084.0  e   feb13   2683
         HH2    67 TYR  HN      5.90  #     5     1073.0  e   feb13   2877
         HH2    67 TYR  HA      6.20  #     5      858.0  e   feb13   2878
         HH2    67 TYR  HB2     4.20  #     5     5934.0  e   feb13   2686
         HH2    67 TYR  HB3     5.00  #     5     2385.0  e   feb13   2846
         HH2    68 LEU  QD2     7.50  #   w 5M     240.0  e   feb13   2684
         HH2    74 TYR  CG      6.50  # r   5     4124.0*2e   feb13    254
         HH2    74 TYR  CZ      6.80  # r   5     2992.5*2e   feb13   2294
         HH2    75 ILE  QG2     7.50  #   w 5M     285.0  e   feb13   3984
         HH2    75 ILE  QD1     5.10  #     5M    9928.0  e   feb13    621
 60 LYS+ 
         HN     60 LYS+ HA      5.20  #     2     1193.0  e   feb13   2285
         HN     60 LYS+ QB      7.10  # i   2      329.0*2e   feb13   2287
         HN     60 LYS+ QG      6.00  # m   1     3822.0*2e   feb13   2661
         HN     60 LYS+ QD      6.80  # m   1     1606.0*2e   feb13   2649
         HN     61 GLU- HN      6.50  #     2      325.0  e   feb13   2640
         HN     61 GLU- HA      6.50  #   w 2      191.0  e   feb13   2286
         HN     62 GLU- HG2     6.10  #     5      898.0  e   feb13   2653
         HN     63 THR  HN      4.90  #     3     1148.0  e   feb13   2667
         HN     64 LEU  HN      4.10  #     3     3505.0  e   feb13   2668
         HA     60 LYS+ QB      4.80  # m   2     8250.0*2e   feb13   2579
         HA     60 LYS+ QG      7.10  # i   1      747.0*2e   feb13   2657
         HA     60 LYS+ QE      5.40  # m   1     7905.0*2e   feb13   2701
         HA     61 GLU- HN      3.60  #     2    10950.0  e   feb13    656
         HA     61 GLU- HA      4.50  #     2     2869.0  e   feb13   2679
         HA     61 GLU- QB      5.90  # m   2     1654.5*2e   feb13   2727
         HA     61 GLU- QG      6.70  # m   5     1247.0*2e   feb13   2678
         HA     62 GLU- HN      5.30  #     3      658.0  e   feb13   2671
         HA     63 THR  HN      5.50  #     3      528.0  e   feb13   2709
         HA     64 LEU  QD1     7.50 >#   w 5M     307.0  e   feb13   2026
         HA     64 LEU  QD2     6.20 <#     5M    3577.0  e   feb13   2674
         QB     60 LYS+ QG      7.70  # mm  1     1751.2*4e   feb13   2660
         QB     60 LYS+ QD      6.60  # mm  1     6575.0*4e   feb13   2659
         QB     61 GLU- HN      4.50  # m   2    13430.0*2e   feb13   2578
         QB     62 GLU- HN      4.40  # m   3    10995.0*2e   feb13   4048
         QB     63 THR  HN      4.90  # m   3     4281.5*2e   feb13   3313
         QG     60 LYS+ QE      7.30  # mm  1     2727.5*4e   feb13    624
         QG     61 GLU- HN      6.30  # m   5     1802.5*2e   feb13   2717
         QG     62 GLU- HN      5.30  # m   5     5180.0*2e   feb13   2655
         QG     62 GLU- HG3     5.60  # m   5     3830.5*2e   feb13   3141
         QG     63 THR  HN      6.30  # m   5     1921.5*2e   feb13   4169
         QG     64 LEU  HN      6.70  # m   5     1259.0*2e   feb13   2710
         QD     60 LYS+ QE      8.10  # mm  1     1118.5*4e   feb13   2699
         QD     61 GLU- HN      6.70  # m   5     1239.0*2e   feb13   2651
         QD     62 GLU- HN      6.30  # m   5     1885.5*2e   feb13   2535
         QD     62 GLU- HG3     6.00  # m   5     2539.5*2e   feb13   3196
         QD     63 THR  HN      6.00  # m   5     2463.0*2e   feb13   1481
 61 GLU- 
         HN     61 GLU- HA      3.70  #     2     9962.0  e   feb13      2
         HN     61 GLU- QB      4.50  # i   2     7190.0*2e   feb13      3
         HN     61 GLU- QG      6.30  # m   1     2802.5*2e   feb13   1681
         HN     62 GLU- HN      4.10  #     2     5199.0  e   feb13   2718
         HN     62 GLU- HA      6.50  #   w 2      194.0  e   feb13   2589
         HN     62 GLU- HG2     3.70  #     5    10960.0  e   feb13   2654
         HN     63 THR  HN      5.80  #     3      422.0  e   feb13   2590
         HN     64 LEU  HN      6.40  #     3      227.0  e   feb13   2593
         HN     64 LEU  HB3     5.40  #     3      594.0  e   feb13   2600
         HN     64 LEU  QD1     7.50 >#   w 5M     442.0  e   feb13   3316
         HN     64 LEU  QD2     7.20 <#     5M    1659.0  e   feb13   2713
         HN     65 MET  HN      6.50  #   w 3      175.0  e   feb13   2753
         HN     95 ILE  HG13    5.10  #     5     2254.0  e   feb13   2716
         HN     99 LYS+ QD      7.50  # m w 5       37.0*2e   feb13   2714
         HA     61 GLU- QG      4.80  # i   1    11125.0*2e   feb13    631
         HA     62 GLU- HN      4.10  #     2     5094.0  e   feb13    627
         HA     63 THR  HN      4.60  #     3     1600.0  e   feb13   2587
         HA     64 LEU  HN      4.50  #     3     1992.0  e   feb13    693
         HA     64 LEU  HB2     4.20 >#     3     2933.0  e   feb13   1699
         HA     64 LEU  HB3     2.90 <#     3    29120.0  e   feb13   3871
         HA     64 LEU  HG      6.50  #   w 5      146.0  e   feb13   3586
         HA     64 LEU  QD1     6.00  #     5M    4132.0  e   feb13   3317
         HA     95 ILE  HG12    6.50 >#   w 5      602.0  e   feb13   3587
         HA     95 ILE  HG13    3.30 <#     5    20260.0  e   feb13   3403
         HA     95 ILE  QD1     6.30  #     5M    3294.0  e   feb13   4139
         QB     61 GLU- QG      6.30  # mm  1     9655.0*4e   feb13    633
         QB     62 GLU- HN      5.00  # m   2     5985.0*2e   feb13   3394
         QB     99 LYS+ QG      8.10  # mm  5      876.2*4e   feb13   3319
         QG     62 GLU- HN      6.40  # m   5     1666.5*2e   feb13   2553
         QG     95 ILE  HG13    5.10  # m   5     7050.0*2e   feb13   3404
         QG     95 ILE  QD1     8.50  # m w 5M     452.0*2e   feb13   3588
 62 GLU- 
         HN     62 GLU- HA      3.40  #     2    15170.0  e   feb13      9
         HN     62 GLU- HB3     3.00  #     2    31850.0  e   feb13      7
         HN     62 GLU- HG2     4.70  #     1     5907.0  e   feb13   1333
         HN     62 GLU- HG3     4.50  #     1     7086.0  e   feb13   1332
         HN     63 THR  HN      3.80  #     2     7800.0  e   feb13      8
         HN     64 LEU  HN      4.90  #     3     1056.0  e   feb13   2581
         HN     65 MET  HN      5.10  #     3      906.0  e   feb13   2309
         HA     62 GLU- HB2     3.10  #     2    29610.0  e   feb13    634
         HA     62 GLU- HB3     3.40  #     2    15040.0  e   feb13    640
         HA     62 GLU- HG2     4.70  #     1     5811.0  e   feb13    638
         HA     62 GLU- HG3     4.60  #     1     6107.0  e   feb13    646
         HA     63 THR  HN      4.60  #     2     2429.0  e   feb13    635
         HA     64 LEU  HN      4.60  #     3     1619.0  e   feb13   2595
         HA     65 MET  HN      4.50  #     3     1924.0  e   feb13   1701
         HA     66 GLU- HN      5.90  #     3      377.0  e   feb13   2722
         HB2    63 THR  HN      3.80  #     2     7830.0  e   feb13   2582
         HB3    63 THR  HN      4.50  #     2     3148.0  e   feb13   2583
         HG2    63 THR  HN      4.80  #     5     3167.0  e   feb13   2584
         HG2    64 LEU  HN      6.50  #   w 5      232.0  e   feb13   2711
         HG3    63 THR  HN      5.00  #     5     2588.0  e   feb13   2585
         HG3    63 THR  QG2     6.10  #     5M    4033.0  e   feb13   3589
 63 THR  
         HN     63 THR  HA      4.00  #     2     5610.0  e   feb13    648
         HN     63 THR  HB      6.30  #     2      398.0  e   feb13   1330
         HN     63 THR  QG2     4.80  #     1M   17210.0  e   feb13    654
         HN     64 LEU  HN      3.60  #     2    12210.0  e   feb13      5
         HN     64 LEU  HB3     6.10  #     2      446.0  e   feb13   2704
         HN     64 LEU  QD1     7.50  #   w 5M     483.0  e   feb13   2707
         HN     64 LEU  QD2     7.50  #   w 5M     644.0  e   feb13   2708
         HN     65 MET  HN      4.40  #     3     2075.0  e   feb13   2705
         HA     63 THR  QG2     4.80  #     1M   17870.0  e   feb13    649
         HA     64 LEU  HN      5.00  #     2     1499.0  e   feb13   2728
         HA     64 LEU  QD1     7.50  #   w 5M      49.0  e   feb13   2735
         HA     65 MET  HN      5.80  #     3      391.0  e   feb13   2742
         HA     66 GLU- HN      4.20  #     3     2863.0  e   feb13   1703
         HA     66 GLU- HB2     3.90  #     3     4222.0  e   feb13   1704
         HA     66 GLU- HB3     4.40  #     3     2251.0  e   feb13   4053
         HA     74 TYR  CZ      8.50  # r w 5      111.0*2e   feb13   4208
         HB     63 THR  QG2     5.50  #     1M    7572.0  e   feb13    651
         HB     64 LEU  HN      6.50  #   w 2      223.0  e   feb13   2733
         HB     64 LEU  QD1     7.50  #   w 5M     165.0  e   feb13   2734
         HB     74 TYR  CZ      8.50  # r w 5      433.0*2e   feb13   1539
         QG2    64 LEU  HN      6.40  #     5M    3063.0  e   feb13   2732
         QG2    74 TYR  CZ      9.50  # r w 5M     743.5*2e   feb13   3115
 64 LEU  
         HN     64 LEU  HA      4.00  #     2     5768.0  e   feb13     14
         HN     64 LEU  HB2     3.60  #     2    12230.0  e   feb13     15
         HN     64 LEU  HB3     3.50  #     2    13070.0  e   feb13    681
         HN     64 LEU  HG      4.20  #     1    11560.0  e   feb13     20
         HN     64 LEU  QD1     5.30  #     1M    9149.0  e   feb13    110
         HN     64 LEU  QD2     5.30  #     1M    9086.0  e   feb13   1683
         HN     65 MET  HN      3.50  #     2    12930.0  e   feb13     21
         HN     65 MET  HB3     4.80  #     2     2010.0  e   feb13   3379
         HN     66 GLU- HN      5.60  #     3      520.0  e   feb13   2731
         HN     68 LEU  QD2     7.50  #   w 5M     271.0  e   feb13   4047
         HA     64 LEU  HB2     4.30 >#     2     3996.0  e   feb13   1329
         HA     64 LEU  HB3     3.40 <#     2    14900.0  e   feb13    657
         HA     64 LEU  HG      3.90  #     1    17640.0  e   feb13    671
         HA     64 LEU  QD1     4.10 <#     1M   46020.0  e   feb13    111
         HA     64 LEU  QD2     5.40 >#     1M    8680.0  e   feb13   1690
         HA     65 MET  HN      5.00  #     2     1560.0  e   feb13   2740
         HA     66 GLU- HN      6.10  #     3      293.0  e   feb13   2757
         HA     67 TYR  HB2     4.60  #     3     1582.0  e   feb13   2690
         HA     67 TYR  HB3     4.50  #     3     1906.0  e   feb13   2850
         HA     68 LEU  HN      4.00  #     3     4020.0  e   feb13   2743
         HA     68 LEU  HG      6.10  #     5      880.0  e   feb13   2748
         HA     68 LEU  QD1     6.90  #     5M    2054.0  e   feb13   2749
         HA     68 LEU  QD2     6.90  #     5M    2178.0  e   feb13   2685
         HB2    64 LEU  QD1     4.80  #     1M   17920.0  e   feb13    661
         HB2    64 LEU  QD2     4.40  #     1M   29320.0  e   feb13   1691
         HB2    65 MET  HN      3.70 >#     2     9949.0  e   feb13   3590
         HB2    68 LEU  QD1     6.60  #     5M    2583.0  e   feb13   3619
         HB2    95 ILE  QD1     7.20  #     5M    1702.0  e   feb13   4369
         HB3    64 LEU  HG      3.70  #     1    25420.0  e   feb13    670
         HB3    64 LEU  QD1     4.50  #     1M   26030.0  e   feb13    672
         HB3    64 LEU  QD2     4.10  #     1M   44050.0  e   feb13   1693
         HB3    65 MET  HN      3.10 <#     2    28840.0  e   feb13    663
         HB3    66 GLU- HN      4.80  #     3     1249.0  e   feb13   2759
         HB3    68 LEU  HN      5.10  #     3      861.0  e   feb13    185
         HB3    68 LEU  QD1     4.10  #     5M   27860.0  e   feb13   4140
         HB3    68 LEU  QD2     5.10  #     5M    9959.0  e   feb13   3320
         HG     64 LEU  QD1     4.10  #     1M   43750.0  e   feb13    668
         HG     64 LEU  QD2     4.10  #     1M   47920.0  e   feb13   1692
         QD1    65 MET  HN      6.80  #     5M    2234.0  e   feb13   2744
         QD1    66 GLU- HN      7.50  #   w 5M    1061.0  e   feb13   2839
         QD1    67 TYR  HA      7.50  #   w 5M     763.0  e   feb13   2882
         QD1    67 TYR  HB2     6.70  #     5M    2502.0  e   feb13   2883
         QD1    67 TYR  HB3     5.60  #     5M    6167.0  e   feb13   2884
         QD1    94 LEU  HG      6.70  #     5M    2367.0  e   feb13   3591
         QD1    94 LEU  QD1     8.10  # m   5M    1838.0  e   feb13   3592
         QD1    95 ILE  QD1     7.60  # m   5M    2687.0  e   feb13   4141
         QD2    65 MET  HN      6.20  #     5M    3494.0  e   feb13   2746
         QD2    68 LEU  HN      7.20  #     5M    1665.0  e   feb13   2747
         QD2    95 ILE  HN      7.50  #   w 5M     869.0  e   feb13   3528
         QD2    95 ILE  HA      7.20  #     5M    1745.0  e   feb13   3812
         QD2    95 ILE  QD1     7.00  # m   5M    4440.0  e   feb13   3535
         QD2    98 LEU  HN      7.10  #     5M    1828.0  e   feb13   2664
         QD2    99 LYS+ HN      7.50  #   w 5M     698.0  e   feb13   2561
 65 MET  
         HN     65 MET  HA      3.40  #     2    16100.0  e   feb13    684
         HN     65 MET  HB2     3.00  #     2    32950.0  e   feb13     24
         HN     65 MET  HB3     3.40  #     2    17300.0  e   feb13   1597
         HN     66 GLU- HN      3.90  #     2     6904.0  e   feb13     25
         HN     68 LEU  QD1     7.00 <#     5M    2025.0  e   feb13   2750
         HN     68 LEU  QD2     7.50 >#   w 5M     760.0  e   feb13   2751
         HN     95 ILE  HG13    5.80  #     5     1213.0  e   feb13   2752
         HA     65 MET  HB2     3.80  #     2     8834.0  e   feb13    685
         HA     66 GLU- HN      4.50  #     2     3042.0  e   feb13    706
         HA     66 GLU- HG2     4.90  #     5     2877.0  e   feb13    710
         HA     68 LEU  HN      6.10  #     3      298.0  e   feb13   2755
         HA     68 LEU  HB2     6.10  #     3      283.0  e   feb13   4142
         HA     68 LEU  QD2     6.90  #     5M    2184.0  e   feb13   3323
 66 GLU- 
         HN     66 GLU- HA      3.40  #     2    14930.0  e   feb13     29
         HN     66 GLU- HB2     3.50  #     2    14190.0  e   feb13     27
         HN     66 GLU- HB3     3.40  #     2    17350.0  e   feb13     28
         HN     66 GLU- HG2     4.30  #     1    10120.0  e   feb13   1322
         HN     66 GLU- HG3     4.40  #     1     8288.0  e   feb13   1323
         HN     67 TYR  HN      3.90  #     2     7372.0  e   feb13     30
         HN     67 TYR  HA      5.40  #     2      996.0  e   feb13    779
         HN     67 TYR  HB2     6.50 <#     2      308.0  e   feb13   2840
         HN     67 TYR  HB3     6.50 >#   w 2       89.0  e   feb13   2847
         HN     74 TYR  CG      8.50  # r w 5      212.5*2e   feb13    247
         HA     66 GLU- HB2     3.20  #     2    23120.0  e   feb13    697
         HA     66 GLU- HB3     3.00  #     2    34860.0  e   feb13    249
         HA     66 GLU- HG2     4.40 >#     1     8416.0  e   feb13    705
         HA     66 GLU- HG3     3.70 <#     1    22750.0  e   feb13    712
         HA     69 GLU- HN      4.00  #     3     3592.0  e   feb13   1709
         HB2    66 GLU- HG3     3.60  #     1    26830.0  e   feb13   1327
         HB2    74 TYR  CG      7.40  # r   5     1759.5*2e   feb13    248
         HB2    74 TYR  CZ      8.50 ># r w 5      603.0*2e   feb13   3735
         HB3    66 GLU- HG3     4.50  #     1     6862.0  e   feb13    717
         HB3    74 TYR  CG      7.60  # r   5     1346.5*2e   feb13    750
         HB3    74 TYR  CZ      6.50 <# r   5     4159.5*2e   feb13   3593
 67 TYR  
         HN     67 TYR  HA      4.30  #     2     3719.0  e   feb13   1595
         HN     67 TYR  HB2     3.50  #     2    14070.0  e   feb13     32
         HN     67 TYR  HB3     3.50  #     2    14150.0  e   feb13    723
         HN     74 TYR  CG      8.40  # r   5      741.5*2e   feb13    711
         HA     67 TYR  HB2     4.40  #     2     3475.0  e   feb13   2885
         HA     67 TYR  HB3     4.70  #     2     2319.0  e   feb13   2881
         HA     68 LEU  HN      6.20  #     2      438.0  e   feb13   2830
         HA     69 GLU- HN      5.20  #     3      748.0  e   feb13    352
         HA     70 ASN  HN      6.10  #     3      308.0  e   feb13   3679
         HA     71 PRO  HA      5.10  #     3      871.0  e   feb13   2886
         HA     74 TYR  QB      6.40  # m   5     1716.5*2e   feb13   4144
         HA     74 TYR  CG      7.30  # r   5     1807.5*2e   feb13   2880
         HB2    68 LEU  HN      4.50  #     2     2929.0  e   feb13   2306
         HB2    68 LEU  QD2     7.50  #   w 5M     858.0  e   feb13   2844
         HB2    74 TYR  QB      7.50  # m w 5      229.5*2e   feb13   3428
         HB2    74 TYR  CG      7.20 <# r   5     2124.5*2e   feb13   2461
         HB2    74 TYR  CZ      8.50  # r w 5      251.5*2e   feb13   2761
         HB3    68 LEU  QD2     6.30  #     5M    3249.0  e   feb13   2849
         HB3    74 TYR  CG      8.50 ># r w 5      562.0*2e   feb13   2855
         HB3    74 TYR  CZ      8.50  # r w 5      127.5*2e   feb13   3594
 68 LEU  
         HN     68 LEU  HA      3.30  #     2    17870.0  e   feb13     35
         HN     68 LEU  HB2     3.50  #     2    13820.0  e   feb13     34
         HN     68 LEU  HB3     3.50  #     2    12640.0  e   feb13   1579
         HN     68 LEU  HG      3.70  #     1    23250.0  e   feb13     33
         HN     68 LEU  QD1     4.50  #     1M   25110.0  e   feb13   1580
         HN     68 LEU  QD2     4.80  #     1M   18290.0  e   feb13    435
         HN     69 GLU- HN      3.80  #     2     8444.0  e   feb13     36
         HA     68 LEU  HB2     3.90 >#     2     7426.0  e   feb13    759
         HA     68 LEU  HB3     3.30 <#     2    19700.0  e   feb13    766
         HA     68 LEU  HG      4.40  #     1     7998.0  e   feb13    763
         HA     68 LEU  QD1     5.10 >#     1M   12510.0  e   feb13    770
         HA     68 LEU  QD2     3.80 <#     1M   67550.0  e   feb13    436
         HA     69 GLU- HN      5.60  #     2      795.0  e   feb13    760
         HA     70 ASN  HN      4.70  #     3     1391.0  e   feb13   1708
         HA     82 PHE  CZ      8.40  # r   5      703.5*2e   feb13   3326
         HA     82 PHE  HZ      6.50  #   w 5      103.0  e   feb13   3328
         HA     85 ILE  QD1     7.50  #   w 5M     622.0  e   feb13   2890
         HA     94 LEU  QD2     7.50  #   w 5M     223.0  e   feb13   3412
         HB2    68 LEU  QD1     4.50  #     1M   26350.0  e   feb13    771
         HB2    68 LEU  QD2     4.80  #     1M   17620.0  e   feb13    437
         HB2    69 GLU- HN      5.10  #     2     1369.0  e   feb13    761
         HB2    85 ILE  HG12    4.00  #     5     7699.0  e   feb13   1587
         HB3    68 LEU  HG      4.40  #     1     8326.0  e   feb13    775
         HB3    68 LEU  QD1     4.30  #     1M   31770.0  e   feb13   1581
         HB3    68 LEU  QD2     4.40  #     1M   27510.0  e   feb13   1583
         HB3    69 GLU- HN      5.90  #     2      589.0  e   feb13   2894
         HB3    82 PHE  HZ      6.50  #   w 5      222.0  e   feb13   3595
         HG     68 LEU  QD1     4.00  #     1M   55760.0  e   feb13    772
         HG     68 LEU  QD2     3.90  #     1M   56650.0  e   feb13    438
         QD1    69 GLU- HN      5.50  #     5M    6653.0  e   feb13   2893
         QD1    82 PHE  CG      9.50 ># r w 5M     204.0*2e   feb13   3205
         QD1    82 PHE  CZ      9.50 ># r w 5M     249.0*2e   feb13   3204
         QD1    82 PHE  HZ      7.50 >#   w 5M     432.0  e   feb13   3596
         QD1    85 ILE  HB      6.90  #     5M    2088.0  e   feb13   3338
         QD1    85 ILE  QG2     6.40  # m   5M    7526.0  e   feb13   3599
         QD1    85 ILE  QD1     6.00  # m   5M   10250.0  e   feb13   3600
         QD1    90 GLU- HN      7.50  #   w 5M     238.0  e   feb13   3203
         QD1    91 ARG+ HN      7.50  #   w 5M     429.0  e   feb13    489
         QD1    91 ARG+ HA      6.10 <#     5M    3947.0  e   feb13   3090
         QD1    94 LEU  HN      7.50 <#   w 5M     951.0  e   feb13   3494
         QD1    94 LEU  HB2     5.60  #     5M    5950.0  e   feb13   3339
         QD1    94 LEU  HB3     6.50  #     5M    2910.0  e   feb13   3341
         QD1    94 LEU  QD1     6.60  # m   5M    6145.0  e   feb13   4145
         QD1    94 LEU  QD2     4.80  # m   5M   40420.0  e   feb13    918
         QD1    95 ILE  HN      6.30 <#     5M    3352.0  e   feb13   3491
         QD1    95 ILE  HA      7.40  #     5M    1522.0  e   feb13   3420
         QD1    95 ILE  HG12    5.10  #     5M    9329.0  e   feb13    395
         QD1    95 ILE  QD1     6.70  # m   5M    5605.0  e   feb13   3534
         QD1    98 LEU  QD1     6.90  # m   5M    4546.0  e   feb13   3421
         QD2    71 PRO  HA      7.50  #   w 5M     419.0  e   feb13   3685
         QD2    71 PRO  HG3     5.80  #     5M    4994.0  e   feb13   3325
         QD2    82 PHE  CG      9.50 <# r w 5M     852.5*2e   feb13   3453
         QD2    82 PHE  CZ      8.80 <# r   5M    2339.5*2e   feb13   3064
         QD2    82 PHE  HZ      7.20 <#     5M    1674.0  e   feb13   3065
         QD2    85 ILE  HN      7.50  #   w 5M     700.0  e   feb13   3069
         QD2    85 ILE  HB      6.40  #     5M    3005.0  e   feb13   3214
         QD2    85 ILE  QG2     6.50  # m   5M    6600.0  e   feb13   3330
         QD2    85 ILE  HG13    6.50  #     5M    2753.0  e   feb13   3211
         QD2    85 ILE  QD1     5.50  # m   5M   18100.0  e   feb13   3331
         QD2    91 ARG+ HA      7.50 >#   w 5M     500.0  e   feb13   3430
         QD2    94 LEU  HN      7.50 >#   w 5M     360.0  e   feb13   3215
         QD2    94 LEU  HB2     7.50  #   w 5M     435.0  e   feb13   3333
         QD2    94 LEU  HB3     7.20  #     5M    1696.0  e   feb13   3336
         QD2    94 LEU  QD1     7.30  # m   5M    3378.0  e   feb13   3737
         QD2    94 LEU  QD2     5.50  # m   5M   18640.0  e   feb13   3056
         QD2    95 ILE  HN      7.50 >#   w 5M     836.0  e   feb13   3219
         QD2    98 LEU  QD1     7.00  # m   5M    4303.0  e   feb13   4249
 69 GLU- 
         HN     69 GLU- HA      3.80  #     2     7993.0  e   feb13    748
         HN     69 GLU- HB2     3.70  #     2    10260.0  e   feb13    754
         HN     69 GLU- HB3     3.30  #     2    20490.0  e   feb13    752
         HN     70 ASN  HN      4.20  #     2     4385.0  e   feb13   4371
         HA     70 ASN  HN      4.70  #     2     2331.0  e   feb13   1465
         HB2    70 ASN  HN      4.30  #     2     3821.0  e   feb13   2892
         HB2    87 LYS+ HA      4.20 <#     5     6035.0  e   feb13   3738
         HB3    70 ASN  HN      4.20  #     2     4764.0  e   feb13   2891
         HB3    87 LYS+ HA      6.00 >#     5      982.0  e   feb13   3739
 70 ASN  
         HN     70 ASN  HB2     4.30  #     2     4143.0  e   feb13    942
         HN     70 ASN  HB3     4.30  #     2     3932.0  e   feb13   1464
         HN     71 PRO  HD2     6.50 >#   w 5       76.0  e   feb13   3601
         HN     71 PRO  HD3     4.90 <#     5     2627.0  e   feb13   3176
         HB2    73 LYS+ HN      6.50  #     3      194.0  e   feb13   3974
 71 PRO  
         HA     71 PRO  HG2     5.20  #     1     2908.0  e   feb13   1042
         HA     71 PRO  HG3     5.00  #     1     3835.0  e   feb13   1453
         HA     71 PRO  HD3     6.50  #   w 1       68.0  e   feb13   1044
         HA     72 LYS+ HN      5.00  #     2     1492.0  e   feb13   1571
         HA     73 LYS+ HN      5.50  #     3      564.0  e   feb13   1569
         HA     74 TYR  HN      5.00  #     3     1010.0  e   feb13   1570
         HA     74 TYR  CG      8.50  # r w 5      333.0*2e   feb13   3602
         HA     75 ILE  HN      6.50  #   w 3      129.0  e   feb13   3971
         HA     76 PRO  HB3     6.50  #   w 5      305.0  e   feb13   3976
         HG2    71 PRO  HD2     6.50  #   w 1      565.0  e   feb13   1041
         HG2    71 PRO  HD3     6.50  #     1      757.0  e   feb13   1046
         HG2    72 LYS+ HN      6.30  #     5      761.0  e   feb13   1451
         HG2    76 PRO  HB3     6.30  #     5      795.0  e   feb13   3603
         HG2    82 PHE  CG      6.90  # r   5     2876.5*2e   feb13   2058
         HG2    82 PHE  CZ      8.30  # r   5      800.0*2e   feb13   2057
         HD2    72 LYS+ HN      6.50  #   w 5      412.0  e   feb13   1572
         HD3    82 PHE  HZ      6.50  #   w 5      583.0  e   feb13   3456
 72 LYS+ 
         HN     72 LYS+ HA      3.90  #     2     6841.0  e   feb13    727
         HN     72 LYS+ HB2     3.60  #     2    11300.0  e   feb13    238
         HN     72 LYS+ HB3     3.50  #     2    14420.0  e   feb13    259
         HN     72 LYS+ HG2     3.90 <#     1    16300.0  e   feb13    237
         HN     72 LYS+ HG3     5.60 >#     1     1862.0  e   feb13    735
         HN     73 LYS+ HN      3.70  #     2     9427.0  e   feb13    239
         HA     72 LYS+ HB2     3.60  #     2    12200.0  e   feb13    257
         HA     72 LYS+ HB3     3.40  #     2    16310.0  e   feb13    728
         HA     72 LYS+ HG2     3.90 <#     1    16370.0  e   feb13    258
         HA     72 LYS+ HG3     6.50 >#   w 1      412.0  e   feb13   1047
         HA     73 LYS+ HN      4.90  #     2     1784.0  e   feb13   1460
         HA     73 LYS+ HB2     6.50  #   w 2       87.0  e   feb13   1468
         HA     76 PRO  HB3     6.50  #   w 3       55.0  e   feb13   3758
         HA     76 PRO  HG2     6.50  #     5      642.0  e   feb13   3759
         HB2    72 LYS+ HG2     3.60  #     1    26690.0  e   feb13    737
         HB2    72 LYS+ HG3     4.30  #     1     8916.0  e   feb13   1457
         HB2    73 LYS+ HN      5.10  #     2     1401.0  e   feb13   1463
         HB3    72 LYS+ HG2     3.40  #     1    41600.0  e   feb13    732
         HB3    72 LYS+ HG3     4.50  #     1     6918.0  e   feb13    744
         HB3    73 LYS+ HN      4.70  #     2     2313.0  e   feb13    730
         HB3    76 PRO  HA      5.40  #     3      589.0  e   feb13   3740
         HG2    73 LYS+ HN      4.80 <#     5     2920.0  e   feb13   1462
         HG2    76 PRO  HA      5.00 <#     5     2460.0  e   feb13   3741
         HG2    76 PRO  HG3     6.50  #   w 5      535.0  e   feb13   3760
         HG3    73 LYS+ HN      6.40 >#     5      714.0  e   feb13   4372
         HG3    76 PRO  HA      6.50 >#   w 5      482.0  e   feb13   3742
 73 LYS+ 
         HN     73 LYS+ HA      3.60  #     2    12000.0  e   feb13    785
         HN     73 LYS+ HB2     3.40  #     2    16440.0  e   feb13    241
         HN     73 LYS+ HB3     3.40  #     2    14980.0  e   feb13   1475
         HN     73 LYS+ QG      7.10  # m   1     1137.5*2e   feb13    263
         HN     73 LYS+ QD      7.10  # m   1     1179.0*2e   feb13   3993
         HN     73 LYS+ QE      7.50  # m w 1       80.5*2e   feb13   1469
         HN     74 TYR  HN      3.40  #     2    17490.0  e   feb13   3345
         HN     74 TYR  QB      6.40  # m   2      966.0*2e   feb13   3604
         HA     73 LYS+ HB2     3.90  #     2     6671.0  e   feb13    262
         HA     73 LYS+ HB3     4.20  #     2     4335.0  e   feb13   1472
         HA     73 LYS+ QG      5.30  # i   1     5700.0*2e   feb13   1473
         HA     73 LYS+ QD      6.50  # m   1     2108.0*2e   feb13   3994
         HA     73 LYS+ QE      7.50  # m w 1      174.0*2e   feb13   1470
         HA     74 TYR  HN      6.50  #   w 2       40.0  e   feb13   2290
         HA     76 PRO  HG3     6.00  #     5      988.0  e   feb13   1712
         HB2    74 TYR  HN      4.70  #     2     2194.0  e   feb13   3765
         HB3    74 TYR  HN      4.80  #     2     2010.0  e   feb13   3764
         QG     73 LYS+ QE      7.40  # mm  1     2398.2*4e   feb13   1121
 74 TYR  
         HN     74 TYR  QB      3.90  # i   2    19270.0*2e   feb13   2301
         HN     74 TYR  CG      7.90  # r   1     1382.0*2e   feb13   2291
         HN     75 ILE  HN      4.10  #     2     5573.0  e   feb13    726
         HN     76 PRO  HB3     4.50  #     3     1850.0  e   feb13   3463
         QB     75 ILE  HN      7.30  # m   2      392.0*2e   feb13   2299
         QB     75 ILE  QG2     8.50  # m w 5M     693.5*2e   feb13   3766
         CG     74 TYR  CZ      8.10  # rr  1    12287.5*4e   feb13    245
         CG     75 ILE  HN      7.90  # r   5     1071.5*2e   feb13   3344
         CG     75 ILE  QG2     9.50  # r w 5M     759.5*2e   feb13   3498
         CG     76 PRO  QD      9.50  # rmw 5       70.2*4e   feb13   3652
 75 ILE  
         HN     75 ILE  HB      4.20  #     2     4698.0  e   feb13   2297
         HN     75 ILE  QG2     7.10  #     1M    1667.0  e   feb13   2296
         HN     75 ILE  QD1     5.90  #     1M    4791.0  e   feb13   4059
         HN     78 THR  HB      6.00  #     3      317.0  e   feb13   3767
         HB     75 ILE  QG2     4.80  #     1M   17290.0  e   feb13   2300
         HB     75 ILE  QD1     5.60  #     1M    6768.0  e   feb13   4060
         HB     78 THR  HB      4.30  #     5     5438.0  e   feb13   3744
         QG2    75 ILE  QD1     5.10  # m   1M   47900.0  e   feb13   4057
         QG2    77 GLY  HA2     6.20  #     5M    3591.0  e   feb13   3605
         QG2    78 THR  HN      6.30  #     5M    3290.0  e   feb13   2574
         QG2    78 THR  HA      7.20  #     5M    1760.0  e   feb13    802
         QG2    78 THR  HB      4.70  #     5M   14990.0  e   feb13   2820
         QG2    78 THR  QG2     7.10  # m   5M    3981.0  e   feb13   3348
 76 PRO  
         HA     76 PRO  HB2     3.50  #     2    13210.0  e   feb13   1154
         HA     76 PRO  HB3     4.00  #     2     6415.0  e   feb13     81
         HA     76 PRO  HG2     4.60 <#     1     6289.0  e   feb13   1155
         HA     76 PRO  HG3     6.50 >#   w 1      256.0  e   feb13   1555
         HA     76 PRO  QD      7.50  # m w 1       53.5*2e   feb13   1553
         HA     77 GLY  HN      4.40  #     2     3466.0  e   feb13     80
         HB2    76 PRO  HG2     4.10  #     1    11980.0  e   feb13   1548
         HB2    76 PRO  HG3     6.50  #   w 1      234.0  e   feb13   1561
         HB2    77 GLY  HN      4.70 <#     2     2288.0  e   feb13   2060
         HB2    78 THR  HN      5.60  #     3      498.0  e   feb13   3154
         HB3    77 GLY  HN      6.50 >#   w 2      132.0  e   feb13   2062
         HG2    76 PRO  QD      5.70  # m   1     5465.0*2e   feb13   1558
         HG2    77 GLY  HN      6.30  #     5      782.0  e   feb13   2061
 77 GLY  
         HN     77 GLY  HA1     6.50 >#   w 2      124.0  e   feb13    786
         HN     77 GLY  HA2     5.00 <#     2     1629.0  e   feb13     79
         HN     78 THR  HN      4.00  #     2     5647.0  e   feb13     75
         HN     78 THR  QG2     6.80  #     5M    2291.0  e   feb13   2153
         HA1    78 THR  HN      6.50  #   w 2      237.0  e   feb13   3745
 78 THR  
         HN     78 THR  HA      4.10  #     2     5284.0  e   feb13    788
         HN     78 THR  HB      3.50  #     2    14390.0  e   feb13    787
         HN     78 THR  QG2     4.50  #     1M   25650.0  e   feb13     71
         HN     78 THR  HG1     6.50  #   w 1      321.0  e   feb13   3775
         HN     81 ILE  QG2     7.50  #   w 5M      77.0  e   feb13   3606
         HA     78 THR  HB      4.20  #     2     4701.0  e   feb13    789
         HA     78 THR  QG2     5.30  #     1M    9022.0  e   feb13    792
         HA     78 THR  HG1     5.20  #     1     2987.0  e   feb13   3774
         HA     79 LYS+ HN      4.00  #     2     6144.0  e   feb13    796
         HA     79 LYS+ HG2     6.40  #     5      725.0  e   feb13   2813
         HA     79 LYS+ HG3     6.50  #   w 5      468.0  e   feb13   2814
         HB     78 THR  QG2     4.30  #     1M   31870.0  e   feb13     76
         HB     79 LYS+ HN      5.00  #     2     1482.0  e   feb13    797
         QG2    78 THR  HG1     7.40  #     1M    1250.0  e   feb13   3773
         QG2    80 MET  HN      4.50  #     5M   19330.0  e   feb13   3349
         QG2    80 MET  HB2     5.70  #     5M    5465.0  e   noeWut3 3963
         HG1    79 LYS+ HN      4.70  #     5     3408.0  e   feb13   3787
         HG1    80 MET  HN      6.40  #     5      695.0  e   feb13   3776
 79 LYS+ 
         HN     79 LYS+ HG2     5.70  #     1     1801.0  e   feb13   4074
         HN     79 LYS+ HG3     5.10  #     1     3191.0  e   feb13   4075
         HN     80 MET  HN      4.10  #     2     5433.0  e   feb13   3158
         HG2    79 LYS+ QE      6.80 <# m   1     1576.5*2e   feb13   4079
         HG3    79 LYS+ QE      7.50 ># m w 1      178.5*2e   feb13   4091
 80 MET  
         HN     80 MET  HA      5.30  #     2     1135.0  e   feb13   1149
         HN     80 MET  HB2     4.50  #     2     2813.0  e   feb13    336
         HA     80 MET  HB2     4.90 >#     2     1827.0  e   noeWut3  474
         HA     80 MET  HB3     3.80 <#     2     8389.0  e   feb13    782
         HA     81 ILE  HN      4.00  #     2     6219.0  e   feb13   2812
 81 ILE  
         HN     81 ILE  HA      4.70  #     2     2182.0  e   feb13    267
         HN     81 ILE  HB      3.50  #     2    14250.0  e   feb13   1488
         HN     81 ILE  QG2     5.30  #     1M    9323.0  e   feb13   1491
         HN     81 ILE  HG12    4.10 <#     1    12380.0  e   feb13   2036
         HN     81 ILE  HG13    4.80 >#     1     4684.0  e   feb13   2037
         HN     81 ILE  QD1     5.80  #     1M    5371.0  e   feb13   2035
         HA     81 ILE  HB      4.40  #     2     3392.0  e   feb13    268
         HA     81 ILE  QG2     4.90  #     1M   15670.0  e   feb13    271
         HA     81 ILE  HG12    4.90  #     1     4431.0  e   feb13    270
         HA     81 ILE  HG13    5.60  #     1     1991.0  e   feb13    269
         HA     81 ILE  QD1     5.00  #     1M   12680.0  e   feb13    272
         HA     82 PHE  HN      4.00  #     2     6131.0  e   feb13    285
         HB     81 ILE  QG2     3.90  #     1M   58830.0  e   feb13    274
         HB     81 ILE  HG12    3.80  #     1    21780.0  e   feb13   1145
         HB     81 ILE  HG13    3.40  #     1    36870.0  e   feb13   2039
         HB     81 ILE  QD1     4.30  #     1M   32860.0  e   feb13    279
         HB     82 PHE  HN      6.50  #   w 2      227.0  e   feb13   2044
         QG2    81 ILE  HG13    4.30  #     1M   32710.0  e   feb13    277
         QG2    81 ILE  QD1     4.50  # m   1M  110500.0  e   feb13   2041
         QG2    82 PHE  HN      5.90  #     5M    4483.0  e   feb13   2558
         QG2    82 PHE  HA      7.50  #   w 5M     620.0  e   feb13   3447
         HG12   81 ILE  QD1     3.70  #     1M   83380.0  e   feb13    278
         HG12   82 PHE  HN      6.50  #   w 5       79.0  e   feb13   3446
         HG13   81 ILE  QD1     4.10  #     1M   47600.0  e   feb13    276
         QD1    82 PHE  HN      7.50  #   w 5M    1277.0  e   feb13   1487
 82 PHE  
         HN     82 PHE  HA      5.00  #     2     1505.0  e   feb13   2042
         HN     82 PHE  QB      6.60  # i   2      490.5*2e   feb13   1140
         HN     83 ALA  HA      6.50  #     2      304.0  e   feb13   2738
         HA     82 PHE  QB      7.50  # m w 2      131.0*2e   feb13   2045
         HA     82 PHE  CG      6.00  # m   1     3679.5*2e   feb13   2046
         HA     82 PHE  CZ      6.60  # i   1     1321.5*2e   feb13   2053
         QB     82 PHE  CG      8.80  # mr  1     1484.2*4e   feb13   2048
         QB     82 PHE  CZ      9.50  # mrw 1      539.8*4e   feb13   2054
         CG     82 PHE  HZ      6.90  # r   1     4424.0*2e   feb13   2051
         CG     85 ILE  HB      8.50  # r w 5      439.0*2e   feb13   3449
         CG     85 ILE  HG12    7.20  # r   5     2059.0*2e   feb13   2067
         CZ     82 PHE  HZ      5.90  # r   1    16630.0*2e   feb13    287
         CZ     84 GLY  HN      8.50  # r w 5      135.0*2e   feb13   4290
         CZ     84 GLY  HA1     8.50  # r w 5      633.0*2e   feb13   4283
         CZ     84 GLY  HA2     8.50  # r w 5      547.5*2e   feb13   4277
         CZ     85 ILE  HN      7.50  # r   5     1473.0*2e   feb13   2087
         CZ     85 ILE  HA      6.80  # r   5     2928.5*2e   feb13   2084
         CZ     85 ILE  HB      6.00  # r   5     7735.0*2e   feb13   3352
         CZ     85 ILE  QG2     9.10  # r   5M    1828.0*2e   feb13   2077
         CZ     85 ILE  HG12    5.80  # r   5     9455.0*2e   feb13   2066
         CZ     85 ILE  HG13    6.00  # r   5     7575.0*2e   feb13   2075
         CZ     85 ILE  QD1     7.50  # r   5M    6910.0*2e   feb13   2068
         HZ     84 GLY  HN      6.50  #   w 5      457.0  e   feb13   3694
         HZ     84 GLY  HA1     5.00 <#     5     2516.0  e   feb13   4282
         HZ     84 GLY  HA2     6.00 >#     5     1006.0  e   feb13   4276
         HZ     85 ILE  HN      6.00  #     5     1009.0  e   feb13   2085
         HZ     85 ILE  HA      4.50  #     5     4296.0  e   feb13   2083
         HZ     85 ILE  HB      3.60  #     5    12660.0  e   feb13   3354
         HZ     85 ILE  QG2     5.20  #     5M    8573.0  e   feb13   2078
         HZ     85 ILE  HG12    3.20  #     5    22830.0  e   feb13   2065
         HZ     85 ILE  HG13    3.30  #     5    20490.0  e   feb13   2076
         HZ     85 ILE  QD1     4.40  #     5M   20850.0  e   feb13   2069
 83 ALA  
         HN     83 ALA  HA      6.50  #   w 2      226.0  e   feb13   2304
         HN     83 ALA  QB      3.70  #     2M    7079.0  e   feb13   2302
         HA     83 ALA  QB      3.30  #   s 2M   73870.0  e   feb13   2303
         QB     84 GLY  HN      4.50  #     2M    2346.0  e   feb13   4288
         QB     84 GLY  HA1     4.20 <#     2M    3459.0  e   feb13   4295
         QB     84 GLY  HA2     6.00 >#     2M     388.0  e   feb13   4275
 84 GLY  
         HN     84 GLY  HA1     5.10  #     2     1315.0  e   feb13   4291
         HA1    85 ILE  HG13    4.20  #     5     5933.0  e   feb13   4294
         HA1    85 ILE  QD1     7.30  #     5M    1587.0  e   feb13   4301
         HA2    85 ILE  HG13    6.50  #   w 5      319.0  e   feb13   4280
 85 ILE  
         HN     85 ILE  HA      3.50  #     2    12630.0  e   feb13    834
         HN     85 ILE  HB      4.00  #     2     6414.0  e   feb13   1495
         HN     85 ILE  QG2     5.80  #     1M    5657.0  e   feb13   1497
         HN     85 ILE  HG12    4.80  #     1     4909.0  e   feb13   1496
         HN     85 ILE  HG13    5.10  #     1     3482.0  e   feb13   1498
         HN     85 ILE  QD1     5.60  #     1M    6702.0  e   feb13   1499
         HN     86 LYS+ HN      5.10  #     2     1441.0  e   feb13   3632
         HA     85 ILE  HB      3.80  #     2     8870.0  e   feb13   1528
         HA     85 ILE  QG2     4.30  #     1M   33860.0  e   feb13   1502
         HA     85 ILE  HG12    4.10  #     1    11830.0  e   feb13   1500
         HA     85 ILE  HG13    3.80  #     1    20350.0  e   feb13   1501
         HA     85 ILE  QD1     5.10  #     1M   12020.0  e   feb13   1503
         HA     86 LYS+ HN      3.20  #     2    22660.0  e   feb13   2099
         HB     85 ILE  QG2     4.10  #     1M   43610.0  e   feb13   1505
         HB     85 ILE  HG13    4.20  #     1    11440.0  e   feb13   1516
         HB     85 ILE  QD1     4.40  #     1M   30990.0  e   feb13   1523
         QG2    85 ILE  HG13    4.10  #     1M   45050.0  e   feb13   1518
         QG2    85 ILE  QD1     4.80  # m   1M   72430.0  e   feb13   1521
         QG2    86 LYS+ HN      5.30  #     5M    7811.0  e   feb13   2101
         QG2    86 LYS+ HA      6.50  #     5M    2933.0  e   feb13   2725
         QG2    86 LYS+ HB2     4.40  #     5M   21530.0  e   feb13   3608
         QG2    86 LYS+ QG      8.30  # m   5M    1622.0*2e   feb13   3747
         QG2    87 LYS+ HN      4.90  #     5M   12290.0  e   feb13   3460
         QG2    90 GLU- HN      6.20  #     5M    3638.0  e   feb13   3455
         QG2    90 GLU- HA      6.60  #     5M    2550.0  e   feb13   3470
         QG2    90 GLU- HB2     5.00  #     5M   10280.0  e   feb13   3748
         QG2    90 GLU- HB3     5.40  #     5M    7398.0  e   feb13   3749
         QG2    91 ARG+ HN      6.00  #     5M    4347.0  e   feb13   3687
         QG2    91 ARG+ HA      5.70  #     5M    5743.0  e   feb13   3778
         HG12   85 ILE  QD1     4.20  #     1M   37450.0  e   feb13   1526
         HG13   85 ILE  QD1     3.90  #     1M   59460.0  e   feb13   1520
         HG13   86 LYS+ HN      4.20  #     5     5993.0  e   feb13   3355
         HG13   86 LYS+ QG      7.50  # m w 5      335.5*2e   feb13   3609
         HG13   90 GLU- HA      5.90  #     5     1041.0  e   feb13    184
         QD1    86 LYS+ HN      7.00  #     5M    1900.0  e   feb13   2103
         QD1    86 LYS+ QG      8.50  # m w 5M     668.5*2e   feb13   3750
         QD1    90 GLU- HB2     7.50 >#   w 5M     295.0  e   feb13   3751
         QD1    90 GLU- HB3     6.00 <#     5M    4419.0  e   feb13   3752
         QD1    94 LEU  HB2     7.50 >#   w 5M     961.0  e   feb13   4373
         QD1    94 LEU  HB3     4.40 <#     5M   19790.0  e   feb13   3358
         QD1    94 LEU  QD1     6.30  # m   5M    7803.0  e   feb13   4146
 86 LYS+ 
         HN     86 LYS+ HA      3.80  #     2     7730.0  e   feb13    973
         HN     86 LYS+ HB2     4.10  #     2     5078.0  e   feb13   2094
         HN     86 LYS+ HB3     3.70  #     2    10320.0  e   feb13   2095
         HN     86 LYS+ QG      6.50  # m   1     2218.0*2e   feb13   2097
         HN     86 LYS+ QD      6.60  # m   1     1818.5*2e   feb13   2096
         HN     90 GLU- HN      6.10  #     3      298.0  e   feb13   2105
         HN     90 GLU- HB2     3.70 <#     3     6034.0  e   feb13   4147
         HN     90 GLU- HB3     4.40 >#     3     2180.0  e   feb13   4148
         HA     86 LYS+ HB2     3.30  #     2    20180.0  e   feb13   2121
         HA     86 LYS+ HB3     3.30  #     2    20550.0  e   feb13   2108
         HA     86 LYS+ QG      5.30  # i   1     5630.0*2e   feb13   2112
         HA     86 LYS+ QD      6.10  # m   1     3243.5*2e   feb13   2111
         HA     86 LYS+ HE2     5.20 <#     1     3121.0  e   feb13   2120
         HA     86 LYS+ HE3     6.20 >#     1     1028.0  e   feb13   2119
         HA     87 LYS+ HN      3.70  #     2     9743.0  e   feb13   2129
         HB2    86 LYS+ HE2     6.50  #   w 1      710.0  e   feb13   2117
         HB2    87 LYS+ HN      3.80 >#     2     8485.0  e   feb13   2827
         HB2    88 LYS+ HN      4.70  #     3     1527.0  e   feb13   3610
         HB2    89 THR  HN      3.70  #     3     6315.0  e   feb13   3459
         HB2    90 GLU- HN      3.70  #     3     6100.0  e   feb13   3181
         HB3    87 LYS+ HN      3.00 <#     2    36120.0  e   feb13   2826
         HB3    87 LYS+ HA      5.10  #     2     1385.0  e   feb13   2832
         HB3    88 LYS+ HN      4.40  #     3     2264.0  e   feb13   3359
         HB3    90 GLU- HN      3.90  #     3     4436.0  e   feb13   3380
         QG     87 LYS+ HN      5.40  # m   5     4868.5*2e   feb13   4149
         QD     89 THR  HB      6.30  # m   5     1918.0*2e   feb13   4150
         HE2    89 THR  QG2     5.40  #     5M    7462.0  e   feb13   3753
 87 LYS+ 
         HN     87 LYS+ HA      4.30  #     2     3662.0  e   feb13   1139
         HN     87 LYS+ QB      3.80  # i   2    22560.0*2e   feb13   2828
         HN     88 LYS+ HN      6.20  #     2      407.0  e   feb13   3360
         HN     88 LYS+ QB      5.60  # m   2     2451.5*2e   feb13   3611
         HN     89 THR  HN      4.30  #     3     2486.0  e   feb13   3755
         HN     90 GLU- HN      4.00  #     3     3870.0  e   feb13   2838
         HN     90 GLU- HB3     4.10  #     3     3207.0  e   feb13   4374
         HA     88 LYS+ HN      3.90  #     2     6588.0  e   feb13   2131
         HA     89 THR  HN      5.40  #     3      638.0  e   feb13   3462
         QB     88 LYS+ HN      7.50  # m   2      304.5*2e   feb13   3362
         QB     90 GLU- HN      5.30  # m   3     2313.0*2e   feb13   3425
 88 LYS+ 
         HN     88 LYS+ HA      4.60  #     2     2421.0  e   feb13   2130
         HN     88 LYS+ QB      4.60  # i   2     5760.0*2e   feb13   2138
         HN     88 LYS+ QG      7.50  # m w 1       75.0*2e   feb13   2134
         HN     88 LYS+ QD      7.20  # m   1     1037.0*2e   feb13   2135
         HN     88 LYS+ QE      7.50  # m w 1      225.5*2e   feb13   2136
         HN     89 THR  HN      4.60  #     2     2470.0  e   feb13   2824
         HN     89 THR  HA      6.50  #   w 2      275.0  e   feb13   2142
         HA     88 LYS+ QB      4.20  # m   2    23805.0*2e   feb13   2098
         HA     88 LYS+ QG      7.10  # i w 1      367.5*2e   feb13   2133
         HA     88 LYS+ QD      5.10  # m   1    11885.0*2e   feb13   2132
         HA     88 LYS+ QE      6.30  # m   1     2587.0*2e   feb13   2137
         HA     89 THR  HN      4.80  #     2     1971.0  e   feb13   2825
         HA     91 ARG+ HN      4.40  #     3     2157.0  e   feb13   3645
         QB     89 THR  HN      5.90  # m   2     1860.0*2e   feb13   4152
         QG     89 THR  HA      7.50  # m w 5      243.0*2e   feb13   3638
 89 THR  
         HN     89 THR  HA      3.60  #     2    12130.0  e   feb13    997
         HN     89 THR  HB      3.70  #     2     9024.0  e   feb13    998
         HN     89 THR  QG2     4.70  #     1M   20690.0  e   feb13   1137
         HN     90 GLU- HN      4.40  #     2     3553.0  e   feb13   2145
         HA     89 THR  HB      3.10  #     2    29400.0  e   feb13   1135
         HA     89 THR  QG2     3.80  #     1M   74650.0  e   feb13   1136
         HA     90 GLU- HN      4.70  #     2     2251.0  e   feb13   1133
         HA     90 GLU- QG      5.80  # m   5     2950.5*2e   feb13   3639
         HA     92 GLU- HN      3.90  #     3     4397.0  e   feb13   3641
         HB     89 THR  QG2     3.50  #     1M  115500.0  e   feb13   1000
         HB     90 GLU- HN      4.40  #     2     3423.0  e   feb13   2147
         QG2    90 GLU- HN      6.70  #     5M    2503.0  e   feb13   3183
         QG2    93 ASP- HN      7.10  #     5M    1819.0  e   feb13   4376
 90 GLU- 
         HN     90 GLU- HA      3.90  #     2     7329.0  e   feb13    988
         HN     90 GLU- HB2     3.40  #     2    14820.0  e   feb13    989
         HN     90 GLU- HB3     3.40  #     2    16820.0  e   feb13    993
         HN     90 GLU- QG      5.30  # m   1    10100.0*2e   feb13   1129
         HN     91 ARG+ HN      3.80  #     2     7734.0  e   feb13   3467
         HA     90 GLU- HB2     3.60  #     2    12280.0  e   feb13    992
         HA     90 GLU- HB3     3.30  #     2    20380.0  e   feb13   1125
         HA     90 GLU- QG      5.30  # i   1     5270.0*2e   feb13   1130
         HA     91 ARG+ HN      4.70  #     2     2169.0  e   feb13    996
         HA     93 ASP- QB      5.40  # m   3     2228.5*2e   feb13   3649
         HB3    91 ARG+ HN      4.20  #     2     4428.0  e   feb13   3363
         QG     91 ARG+ HN      7.50  # m w 5      464.0*2e   feb13   2896
         QG     92 GLU- HN      5.90  # m   5     2833.5*2e   feb13   2148
 91 ARG+ 
         HN     91 ARG+ HA      3.40  #     2    16190.0  e   feb13    984
         HN     91 ARG+ HB2     3.80 >#     2     8678.0  e   feb13    986
         HN     91 ARG+ HB3     3.20 <#     2    23560.0  e   feb13    981
         HN     92 GLU- HN      3.60  #     2    11290.0  e   feb13    982
         HA     91 ARG+ HB2     3.40  #     2    16840.0  e   feb13   1122
         HA     91 ARG+ HB3     3.40  #     2    16940.0  e   feb13   2349
         HA     92 GLU- HN      4.70  #     2     2127.0  e   feb13   2024
         HA     92 GLU- HA      5.20  #     2     1167.0  e   feb13   2028
         HA     94 LEU  HN      4.30  #     3     2346.0  e   feb13   4299
         HA     94 LEU  QD2     5.40  #     5M    7197.0  e   feb13   3087
         HA     95 ILE  QD1     7.50  #   w 5M     850.0  e   feb13   2025
 92 GLU- 
         HN     92 GLU- HA      3.30  #     2    18790.0  e   feb13   2637
         HN     92 GLU- QB      4.30  # i   2    10040.0*2e   feb13    975
         HN     92 GLU- QG      5.60  # m   1     5910.0*2e   feb13   1119
         HA     92 GLU- QB      4.60  # m   2    12350.0*2e   feb13    977
         HA     95 ILE  HN      4.30  #     3     2412.0  e   feb13   2017
         HA     95 ILE  HA      5.90  #     3      356.0  e   feb13   2016
         HA     95 ILE  QG2     4.90  #     5M   11300.0  e   feb13   3044
         HA     95 ILE  HG13    4.70  #     5     3468.0  e   feb13   2014
         HA     95 ILE  QD1     7.00  #     5M    1950.0  e   feb13   2013
         HA     96 ALA  HN      4.30  #     3     2579.0  e   feb13   3364
         QG     95 ILE  QG2     7.40  # m   5M    3065.5*2e   feb13   3905
 93 ASP- 
         HN     93 ASP- HA      3.60  #     2    11740.0  e   feb13   2006
         HN     93 ASP- QB      4.10  # i   2    14575.0*2e   feb13   1115
         HN     94 LEU  HN      3.30  #     2    19460.0  e   feb13   1111
         HN     94 LEU  HB2     3.80  #     2     7784.0  e   feb13   3636
         HN     95 ILE  HN      4.00  #     3     3585.0  e   feb13   3635
         HN     96 ALA  HN      4.60  #     3     1595.0  e   feb13   3634
         HN     96 ALA  QB      5.30  #     3M    2508.0  e   feb13   3612
         HA     93 ASP- QB      4.10  # i   2    13950.0*2e   feb13   2010
         HA     94 LEU  HN      3.80  #     2     7679.0  e   feb13   1117
         HA     96 ALA  HN      4.70  #     3     1417.0  e   feb13   2011
         QB     94 LEU  HN      4.70  # m   2     9935.0*2e   feb13   1116
 94 LEU  
         HN     94 LEU  HA      3.40  #     2    16030.0  e   feb13    963
         HN     94 LEU  HB2     3.20  #     2    23960.0  e   feb13    384
         HN     94 LEU  HB3     3.00  #     2    37400.0  e   feb13    385
         HN     94 LEU  HG      4.90  #     1     4392.0  e   feb13   1745
         HN     94 LEU  QD1     5.20  #     1M   10760.0  e   feb13   1104
         HN     94 LEU  QD2     5.40  #     1M    8849.0  e   feb13   1739
         HN     95 ILE  HN      3.30  #     2    21180.0  e   feb13    952
         HN     95 ILE  QG2     7.50  #   w 5M     355.0  e   feb13   3874
         HN     98 LEU  QD1     7.50  #   w 5M     500.0  e   feb13   3415
         HA     94 LEU  HB2     3.80  #     2     8734.0  e   feb13    962
         HA     94 LEU  HB3     3.70  #     2    10290.0  e   feb13    386
         HA     94 LEU  HG      5.40  #     1     2482.0  e   feb13   1749
         HA     94 LEU  QD1     4.40 <#     1M   29410.0  e   feb13   1101
         HA     94 LEU  QD2     5.40 >#     1M    8806.0  e   feb13   1105
         HA     95 ILE  HN      4.30  #     2     3677.0  e   feb13    970
         HA     96 ALA  HN      4.20  #     3     2815.0  e   feb13   1985
         HA     97 TYR  HD1     6.40  #     5      730.0  e   feb13   2245
         HB2    94 LEU  HG      4.60 <#     1     6002.0  e   feb13   1746
         HB2    94 LEU  QD1     4.30  #     1M   35650.0  e   feb13   1103
         HB2    94 LEU  QD2     4.10  #     1M   42940.0  e   feb13   2004
         HB2    95 ILE  HN      4.50 >#     2     3033.0  e   feb13    960
         HB2    97 TYR  HD1     6.50  #   w 5      401.0  e   feb13   3469
         HB3    94 LEU  HG      5.40 >#     1     2363.0  e   feb13   1752
         HB3    94 LEU  QD1     4.40  #     1M   28340.0  e   feb13   1742
         HB3    94 LEU  QD2     4.60  #     1M   20980.0  e   feb13   1109
         HB3    95 ILE  HN      3.80 <#     2     7694.0  e   feb13    949
         HG     94 LEU  QD2     4.00  #     1M   50560.0  e   feb13   1753
         HG     95 ILE  HN      4.90  #     5     2675.0  e   feb13   3366
         HG     95 ILE  HA      6.50  #   w 5      463.0  e   feb13   3780
         HG     98 LEU  QD1     5.30  #     5M    8167.0  e   feb13    465
         QD1    95 ILE  HN      5.60  #     5M    6167.0  e   feb13   4377
         QD1    96 ALA  HN      7.50  #   w 5M     202.0  e   feb13   3497
         QD1    97 TYR  HD1     4.70  #     5M   14480.0  e   feb13   2251
         QD1    97 TYR  HE1     7.00  #     5M    1950.0  e   feb13   2969
         QD1    98 LEU  HN      5.80 <#     5M    5240.0  e   feb13   2665
         QD1    98 LEU  QD1     5.50  # m   5M   18980.0  e   feb13   2963
         QD1    99 LYS+ HN      7.50  #   w 5M    1078.0  e   feb13   3096
         QD2    95 ILE  HN      6.20  #     5M    3578.0  e   feb13   3369
         QD2    95 ILE  HA      7.50  #   w 5M     861.0  e   feb13   4153
         QD2    95 ILE  QD1     8.50  # m w 5M     263.0  e   feb13   4155
         QD2    96 ALA  HN      7.50  #   w 5M     131.0  e   feb13   3495
         QD2    97 TYR  HD1     7.50  #   w 5M    1006.0  e   feb13   3432
         QD2    98 LEU  HN      7.50 >#   w 5M     607.0  e   feb13   2908
         QD2    98 LEU  HG      5.60  #     5M    6005.0  e   feb13   3413
         QD2    98 LEU  QD1     5.00  # m   5M   34840.0  e   feb13   2964
 95 ILE  
         HN     95 ILE  HA      3.50  #     2    12740.0  e   feb13    378
         HN     95 ILE  HB      3.00  #     2    34940.0  e   feb13    379
         HN     95 ILE  QG2     5.10  #     1M   11240.0  e   feb13   3043
         HN     95 ILE  HG12    3.80  #     1    21110.0  e   feb13    380
         HN     95 ILE  HG13    4.30  #     1     9127.0  e   feb13   1987
         HN     95 ILE  QD1     5.20  #     1M   10320.0  e   feb13   1094
         HN     96 ALA  HN      3.30  #     2    17950.0  e   feb13   2754
         HN     96 ALA  HA      5.10  #     2     1346.0  e   feb13   1996
         HN     98 LEU  QD1     7.50  #   w 5M     622.0  e   feb13   3492
         HA     95 ILE  HB      3.50  #     2    12910.0  e   feb13    382
         HA     95 ILE  QG2     5.70  #     1M    6259.0  e   feb13   3038
         HA     95 ILE  HG12    3.90  #     1    16220.0  e   feb13    950
         HA     95 ILE  HG13    3.90  #     1    18300.0  e   feb13    951
         HA     95 ILE  QD1     4.90  #     1M   15920.0  e   feb13   1100
         HA     96 ALA  HN      4.20  #     2     4543.0  e   feb13   1997
         HA     97 TYR  HN      5.20  #     3      779.0  e   feb13   4046
         HA     98 LEU  HN      3.70  #     3     6494.0  e   feb13   2662
         HA     98 LEU  HB2     3.80 <#     3     5409.0  e   feb13   3613
         HA     98 LEU  HB3     4.60 >#     3     1733.0  e   feb13   3370
         HA     98 LEU  QD1     4.10 <#     5M   31000.0  e   feb13   3201
         HA     98 LEU  QD2     6.80 >#     5M    2328.0  e   feb13   3372
         HA     99 LYS+ HN      4.50  #     3     1788.0  e   feb13   3615
         HB     95 ILE  QG2     4.70  #     1M   20720.0  e   feb13   3040
         HB     95 ILE  HG13    3.80  #     1    21340.0  e   feb13   1990
         HB     95 ILE  QD1     7.50  #   w 1M        .0  e   feb13   1991
         HB     96 ALA  HN      3.50  #     2    12900.0  e   feb13   1998
         QG2    95 ILE  HG12    4.60  #     1M   21220.0  e   feb13   3035
         QG2    95 ILE  HG13    4.30  #     1M   32920.0  e   feb13   3867
         QG2    95 ILE  QD1     5.20  # m   1M   37970.0  e   feb13   3037
         QG2    96 ALA  HN      7.30  #     5M    1562.0  e   feb13   3873
         HG12   95 ILE  QD1     4.50  #     1M   24920.0  e   feb13   1096
         HG12   98 LEU  QD1     6.80  #     5M    2235.0  e   feb13   3197
         HG13   95 ILE  QD1     4.90  #     1M   16050.0  e   feb13   1993
         HG13   96 ALA  HN      4.10  #     5     6389.0  e   feb13   2002
         HG13   96 ALA  HA      5.20  #     5     2019.0  e   feb13   3402
         HG13   98 LEU  QD1     7.50  #   w 5M     743.0  e   feb13   4156
         QD1    96 ALA  HN      7.10  #     5M    1864.0  e   feb13   2003
         QD1    98 LEU  QD1     7.30  # m   5M    3340.0  e   feb13   3536
 96 ALA  
         HN     96 ALA  HA      3.10  #     2    26290.0  e   feb13   1981
         HN     96 ALA  QB      3.30  #   s 2M   68140.0  e   feb13   1979
         HN     97 TYR  HN      4.20  #     2     4436.0  e   feb13   3757
         HN     98 LEU  HN      4.40  #     3     2081.0  e   feb13   2901
         HN     98 LEU  QD1     7.50  #   w 5M     240.0  e   feb13   3496
         HA     96 ALA  QB      3.30  #   s 2M   45890.0  e   feb13   1983
         HA     97 TYR  HN      3.70  #     2    10350.0  e   feb13   2522
         HA     99 LYS+ HN      3.90  #     3     4502.0  e   feb13   3642
         HA     99 LYS+ QB      5.10  # m   3     3135.0*2e   feb13   3650
         HA     99 LYS+ QD      7.50  # m w 5      102.0*2e   feb13   4379
         QB     97 TYR  HN      3.30  #   s 2M   25170.0  e   feb13    388
 97 TYR  
         HN     97 TYR  HA      3.80  #     2     7696.0  e   feb13   1093
         HN     97 TYR  HB2     3.20  #     2    22660.0  e   feb13   1089
         HN     97 TYR  HB3     3.30  #     2    18210.0  e   feb13   1090
         HN     97 TYR  HD1     4.50  #     1     7034.0  e   feb13   1974
         HN     97 TYR  HD2     5.10  #     1     3337.0  e   feb13   1972
         HN     98 LEU  HN      3.50  #     2    14560.0  e   feb13   1953
         HA     97 TYR  HB2     3.30 <#     2    18860.0  e   feb13   1086
         HA     97 TYR  HB3     4.40 >#     2     3496.0  e   feb13   1085
         HA     97 TYR  HD1     4.70  #     1     5603.0  e   feb13   1960
         HA     97 TYR  HD2     4.10  #     1    13020.0  e   feb13   1977
         HA     98 LEU  HN      4.70  #     2     2327.0  e   feb13   1081
         HB2    97 TYR  HD1     4.20  #     1    11180.0  e   feb13   1959
         HB2    97 TYR  HD2     4.30  #     1     9340.0  e   noeWut3 2559
         HB2    97 TYR  HE1     6.40  #     1      833.0  e   feb13   1965
         HB2    97 TYR  HE2     6.50  #   w 1      237.0  e   feb13   1969
         HB2    98 LEU  HN      4.00  #     2     5815.0  e   feb13   1954
         HB3    97 TYR  HD1     4.20  #     1    11390.0  e   feb13   1958
         HB3    97 TYR  HD2     5.00  #     1     3962.0  e   feb13   1947
         HB3    97 TYR  HE1     6.00  #     1     1247.0  e   feb13   1976
         HB3    98 LEU  HN      3.80  #     2     7615.0  e   feb13   1956
         HD1    97 TYR  HE1     4.00  #     1    14970.0  e   feb13   1939
         HD1    97 TYR  HE2     4.00  #     1    14020.0  e   feb13   1945
         HD1    98 LEU  HN      4.00 <#     5     7357.0  e   feb13   1942
         HD1    98 LEU  HA      5.00  #     5     2594.0  e   feb13   2978
         HD1    98 LEU  HB3     3.50  #     5    16020.0  e   feb13   2253
         HD1    98 LEU  HG      4.00  #     5     7994.0  e   feb13   2249
         HD1    98 LEU  QD1     6.50  #     5M    2906.0  e   feb13   2904
         HD1    98 LEU  QD2     5.00  #     5M   11100.0  e   feb13   2252
         HD1    99 LYS+ HN      6.50  #     5      642.0  e   feb13   2869
         HD1   100 LYS+ HB3     5.60  #     5     1461.0  e   feb13   2248
         HD1   101 ALA  QB      6.50  #     5M    2943.0  e   feb13   2250
         HD2    97 TYR  HE1     4.10  #     1    13650.0  e   feb13   1938
         HD2    97 TYR  HE2     3.60  #     1    28560.0  e   feb13   1950
         HD2    98 LEU  HN      5.30 >#     5     1781.0  e   feb13   1952
         HD2    98 LEU  QD1     7.50  #   w 5M     422.0  e   feb13   3292
         HD2   101 ALA  QB      6.40  #     5M    3203.0  e   feb13   3167
         HE1    98 LEU  HN      6.00  #     5     1003.0  e   feb13   2973
         HE1    98 LEU  HA      6.00  #     5      997.0  e   feb13   2979
         HE1    98 LEU  HG      5.20  #     5     2123.0  e   feb13   3374
         HE1    98 LEU  QD1     7.50  #   w 5M     701.0  e   feb13   2965
         HE1    98 LEU  QD2     5.20  #     5M    8830.0  e   feb13   2966
         HE1   101 ALA  QB      5.10  #     5M    9622.0  e   feb13   2968
         HE2   101 ALA  QB      6.10  #     5M    3900.0  e   feb13   3913
 98 LEU  
         HN     98 LEU  HA      3.50  #     2    13610.0  e   feb13    289
         HN     98 LEU  HB2     3.40 >#     2    15220.0  e   feb13    295
         HN     98 LEU  HB3     2.90 <#     2    43030.0  e   feb13   1078
         HN     98 LEU  HG      3.60  #     1    26910.0  e   feb13    291
         HN     98 LEU  QD1     4.90  #     1M   15120.0  e   feb13    293
         HN     98 LEU  QD2     4.70  #     1M   19040.0  e   feb13    292
         HN     99 LYS+ HN      3.10  #     2    29170.0  e   feb13   1630
         HA     98 LEU  HB2     3.60  #     2    11040.0  e   feb13    298
         HA     98 LEU  HB3     3.30  #     2    19570.0  e   feb13   1737
         HA     98 LEU  HG      6.50  #   w 1      242.0  e   feb13    310
         HA     98 LEU  QD1     5.00 >#     1M   12830.0  e   feb13    300
         HA     98 LEU  QD2     4.00 <#     1M   53650.0  e   feb13    299
         HA     99 LYS+ HN      4.60  #     2     2664.0  e   feb13    311
         HA    100 LYS+ HN      6.10  #     3      310.0  e   feb13   1718
         HA    101 ALA  HN      3.90  #     3     4661.0  e   feb13   1715
         HA    101 ALA  HA      5.70  #     3      433.0  e   feb13   1717
         HA    101 ALA  QB      4.10  #     3M   13270.0  e   feb13    840
         HA    102 THR  HN      4.30  #     3     2553.0  e   feb13   3289
         HA    102 THR  QG2     5.50  #     5M    6660.0  e   feb13   3501
         HB2    98 LEU  QD1     4.30  #     1M   31740.0  e   feb13    301
         HB2    98 LEU  QD2     5.40  #     1M    8442.0  e   feb13    302
         HB2    99 LYS+ HN      3.20  #     2    21550.0  e   feb13   3375
         HB3    98 LEU  QD1     4.30  #     1M   33960.0  e   feb13   1734
         HG     98 LEU  QD1     4.20  #     1M   38860.0  e   feb13    304
         HG     98 LEU  QD2     4.40  #     1M   28270.0  e   feb13   1074
         HG    100 LYS+ HN      5.40  #     5     1701.0  e   feb13   1928
         QD1    99 LYS+ HN      6.40 <#     5M    3212.0  e   feb13   2560
         QD2    99 LYS+ HN      7.50 >#   w 5M    1008.0  e   feb13   2559
         QD2   101 ALA  QB      6.40  # m   5M    7475.0  e   feb13   4380
 99 LYS+ 
         HN     99 LYS+ HA      3.30  #     2    18720.0  e   feb13   1064
         HN     99 LYS+ QB      4.10  # i   2    12885.0*2e   feb13   1065
         HN     99 LYS+ QG      6.80  # m   1     1525.5*2e   feb13   1721
         HN     99 LYS+ QD      6.30  # m   1     2697.5*2e   feb13   1729
         HN    100 LYS+ HN      3.30  #     2    18440.0  e   feb13    316
         HA     99 LYS+ QB      4.90  # m   2     6560.0*2e   feb13    315
         HA     99 LYS+ QG      4.70  # i   1    12040.0*2e   feb13   1724
         HA     99 LYS+ QD      4.90  # m   1    16530.0*2e   feb13   1723
         HA    100 LYS+ HN      4.30  #     2     4017.0  e   feb13    314
         HA    102 THR  HN      4.90  #     3     1136.0  e   feb13   3516
         HA    102 THR  HG1     5.50  #     5     1509.0  e   feb13   3445
         QB     99 LYS+ QG      6.60  # mm  1     6180.0*4e   feb13   1725
         QB     99 LYS+ QD      7.10  # mm  1     3310.0*4e   feb13   4024
         QB    100 LYS+ HN      5.20  # m   2     4516.0*2e   feb13   1720
         QB    101 ALA  HN      5.70  # m   3     1375.5*2e   feb13   3782
         QG     99 LYS+ QD      5.70  # mm  1    25525.0*4e   feb13   1726
         QG     99 LYS+ HE2     6.80  # m   1     1585.0*2e   feb13   4031
         QG     99 LYS+ HE3     7.50  # m   1      810.5*2e   feb13   4033
         QG    102 THR  HG1     7.50  # m w 5      443.0*2e   feb13   3466
         QD     99 LYS+ HE2     6.20  # m   1     2833.5*2e   feb13   4034
         QD     99 LYS+ HE3     6.00  # m   1     3834.5*2e   feb13   4030
100 LYS+ 
         HN    100 LYS+ HA      3.70  #     2     9679.0  e   feb13   3503
         HN    100 LYS+ HB2     3.20  #     2    23460.0  e   feb13   1534
         HN    100 LYS+ HB3     3.20  #     2    22910.0  e   feb13   2446
         HN    100 LYS+ HG2     5.30 >#     1     2638.0  e   feb13   1536
         HN    100 LYS+ HG3     4.50 <#     1     6746.0  e   feb13   2450
         HN    100 LYS+ QE      7.50  # m w 1      509.0*2e   feb13   1533
         HN    101 ALA  HN      3.60  #     2    11820.0  e   feb13   1714
         HA    100 LYS+ HB2     3.10  #     2    26440.0  e   feb13   3506
         HA    100 LYS+ HB3     3.30  #     2    19620.0  e   feb13   3505
         HA    100 LYS+ HG2     3.90  #     1    16950.0  e   feb13   3507
         HA    100 LYS+ HG3     4.20  #     1    11460.0  e   feb13   3509
         HA    100 LYS+ QE      7.50  # m w 1      709.0*2e   feb13   3504
         HB2   101 ALA  HN      3.40  #     2    17530.0  e   feb13   3377
         HG2   100 LYS+ QE      5.10  # m   1    12195.0*2e   feb13   2441
         HG3   100 LYS+ QE      5.20  # m   1    10845.0*2e   feb13   2451
         HG3   101 ALA  HN      4.90  #     5     2696.0  e   feb13   3783
101 ALA  
         HN    101 ALA  HA      3.20  #     2    24120.0  e   feb13   1532
         HN    101 ALA  QB      3.30  #   s 2M   36170.0  e   feb13    375
         HN    102 THR  HN      3.90  #     2     6633.0  e   feb13   1930
         HA    101 ALA  QB      3.30  #   s 2M   73950.0  e   feb13    464
         HA    102 THR  HN      4.20  #     2     4303.0  e   feb13    958
         HA    103 ASN  HN      3.90  #     3     4365.0  e   feb13   2786
         HA    104 GLU- HN      4.30  #     3     2378.0  e   feb13   2183
         QB    102 THR  HN      3.50  #     2M   11320.0  e   feb13   1931
102 THR  
         HN    102 THR  HA      5.60  #     2      763.0  e   feb13   1160
         HN    102 THR  QG2     5.10  #     1M   12200.0  e   feb13    959
         HN    103 ASN  HN      4.20  #     2     4290.0  e   feb13   3159
         HN    104 GLU- HN      6.50  #   w 3      192.0  e   feb13   1018
         HA    102 THR  QG2     6.20  #     1M    3683.0  e   feb13   1932
         HA    103 ASN  HN      5.40  #     2      924.0  e   feb13   3617
         HG1   103 ASN  HB2     5.00  #     5     2535.0  e   feb13   3441
         HG1   103 ASN  HB3     5.50  #     5     1547.0  e   feb13   3444
103 ASN  
         HN    103 ASN  HB2     3.90  #     2     7208.0  e   feb13    921
         HN    103 ASN  HB3     3.70  #     2    10380.0  e   feb13    922
         HN    104 GLU- HN      3.50  #     2    14050.0  e   feb13   1922
         HN    104 GLU- HA      6.50  #     2      313.0  e   feb13   1926
         HN    104 GLU- QG      7.50  # m w 5      351.0*2e   feb13   1917
         HB2   104 GLU- HN      4.60  #     2     2549.0  e   feb13   1923
         HB3   104 GLU- HN      4.30  #     2     4153.0  e   feb13   1924
         HB3   104 GLU- HA      5.40  #     2      944.0  e   feb13   1919
104 GLU- 
         HN    104 GLU- HA      3.70  #     2    10090.0  e   feb13   1028
         HN    104 GLU- QB      4.40  # i   2     8100.0*2e   feb13   2788
         HN    104 GLU- QG      5.80  # m   1     5155.0*2e   feb13   1328
         HA    104 GLU- QB      4.50  # m   2    13495.0*2e   feb13   1025
         HA    104 GLU- QG      5.30  # i   1     5715.0*2e   feb13   1529

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HN       GLY   1 -12.396   9.510   9.502
    2   2H    GLY   1          2HN       GLY   1 -11.784   8.021   9.866
    3   3H    GLY   1          3HN       GLY   1 -10.763   9.232   9.280
    4   1HA   GLY   1          2HA       GLY   1 -11.039   8.105   7.400
    5   2HA   GLY   1          1HA       GLY   1 -12.705   7.661   7.822
    6    H    ASP   2           H        ASP   2 -10.995   9.670   5.763
    7    HA   ASP   2           HA       ASP   2 -13.414  10.954   5.000
    8   1HB   ASP   2          1HB       ASP   2 -12.689  12.488   6.898
    9   2HB   ASP   2          2HB       ASP   2 -11.245  12.876   5.942
   10    H    VAL   3           H        VAL   3 -13.289  11.170   2.858
   11    HA   VAL   3           HA       VAL   3 -10.982  10.336   1.354
   12    HB   VAL   3           HB       VAL   3 -13.316   9.979   0.629
   13   1HG1  VAL   3          1HG1      VAL   3 -14.263  12.212   1.359
   14   2HG1  VAL   3          2HG1      VAL   3 -13.423  12.956  -0.021
   15   3HG1  VAL   3          3HG1      VAL   3 -14.680  11.742  -0.294
   16   1HG2  VAL   3          1HG2      VAL   3 -11.541   9.931  -1.057
   17   2HG2  VAL   3          2HG2      VAL   3 -13.034  10.607  -1.727
   18   3HG2  VAL   3          3HG2      VAL   3 -11.689  11.682  -1.311
   19    H    GLU   4           H        GLU   4 -12.314  13.504   2.361
   20    HA   GLU   4           HA       GLU   4 -10.919  15.067   0.388
   21   1HB   GLU   4          1HB       GLU   4 -13.045  15.724   1.592
   22   2HB   GLU   4          2HB       GLU   4 -12.119  15.892   3.085
   23   1HG   GLU   4          2HG       GLU   4 -10.673  17.596   1.946
   24   2HG   GLU   4          3HG       GLU   4 -11.685  17.433   0.496
   25    H    LYS   5           H        LYS   5 -10.504  14.440   3.881
   26    HA   LYS   5           HA       LYS   5  -7.987  15.767   4.091
   27   1HB   LYS   5          1HB       LYS   5  -9.735  14.758   5.902
   28   2HB   LYS   5          2HB       LYS   5  -8.556  13.436   5.909
   29   1HG   LYS   5          2HG       LYS   5  -6.761  15.204   6.314
   30   2HG   LYS   5          3HG       LYS   5  -8.071  16.402   6.392
   31   1HD   LYS   5          2HD       LYS   5  -9.109  14.916   8.257
   32   2HD   LYS   5          3HD       LYS   5  -7.606  13.999   8.221
   33   1HE   LYS   5          2HE       LYS   5  -7.381  15.568  10.014
   34   2HE   LYS   5          3HE       LYS   5  -6.350  16.169   8.708
   35   1HZ   LYS   5          3HZ       LYS   5  -9.065  17.135   9.365
   36   2HZ   LYS   5          2HZ       LYS   5  -7.659  17.916   9.699
   37   3HZ   LYS   5          1HZ       LYS   5  -8.135  17.714   8.141
   38    H    GLY   6           H        GLY   6  -8.870  12.322   3.540
   39   1HA   GLY   6          1HA       GLY   6  -6.270  11.286   3.554
   40   2HA   GLY   6          2HA       GLY   6  -7.653  10.555   2.760
   41    H    LYS   7           H        LYS   7  -8.079  12.848   0.920
   42    HA   LYS   7           HA       LYS   7  -6.827  12.213  -1.362
   43   1HB   LYS   7          1HB       LYS   7  -8.621  14.006  -0.970
   44   2HB   LYS   7          2HB       LYS   7  -7.289  15.092  -0.564
   45   1HG   LYS   7          2HG       LYS   7  -7.705  15.582  -2.787
   46   2HG   LYS   7          3HG       LYS   7  -6.309  14.515  -2.885
   47   1HD   LYS   7          2HD       LYS   7  -7.460  13.254  -4.338
   48   2HD   LYS   7          3HD       LYS   7  -8.510  12.752  -2.997
   49   1HE   LYS   7          2HE       LYS   7 -10.014  14.687  -3.453
   50   2HE   LYS   7          3HE       LYS   7  -8.960  15.196  -4.786
   51   1HZ   LYS   7          1HZ       LYS   7  -9.471  13.129  -5.904
   52   2HZ   LYS   7          3HZ       LYS   7 -10.467  12.666  -4.677
   53   3HZ   LYS   7          2HZ       LYS   7 -10.836  13.980  -5.586
   54    H    LYS   8           H        LYS   8  -5.368  14.328   1.106
   55    HA   LYS   8           HA       LYS   8  -2.934  14.583  -0.602
   56   1HB   LYS   8          1HB       LYS   8  -4.356  16.582   0.124
   57   2HB   LYS   8          2HB       LYS   8  -3.681  16.311   1.730
   58   1HG   LYS   8          2HG       LYS   8  -2.089  17.742   1.042
   59   2HG   LYS   8          3HG       LYS   8  -1.371  16.362   0.222
   60   1HD   LYS   8          2HD       LYS   8  -3.266  18.426  -1.004
   61   2HD   LYS   8          3HD       LYS   8  -1.508  18.369  -1.195
   62   1HE   LYS   8          2HE       LYS   8  -1.754  16.082  -2.244
   63   2HE   LYS   8          3HE       LYS   8  -3.512  16.299  -2.223
   64   1HZ   LYS   8          2HZ       LYS   8  -3.191  18.240  -3.633
   65   2HZ   LYS   8          3HZ       LYS   8  -1.564  17.989  -3.658
   66   3HZ   LYS   8          1HZ       LYS   8  -2.574  16.887  -4.332
   67    H    ILE   9           H        ILE   9  -3.861  12.475   1.794
   68    HA   ILE   9           HA       ILE   9  -1.569  12.893   3.564
   69    HB   ILE   9           HB       ILE   9  -4.048  12.371   4.335
   70   1HG1  ILE   9          2HG1      ILE   9  -1.483  11.087   5.388
   71   2HG1  ILE   9          3HG1      ILE   9  -2.169  12.666   5.816
   72   1HG2  ILE   9          3HG2      ILE   9  -4.277  10.211   2.983
   73   2HG2  ILE   9          1HG2      ILE   9  -3.044   9.523   4.038
   74   3HG2  ILE   9          2HG2      ILE   9  -4.597  10.057   4.694
   75   1HD1  ILE   9          2HD1      ILE   9  -4.201  11.411   6.684
   76   2HD1  ILE   9          3HD1      ILE   9  -3.238   9.913   6.509
   77   3HD1  ILE   9          1HD1      ILE   9  -2.687  11.191   7.607
   78    H    PHE  10           H        PHE  10  -3.095  10.515   1.369
   79    HA   PHE  10           HA       PHE  10  -1.159   8.477   1.473
   80   1HB   PHE  10          1HB       PHE  10  -3.096   8.044   0.163
   81   2HB   PHE  10          2HB       PHE  10  -2.929   9.554  -0.737
   82    HD1  PHE  10           HD2      PHE  10  -0.712   6.595  -0.044
   83    HD2  PHE  10           HD1      PHE  10  -2.273   9.299  -3.007
   84    HE1  PHE  10           HE2      PHE  10   0.862   5.693  -1.736
   85    HE2  PHE  10           HE1      PHE  10  -0.627   8.446  -4.639
   86    HZ   PHE  10           HZ       PHE  10   0.905   6.616  -4.011
   87    H    VAL  11           H        VAL  11  -1.263  11.305  -0.825
   88    HA   VAL  11           HA       VAL  11   1.111  10.463  -1.928
   89    HB   VAL  11           HB       VAL  11   1.058  12.569  -3.097
   90   1HG1  VAL  11          2HG1      VAL  11  -0.503  10.736  -3.796
   91   2HG1  VAL  11          3HG1      VAL  11  -1.784  11.511  -2.833
   92   3HG1  VAL  11          1HG1      VAL  11  -1.093  12.338  -4.240
   93   1HG2  VAL  11          3HG2      VAL  11  -1.068  13.427  -1.199
   94   2HG2  VAL  11          1HG2      VAL  11   0.504  14.207  -1.564
   95   3HG2  VAL  11          2HG2      VAL  11  -0.765  14.168  -2.796
   96    H    GLN  12           H        GLN  12   0.567  13.124   0.416
   97    HA   GLN  12           HA       GLN  12   3.311  13.847   0.664
   98   1HB   GLN  12          1HB       GLN  12   1.055  13.985   2.713
   99   2HB   GLN  12          2HB       GLN  12   2.719  14.502   3.023
  100   1HG   GLN  12          2HG       GLN  12   2.552  15.998   0.957
  101   2HG   GLN  12          3HG       GLN  12   0.814  15.663   0.969
  102   1HE2  GLN  12          2HE2      GLN  12   0.844  18.710   2.901
  103   2HE2  GLN  12          1HE2      GLN  12   0.582  18.060   1.291
  104    H    LYS  13           H        LYS  13   1.500  11.081   2.131
  105    HA   LYS  13           HA       LYS  13   3.855  10.431   3.752
  106   1HB   LYS  13          1HB       LYS  13   1.385   8.834   3.009
  107   2HB   LYS  13          2HB       LYS  13   2.697   8.171   3.985
  108   1HG   LYS  13          2HG       LYS  13   1.217  10.719   4.718
  109   2HG   LYS  13          3HG       LYS  13   0.715   9.114   5.269
  110   1HD   LYS  13          3HD       LYS  13   2.879   8.778   6.411
  111   2HD   LYS  13          2HD       LYS  13   3.474  10.314   5.796
  112   1HE   LYS  13          2HE       LYS  13   1.176  11.177   7.023
  113   2HE   LYS  13          3HE       LYS  13   1.592   9.798   8.048
  114   1HZ   LYS  13          2HZ       LYS  13   3.789  10.786   8.318
  115   2HZ   LYS  13          3HZ       LYS  13   3.346  12.071   7.387
  116   3HZ   LYS  13          1HZ       LYS  13   2.606  11.809   8.830
  117    H    CYS  14           H        CYS  14   2.750   9.473   0.509
  118    HA   CYS  14           HA       CYS  14   5.242   8.004   0.011
  119   1HB   CYS  14          1HB       CYS  14   4.019   5.834  -0.003
  120   2HB   CYS  14          2HB       CYS  14   4.357   6.587   1.570
  121    H    ALA  15           H        ALA  15   3.538   9.997  -1.521
  122    HA   ALA  15           HA       ALA  15   2.560   8.516  -3.780
  123   1HB   ALA  15          1HB       ALA  15   3.308  11.360  -3.454
  124   2HB   ALA  15          2HB       ALA  15   3.073  10.625  -5.067
  125   3HB   ALA  15          1HB       ALA  15   1.763  10.532  -3.911
  126    H    GLN  16           H        GLN  16   5.815   9.754  -2.841
  127    HA   GLN  16           HA       GLN  16   6.862   9.977  -5.321
  128   1HB   GLN  16          1HB       GLN  16   7.973  10.768  -3.269
  129   2HB   GLN  16          2HB       GLN  16   8.322   9.095  -2.797
  130   1HG   GLN  16          2HG       GLN  16  10.318  10.119  -3.716
  131   2HG   GLN  16          3HG       GLN  16   9.755   8.829  -4.775
  132   1HE2  GLN  16          2HE2      GLN  16   8.599  11.238  -7.282
  133   2HE2  GLN  16          1HE2      GLN  16   8.419   9.566  -6.718
  134    H    CYS  17           H        CYS  17   6.426   7.009  -3.517
  135    HA   CYS  17           HA       CYS  17   7.777   5.317  -5.540
  136   1HB   CYS  17          1HB       CYS  17   6.376   4.494  -2.996
  137   2HB   CYS  17          2HB       CYS  17   7.451   3.541  -4.036
  138    H    HIS  18           H        HEM  18   4.538   6.469  -4.838
  139    HA   HIS  18           HA       HEM  18   3.407   4.099  -6.298
  140   1HB   HIS  18          1HB       HEM  18   2.698   5.131  -3.545
  141   2HB   HIS  18          2HB       HEM  18   1.542   4.232  -4.512
  142    HD2  HIS  18           HD       HEM  18   4.019   3.687  -1.934
  143    HE1  HIS  18           HE       HEM  18   2.859  -0.119  -3.417
  144    H    THR  19           H        THR  19   1.381   4.311  -7.177
  145    HA   THR  19           HA       THR  19   0.308   7.039  -7.621
  146    HB   THR  19           HB       THR  19   0.121   4.635  -9.353
  147    HG1  THR  19          1HG       THR  19   2.058   5.404 -10.444
  148   1HG2  THR  19          2HG2      THR  19  -1.116   6.700  -9.988
  149   2HG2  THR  19          3HG2      THR  19   0.472   7.424 -10.271
  150   3HG2  THR  19          1HG2      THR  19  -0.011   5.926 -11.155
  151    H    VAL  20           H        VAL  20  -2.112   7.046  -7.802
  152    HA   VAL  20           HA       VAL  20  -3.488   4.615  -6.762
  153    HB   VAL  20           HB       VAL  20  -5.168   6.061  -5.967
  154   1HG1  VAL  20          3HG1      VAL  20  -2.935   5.807  -4.704
  155   2HG1  VAL  20          1HG1      VAL  20  -2.715   7.519  -5.145
  156   3HG1  VAL  20          2HG1      VAL  20  -4.121   7.016  -4.187
  157   1HG2  VAL  20          2HG2      VAL  20  -5.189   7.796  -7.782
  158   2HG2  VAL  20          3HG2      VAL  20  -5.171   8.480  -6.162
  159   3HG2  VAL  20          1HG2      VAL  20  -3.680   8.461  -7.122
  160    H    GLU  21           H        GLU  21  -2.894   6.249  -9.645
  161    HA   GLU  21           HA       GLU  21  -4.975   4.867 -11.054
  162   1HB   GLU  21          1HB       GLU  21  -6.184   6.961 -10.140
  163   2HB   GLU  21          2HB       GLU  21  -5.129   7.908 -11.191
  164   1HG   GLU  21          2HG       GLU  21  -5.999   6.253 -13.075
  165   2HG   GLU  21          3HG       GLU  21  -7.269   5.878 -11.906
  166    H    LYS  22           H        LYS  22  -2.881   7.810 -11.402
  167    HA   LYS  22           HA       LYS  22  -1.588   6.753 -13.856
  168   1HB   LYS  22          1HB       LYS  22  -3.618   8.976 -13.566
  169   2HB   LYS  22          2HB       LYS  22  -2.383   9.148 -14.799
  170   1HG   LYS  22          2HG       LYS  22  -3.159   7.426 -16.125
  171   2HG   LYS  22          3HG       LYS  22  -3.993   6.604 -14.792
  172   1HD   LYS  22          2HD       LYS  22  -5.565   8.449 -14.571
  173   2HD   LYS  22          3HD       LYS  22  -4.808   9.332 -15.899
  174   1HE   LYS  22          2HE       LYS  22  -5.595   7.768 -17.525
  175   2HE   LYS  22          3HE       LYS  22  -5.898   6.516 -16.305
  176   1HZ   LYS  22          2HZ       LYS  22  -7.444   9.012 -16.487
  177   2HZ   LYS  22          3HZ       LYS  22  -7.953   7.528 -17.005
  178   3HZ   LYS  22          1HZ       LYS  22  -7.663   7.807 -15.414
  179    H    GLY  23           H        GLY  23  -0.097   8.457 -14.749
  180   1HA   GLY  23          1HA       GLY  23   1.297  10.268 -14.665
  181   2HA   GLY  23          2HA       GLY  23   0.603  10.746 -13.109
  182    H    GLY  24           H        GLY  24   1.131   8.953 -11.351
  183   1HA   GLY  24          1HA       GLY  24   3.989   8.896 -10.899
  184   2HA   GLY  24          2HA       GLY  24   2.764   8.039  -9.953
  185    H    LYS  25           H        LYS  25   5.444   7.252 -11.282
  186    HA   LYS  25           HA       LYS  25   4.579   5.102 -13.174
  187   1HB   LYS  25          1HB       LYS  25   7.202   6.597 -12.838
  188   2HB   LYS  25          2HB       LYS  25   6.923   5.320 -14.032
  189   1HG   LYS  25          2HG       LYS  25   5.321   6.638 -15.244
  190   2HG   LYS  25          3HG       LYS  25   5.161   7.786 -13.925
  191   1HD   LYS  25          2HD       LYS  25   7.725   8.248 -14.320
  192   2HD   LYS  25          3HD       LYS  25   7.391   7.565 -15.926
  193   1HE   LYS  25          2HE       LYS  25   5.486   9.184 -16.176
  194   2HE   LYS  25          3HE       LYS  25   5.862   9.878 -14.590
  195   1HZ   LYS  25          1HZ       LYS  25   7.753  10.259 -15.224
  196   2HZ   LYS  25          2HZ       LYS  25   7.509  11.293 -15.935
  197   3HZ   LYS  25          3HZ       LYS  25   6.425  10.830 -16.359
  198    H    HIS  26           H        HIS  26   6.023   3.173 -13.108
  199    HA   HIS  26           HA       HIS  26   6.213   2.088 -10.441
  200   1HB   HIS  26          1HB       HIS  26   6.948   1.085 -13.218
  201   2HB   HIS  26          2HB       HIS  26   7.212   0.138 -11.761
  202    HD1  HIS  26           HD1      HIS  26   4.979  -0.537 -10.332
  203    HD2  HIS  26           HD2      HIS  26   4.360   1.285 -14.065
  204    HE1  HIS  26           HE1      HIS  26   2.519  -0.840 -10.861
  205    H    LYS  27           H        LYS  27   7.632   3.964  -9.754
  206    HA   LYS  27           HA       LYS  27  10.505   3.802 -10.371
  207   1HB   LYS  27          1HB       LYS  27   8.746   5.326  -8.405
  208   2HB   LYS  27          2HB       LYS  27  10.495   5.225  -8.153
  209   1HG   LYS  27          2HG       LYS  27  10.951   6.203 -10.313
  210   2HG   LYS  27          3HG       LYS  27   9.214   6.297 -10.694
  211   1HD   LYS  27          2HD       LYS  27   8.802   7.885  -8.958
  212   2HD   LYS  27          3HD       LYS  27  10.323   7.517  -8.133
  213   1HE   LYS  27          2HE       LYS  27  11.628   8.502  -9.993
  214   2HE   LYS  27          3HE       LYS  27  10.125   8.924 -10.835
  215   1HZ   LYS  27          2HZ       LYS  27  10.910   9.920  -8.162
  216   2HZ   LYS  27          3HZ       LYS  27  11.054  10.767  -9.566
  217   3HZ   LYS  27          1HZ       LYS  27   9.571  10.343  -8.989
  218    H    THR  28           H        THR  28   8.580   3.335  -7.390
  219    HA   THR  28           HA       THR  28  10.114   0.932  -6.675
  220    HB   THR  28           HB       THR  28  10.184   3.350  -4.822
  221    HG1  THR  28          1HG       THR  28  11.868   2.642  -6.949
  222   1HG2  THR  28          3HG2      THR  28  11.901   0.825  -4.964
  223   2HG2  THR  28          1HG2      THR  28  12.129   2.177  -3.839
  224   3HG2  THR  28          2HG2      THR  28  10.691   1.164  -3.712
  225    H    GLY  29           H        GLY  29   7.084   1.963  -7.158
  226   1HA   GLY  29          1HA       GLY  29   6.137   0.106  -5.264
  227   2HA   GLY  29          2HA       GLY  29   5.620   1.775  -4.922
  228    HA   PRO  30           HA       PRO  30   3.675   0.088  -8.867
  229   1HB   PRO  30          1HB       PRO  30   1.770  -1.793  -8.271
  230   2HB   PRO  30          2HB       PRO  30   3.505  -2.185  -8.495
  231   1HG   PRO  30          2HG       PRO  30   2.111  -1.543  -5.908
  232   2HG   PRO  30          3HG       PRO  30   3.116  -2.999  -6.263
  233   1HD   PRO  30          2HD       PRO  30   4.168  -0.949  -4.961
  234   2HD   PRO  30          3HD       PRO  30   5.069  -1.713  -6.280
  235    H    ASN  31           H        ASN  31   1.958   0.930  -9.760
  236    HA   ASN  31           HA       ASN  31   0.337   2.806  -8.428
  237   1HB   ASN  31          1HB       ASN  31   0.906   3.058 -10.781
  238   2HB   ASN  31          2HB       ASN  31   0.167   1.539 -11.188
  239   1HD2  ASN  31          2HD2      ASN  31  -2.365   3.681 -12.460
  240   2HD2  ASN  31          1HD2      ASN  31  -0.909   2.791 -12.865
  241    H    LEU  32           H        LEU  32  -1.170   2.425  -7.000
  242    HA   LEU  32           HA       LEU  32  -2.428  -0.163  -6.675
  243   1HB   LEU  32          1HB       LEU  32  -2.700   2.494  -5.228
  244   2HB   LEU  32          2HB       LEU  32  -3.387   0.979  -4.649
  245    HG   LEU  32           HG       LEU  32  -0.454   0.878  -5.223
  246   1HD1  LEU  32          3HD1      LEU  32  -1.549   2.521  -2.909
  247   2HD1  LEU  32          1HD1      LEU  32   0.142   2.018  -3.118
  248   3HD1  LEU  32          2HD1      LEU  32  -0.600   3.129  -4.282
  249   1HD2  LEU  32          1HD2      LEU  32  -1.671  -1.015  -4.232
  250   2HD2  LEU  32          3HD2      LEU  32  -0.426  -0.388  -3.138
  251   3HD2  LEU  32          2HD2      LEU  32  -2.133   0.007  -2.847
  252    H    HIS  33           H        HIS  33  -3.399   0.409  -9.071
  253    HA   HIS  33           HA       HIS  33  -5.776   2.075  -8.952
  254   1HB   HIS  33          1HB       HIS  33  -6.024   1.759 -11.192
  255   2HB   HIS  33          2HB       HIS  33  -4.280   1.741 -10.961
  256    HD1  HIS  33           HD1      HIS  33  -5.720   0.519 -13.511
  257    HD2  HIS  33           HD2      HIS  33  -4.621  -1.649 -10.078
  258    HE1  HIS  33           HE1      HIS  33  -5.599  -1.934 -14.202
  259    H    GLY  34           H        GLY  34  -5.485  -0.762  -7.440
  260   1HA   GLY  34          1HA       GLY  34  -8.315  -1.464  -7.467
  261   2HA   GLY  34          2HA       GLY  34  -7.308  -2.582  -8.387
  262    H    LEU  35           H        LEU  35  -8.144  -1.464  -5.170
  263    HA   LEU  35           HA       LEU  35  -6.366  -3.574  -3.991
  264   1HB   LEU  35          1HB       LEU  35  -6.516  -0.766  -3.366
  265   2HB   LEU  35          2HB       LEU  35  -7.302  -1.584  -2.070
  266    HG   LEU  35           HG       LEU  35  -5.347  -2.988  -1.677
  267   1HD1  LEU  35          2HD1      LEU  35  -4.113  -1.464  -4.012
  268   2HD1  LEU  35          3HD1      LEU  35  -3.171  -2.376  -2.808
  269   3HD1  LEU  35          1HD1      LEU  35  -4.277  -3.226  -3.872
  270   1HD2  LEU  35          1HD2      LEU  35  -5.595  -0.706  -0.640
  271   2HD2  LEU  35          2HD2      LEU  35  -3.906  -1.240  -0.799
  272   3HD2  LEU  35          3HD2      LEU  35  -4.581  -0.050  -1.935
  273    H    PHE  36           H        PHE  36  -7.993  -3.321  -1.465
  274    HA   PHE  36           HA       PHE  36  -9.833  -4.301  -0.555
  275   1HB   PHE  36          1HB       PHE  36 -10.995  -2.350  -2.561
  276   2HB   PHE  36          2HB       PHE  36 -11.676  -2.792  -1.012
  277    HD1  PHE  36           HD2      PHE  36 -10.065  -2.406   1.109
  278    HD2  PHE  36           HD1      PHE  36  -9.848  -0.290  -2.640
  279    HE1  PHE  36           HE2      PHE  36  -8.619  -0.687   2.160
  280    HE2  PHE  36           HE1      PHE  36  -8.406   1.406  -1.596
  281    HZ   PHE  36           HZ       PHE  36  -7.872   1.286   0.830
  282    H    GLY  37           H        GLY  37  -9.284  -6.399  -1.860
  283   1HA   GLY  37          1HA       GLY  37 -11.048  -8.147  -2.512
  284   2HA   GLY  37          2HA       GLY  37 -11.494  -7.035  -3.812
  285    H    ARG  38           H        ARG  38  -8.939  -6.036  -4.535
  286    HA   ARG  38           HA       ARG  38  -7.846  -8.272  -6.057
  287   1HB   ARG  38          1HB       ARG  38  -6.964  -5.418  -5.553
  288   2HB   ARG  38          2HB       ARG  38  -5.896  -6.566  -6.343
  289   1HG   ARG  38          2HG       ARG  38  -8.334  -6.943  -7.703
  290   2HG   ARG  38          3HG       ARG  38  -8.287  -5.202  -7.423
  291   1HD   ARG  38          2HD       ARG  38  -6.191  -4.989  -8.527
  292   2HD   ARG  38          3HD       ARG  38  -5.895  -6.734  -8.552
  293    HE   ARG  38           HE       ARG  38  -8.045  -6.856  -9.968
  294   1HH1  ARG  38          2HH2      ARG  38  -5.543  -4.398 -10.254
  295   2HH1  ARG  38          1HH2      ARG  38  -5.812  -4.003 -11.896
  296   1HH2  ARG  38          2HH1      ARG  38  -8.254  -6.679 -12.244
  297   2HH2  ARG  38          1HH1      ARG  38  -7.296  -5.536 -13.128
  298    H    LYS  39           H        LYS  39  -5.595  -8.944  -5.906
  299    HA   LYS  39           HA       LYS  39  -5.336 -10.144  -3.297
  300   1HB   LYS  39          1HB       LYS  39  -3.703 -10.469  -5.834
  301   2HB   LYS  39          2HB       LYS  39  -3.607 -11.522  -4.414
  302   1HG   LYS  39          2HG       LYS  39  -5.915 -12.244  -4.693
  303   2HG   LYS  39          3HG       LYS  39  -6.167 -11.109  -6.028
  304   1HD   LYS  39          2HD       LYS  39  -4.340 -12.237  -7.311
  305   2HD   LYS  39          3HD       LYS  39  -4.228 -13.455  -6.023
  306   1HE   LYS  39          2HE       LYS  39  -6.598 -14.096  -6.407
  307   2HE   LYS  39          3HE       LYS  39  -6.768 -12.819  -7.622
  308   1HZ   LYS  39          1HZ       LYS  39  -5.130 -13.952  -8.966
  309   2HZ   LYS  39          2HZ       LYS  39  -4.988 -15.153  -7.850
  310   3HZ   LYS  39          3HZ       LYS  39  -6.410 -14.932  -8.644
  311    H    THR  40           H        THR  40  -3.087 -10.408  -2.307
  312    HA   THR  40           HA       THR  40  -1.428  -8.118  -2.035
  313    HB   THR  40           HB       THR  40   0.096 -10.010  -1.078
  314    HG1  THR  40          1HG       THR  40  -0.771 -11.804  -2.039
  315   1HG2  THR  40          3HG2      THR  40  -2.684  -9.475  -0.025
  316   2HG2  THR  40          1HG2      THR  40  -1.431 -10.449   0.799
  317   3HG2  THR  40          2HG2      THR  40  -1.150  -8.719   0.456
  318    H    GLY  41           H        GLY  41   0.892 -10.436  -2.825
  319   1HA   GLY  41          1HA       GLY  41   1.959  -8.971  -4.919
  320   2HA   GLY  41          2HA       GLY  41   2.274 -10.684  -4.591
  321    H    GLN  42           H        GLN  42   1.582  -8.850  -6.978
  322    HA   GLN  42           HA       GLN  42   1.070 -10.156  -9.157
  323   1HB   GLN  42          1HB       GLN  42  -1.593 -10.179  -7.699
  324   2HB   GLN  42          2HB       GLN  42  -1.509 -10.204  -9.451
  325   1HG   GLN  42          2HG       GLN  42   0.172 -12.291  -8.122
  326   2HG   GLN  42          3HG       GLN  42  -1.582 -12.449  -7.985
  327   1HE2  GLN  42          2HE2      GLN  42   0.281 -13.118 -11.558
  328   2HE2  GLN  42          1HE2      GLN  42   1.177 -12.470 -10.197
  329    H    ALA  43           H        ALA  43   2.145  -7.845  -8.634
  330    HA   ALA  43           HA       ALA  43   0.344  -5.595  -8.904
  331   1HB   ALA  43          1HB       ALA  43   3.363  -5.829  -9.043
  332   2HB   ALA  43          2HB       ALA  43   2.464  -4.298  -8.996
  333   3HB   ALA  43          1HB       ALA  43   2.404  -5.403  -7.608
  334    HA   PRO  44           HA       PRO  44   0.281  -5.765 -13.371
  335   1HB   PRO  44          1HB       PRO  44  -0.605  -3.276 -14.031
  336   2HB   PRO  44          2HB       PRO  44  -1.629  -4.469 -13.183
  337   1HG   PRO  44          2HG       PRO  44  -0.039  -2.201 -11.949
  338   2HG   PRO  44          3HG       PRO  44  -1.753  -2.612 -11.668
  339   1HD   PRO  44          2HD       PRO  44   0.234  -3.447  -9.992
  340   2HD   PRO  44          3HD       PRO  44  -1.174  -4.493 -10.351
  341    H    GLY  45           H        GLY  45   2.443  -6.041 -14.002
  342   1HA   GLY  45          1HA       GLY  45   4.372  -5.440 -15.115
  343   2HA   GLY  45          2HA       GLY  45   3.614  -3.872 -15.440
  344    H    PHE  46           H        PHE  46   4.942  -5.684 -12.616
  345    HA   PHE  46           HA       PHE  46   6.763  -3.504 -11.932
  346   1HB   PHE  46          1HB       PHE  46   4.613  -2.849 -10.874
  347   2HB   PHE  46          2HB       PHE  46   4.503  -4.432 -10.149
  348    HD1  PHE  46           HD1      PHE  46   6.806  -1.498 -10.278
  349    HD2  PHE  46           HD2      PHE  46   5.420  -4.821  -7.956
  350    HE1  PHE  46           HE1      PHE  46   8.095  -0.653  -8.337
  351    HE2  PHE  46           HE2      PHE  46   6.901  -4.131  -6.109
  352    HZ   PHE  46           HZ       PHE  46   8.226  -2.038  -6.277
  353    H    THR  47           H        THR  47   7.936  -4.247  -9.878
  354    HA   THR  47           HA       THR  47   8.590  -7.145 -10.101
  355    HB   THR  47           HB       THR  47  10.621  -4.878 -10.109
  356    HG1  THR  47          1HG       THR  47  10.832  -5.478 -12.326
  357   1HG2  THR  47          1HG2      THR  47  10.859  -7.872 -10.694
  358   2HG2  THR  47          2HG2      THR  47  12.174  -6.685 -10.811
  359   3HG2  THR  47          3HG2      THR  47  11.460  -7.060  -9.233
  360    H    TYR  48           H        TYR  48   7.308  -7.216  -8.182
  361    HA   TYR  48           HA       TYR  48   8.245  -5.955  -5.723
  362   1HB   TYR  48          1HB       TYR  48   6.590  -7.650  -4.705
  363   2HB   TYR  48          2HB       TYR  48   5.933  -6.391  -5.734
  364    HD1  TYR  48           HD1      TYR  48   7.067  -9.993  -5.876
  365    HD2  TYR  48           HD2      TYR  48   4.590  -6.924  -7.577
  366    HE1  TYR  48           HE1      TYR  48   6.375 -11.545  -7.669
  367    HE2  TYR  48           HE2      TYR  48   4.013  -8.433  -9.461
  368    HH   TYR  48           HH       TYR  48   4.405 -10.488 -10.434
  369    H    THR  49           H        THR  49   8.935  -7.376  -3.838
  370    HA   THR  49           HA       THR  49  10.918  -9.375  -4.724
  371    HB   THR  49           HB       THR  49  11.526  -9.594  -2.419
  372    HG1  THR  49          1HG       THR  49   9.227  -8.031  -1.861
  373   1HG2  THR  49          1HG2      THR  49  12.428  -7.611  -3.553
  374   2HG2  THR  49          2HG2      THR  49  11.033  -6.655  -3.022
  375   3HG2  THR  49          3HG2      THR  49  12.160  -7.312  -1.821
  376    H    ASP  50           H        ASP  50  10.886 -11.615  -4.097
  377    HA   ASP  50           HA       ASP  50   8.512 -12.921  -4.256
  378   1HB   ASP  50          1HB       ASP  50  11.136 -13.823  -3.055
  379   2HB   ASP  50          2HB       ASP  50   9.748 -14.901  -3.265
  380    H    ALA  51           H        ALA  51   9.686 -11.257  -1.402
  381    HA   ALA  51           HA       ALA  51   8.284 -12.771   0.582
  382   1HB   ALA  51          2HB       ALA  51   9.994 -11.127   1.142
  383   2HB   ALA  51          1HB       ALA  51   8.958  -9.807   0.538
  384   3HB   ALA  51          1HB       ALA  51   8.461 -10.753   1.954
  385    H    ASN  52           H        ASN  52   7.292  -9.848  -1.349
  386    HA   ASN  52           HA       ASN  52   4.614  -9.946  -0.258
  387   1HB   ASN  52          1HB       ASN  52   5.540  -7.868  -1.218
  388   2HB   ASN  52          2HB       ASN  52   5.550  -8.614  -2.824
  389   1HD2  ASN  52          2HD2      ASN  52   2.288  -7.085  -3.107
  390   2HD2  ASN  52          1HD2      ASN  52   3.958  -7.033  -3.660
  391    H    LYS  53           H        LYS  53   6.159 -11.176  -3.231
  392    HA   LYS  53           HA       LYS  53   4.030 -12.278  -4.636
  393   1HB   LYS  53          1HB       LYS  53   6.506 -12.244  -5.151
  394   2HB   LYS  53          2HB       LYS  53   6.602 -13.646  -4.056
  395   1HG   LYS  53          2HG       LYS  53   5.208 -14.977  -5.569
  396   2HG   LYS  53          3HG       LYS  53   5.176 -13.615  -6.723
  397   1HD   LYS  53          2HD       LYS  53   7.662 -13.575  -6.760
  398   2HD   LYS  53          3HD       LYS  53   7.706 -14.823  -5.508
  399   1HE   LYS  53          2HE       LYS  53   6.793 -16.486  -7.017
  400   2HE   LYS  53          3HE       LYS  53   6.726 -15.298  -8.338
  401   1HZ   LYS  53          2HZ       LYS  53   9.208 -15.918  -6.853
  402   2HZ   LYS  53          3HZ       LYS  53   8.793 -16.720  -8.243
  403   3HZ   LYS  53          1HZ       LYS  53   9.091 -15.094  -8.232
  404    H    ASN  54           H        ASN  54   5.801 -13.758  -1.870
  405    HA   ASN  54           HA       ASN  54   4.366 -16.226  -1.785
  406   1HB   ASN  54          1HB       ASN  54   6.070 -14.677   0.179
  407   2HB   ASN  54          2HB       ASN  54   5.039 -15.965   0.789
  408   1HD2  ASN  54          2HD2      ASN  54   8.290 -16.995  -1.479
  409   2HD2  ASN  54          1HD2      ASN  54   7.711 -15.332  -1.493
  410    H    LYS  55           H        LYS  55   3.526 -12.994  -0.591
  411    HA   LYS  55           HA       LYS  55   1.363 -14.007   1.089
  412   1HB   LYS  55          1HB       LYS  55   2.815 -11.797   1.340
  413   2HB   LYS  55          2HB       LYS  55   1.674 -11.159   0.170
  414   1HG   LYS  55          2HG       LYS  55   0.672 -10.547   2.109
  415   2HG   LYS  55          3HG       LYS  55  -0.167 -12.073   1.861
  416   1HD   LYS  55          2HD       LYS  55   2.368 -11.849   3.565
  417   2HD   LYS  55          3HD       LYS  55   0.784 -11.407   4.194
  418   1HE   LYS  55          2HE       LYS  55  -0.065 -13.713   3.673
  419   2HE   LYS  55          3HE       LYS  55   1.592 -14.183   3.233
  420   1HZ   LYS  55          3HZ       LYS  55   0.763 -13.182   5.866
  421   2HZ   LYS  55          1HZ       LYS  55   1.078 -14.750   5.482
  422   3HZ   LYS  55          2HZ       LYS  55   2.287 -13.637   5.443
  423    H    GLY  56           H        GLY  56  -0.720 -14.262   0.433
  424   1HA   GLY  56          1HA       GLY  56  -1.465 -13.829  -2.421
  425   2HA   GLY  56          2HA       GLY  56  -1.202 -15.482  -1.848
  426    H    ILE  57           H        ILE  57  -2.740 -12.488  -0.659
  427    HA   ILE  57           HA       ILE  57  -5.308 -13.910  -0.195
  428    HB   ILE  57           HB       ILE  57  -5.554 -12.765   1.994
  429   1HG1  ILE  57          2HG1      ILE  57  -2.577 -12.359   2.207
  430   2HG1  ILE  57          3HG1      ILE  57  -3.509 -11.154   1.308
  431   1HG2  ILE  57          1HG2      ILE  57  -4.888 -15.133   1.917
  432   2HG2  ILE  57          2HG2      ILE  57  -3.175 -14.668   1.915
  433   3HG2  ILE  57          3HG2      ILE  57  -4.193 -14.301   3.319
  434   1HD1  ILE  57          1HD1      ILE  57  -4.153 -11.951   4.147
  435   2HD1  ILE  57          2HD1      ILE  57  -3.269 -10.499   3.607
  436   3HD1  ILE  57          3HD1      ILE  57  -4.965 -10.714   3.145
  437    H    THR  58           H        THR  58  -6.888 -11.933   0.571
  438    HA   THR  58           HA       THR  58  -6.805 -10.041  -1.666
  439    HB   THR  58           HB       THR  58  -8.921 -10.992  -1.011
  440    HG1  THR  58          1HG       THR  58  -8.690  -8.201  -0.547
  441   1HG2  THR  58          1HG2      THR  58  -8.625 -11.278   1.443
  442   2HG2  THR  58          2HG2      THR  58  -8.685  -9.515   1.647
  443   3HG2  THR  58          3HG2      THR  58 -10.094 -10.387   1.027
  444    H    TRP  59           H        TRP  59  -6.034  -7.946  -1.518
  445    HA   TRP  59           HA       TRP  59  -5.246  -6.839   1.099
  446   1HB   TRP  59          1HB       TRP  59  -5.418  -5.695  -1.702
  447   2HB   TRP  59          2HB       TRP  59  -5.349  -4.662  -0.266
  448    HD1  TRP  59           HD1      TRP  59  -3.055  -5.731  -2.712
  449    HE1  TRP  59           HE1      TRP  59  -0.666  -5.976  -1.887
  450    HE3  TRP  59           HE3      TRP  59  -3.947  -5.378   2.317
  451    HZ2  TRP  59           HZ2      TRP  59   0.713  -5.949   0.689
  452    HZ3  TRP  59           HZ3      TRP  59  -2.070  -5.425   3.926
  453    HH2  TRP  59           HH2      TRP  59   0.255  -5.773   3.126
  454    H    LYS  60           H        LYS  60  -6.493  -5.391   2.227
  455    HA   LYS  60           HA       LYS  60  -9.091  -4.490   1.477
  456   1HB   LYS  60          1HB       LYS  60  -8.787  -7.191   2.642
  457   2HB   LYS  60          2HB       LYS  60  -9.575  -6.093   3.751
  458   1HG   LYS  60          2HG       LYS  60 -11.161  -5.456   1.826
  459   2HG   LYS  60          3HG       LYS  60 -10.505  -6.894   0.976
  460   1HD   LYS  60          2HD       LYS  60 -10.934  -8.191   3.141
  461   2HD   LYS  60          3HD       LYS  60 -11.668  -6.696   3.766
  462   1HE   LYS  60          2HE       LYS  60 -13.507  -6.840   2.238
  463   2HE   LYS  60          3HE       LYS  60 -12.847  -8.321   1.508
  464   1HZ   LYS  60          3HZ       LYS  60 -13.202  -8.147   4.426
  465   2HZ   LYS  60          1HZ       LYS  60 -14.501  -8.570   3.455
  466   3HZ   LYS  60          2HZ       LYS  60 -13.112  -9.462   3.509
  467    H    GLU  61           H        GLU  61 -10.000  -3.272   3.335
  468    HA   GLU  61           HA       GLU  61  -8.055  -1.653   4.498
  469   1HB   GLU  61          1HB       GLU  61  -9.937  -0.669   5.775
  470   2HB   GLU  61          2HB       GLU  61 -10.188  -0.823   4.039
  471   1HG   GLU  61          3HG       GLU  61 -11.466  -3.064   4.708
  472   2HG   GLU  61          2HG       GLU  61 -11.542  -2.282   6.290
  473    H    GLU  62           H        GLU  62  -9.882  -4.297   5.934
  474    HA   GLU  62           HA       GLU  62  -8.889  -4.400   8.511
  475   1HB   GLU  62          1HB       GLU  62  -9.154  -6.983   8.222
  476   2HB   GLU  62          2HB       GLU  62 -10.548  -5.917   8.170
  477   1HG   GLU  62          2HG       GLU  62 -10.638  -6.063   5.702
  478   2HG   GLU  62          3HG       GLU  62  -9.224  -7.153   5.738
  479    H    THR  63           H        THR  63  -7.254  -5.966   5.692
  480    HA   THR  63           HA       THR  63  -4.904  -6.731   7.189
  481    HB   THR  63           HB       THR  63  -5.057  -6.239   4.193
  482    HG1  THR  63          1HG       THR  63  -6.481  -8.243   5.582
  483   1HG2  THR  63          2HG2      THR  63  -3.024  -7.337   5.178
  484   2HG2  THR  63          3HG2      THR  63  -4.060  -8.667   5.744
  485   3HG2  THR  63          1HG2      THR  63  -3.900  -8.342   4.003
  486    H    LEU  64           H        LEU  64  -5.747  -3.866   5.168
  487    HA   LEU  64           HA       LEU  64  -3.128  -2.836   5.054
  488   1HB   LEU  64          1HB       LEU  64  -5.875  -1.795   4.600
  489   2HB   LEU  64          2HB       LEU  64  -4.535  -0.635   4.683
  490    HG   LEU  64           HG       LEU  64  -4.126  -3.069   2.973
  491   1HD1  LEU  64          3HD1      LEU  64  -6.447  -2.381   2.380
  492   2HD1  LEU  64          1HD1      LEU  64  -5.845  -0.760   1.994
  493   3HD1  LEU  64          2HD1      LEU  64  -5.285  -2.184   1.076
  494   1HD2  LEU  64          3HD2      LEU  64  -2.388  -1.286   3.248
  495   2HD2  LEU  64          1HD2      LEU  64  -2.943  -1.434   1.567
  496   3HD2  LEU  64          2HD2      LEU  64  -3.526  -0.099   2.576
  497    H    MET  65           H        MET  65  -5.751  -2.346   7.620
  498    HA   MET  65           HA       MET  65  -4.368  -0.320   8.867
  499   1HB   MET  65          1HB       MET  65  -5.643  -0.668  10.716
  500   2HB   MET  65          2HB       MET  65  -6.680  -0.987   9.327
  501   1HG   MET  65          2HG       MET  65  -7.148  -3.074   9.960
  502   2HG   MET  65          3HG       MET  65  -5.562  -3.406  10.658
  503   1HE   MET  65          3HE       MET  65  -6.748  -4.792  12.522
  504   2HE   MET  65          1HE       MET  65  -7.997  -4.138  13.605
  505   3HE   MET  65          2HE       MET  65  -8.355  -4.379  11.875
  506    H    GLU  66           H        GLU  66  -3.948  -3.771   9.430
  507    HA   GLU  66           HA       GLU  66  -1.858  -3.760  11.335
  508   1HB   GLU  66          1HB       GLU  66  -2.813  -5.541   9.052
  509   2HB   GLU  66          2HB       GLU  66  -1.448  -6.036   9.991
  510   1HG   GLU  66          2HG       GLU  66  -3.871  -5.096  11.520
  511   2HG   GLU  66          3HG       GLU  66  -4.032  -6.609  10.623
  512    H    TYR  67           H        TYR  67  -1.756  -3.830   7.768
  513    HA   TYR  67           HA       TYR  67   1.047  -3.830   7.558
  514   1HB   TYR  67          1HB       TYR  67  -0.619  -4.562   5.860
  515   2HB   TYR  67          2HB       TYR  67  -1.012  -2.867   5.565
  516    HD1  TYR  67           HD1      TYR  67   1.944  -5.200   5.618
  517    HD2  TYR  67           HD2      TYR  67   0.053  -1.775   3.797
  518    HE1  TYR  67           HE1      TYR  67   3.714  -5.139   3.876
  519    HE2  TYR  67           HE2      TYR  67   1.797  -1.749   2.049
  520    HH   TYR  67           HH       TYR  67   3.916  -2.445   1.619
  521    H    LEU  68           H        LEU  68  -1.152  -1.007   7.824
  522    HA   LEU  68           HA       LEU  68   0.910   0.909   7.071
  523   1HB   LEU  68          1HB       LEU  68  -1.912   1.213   8.169
  524   2HB   LEU  68          2HB       LEU  68  -0.881   2.522   7.587
  525    HG   LEU  68           HG       LEU  68  -1.922   0.223   5.855
  526   1HD1  LEU  68          3HD1      LEU  68  -3.683   1.774   6.619
  527   2HD1  LEU  68          1HD1      LEU  68  -2.725   3.147   6.036
  528   3HD1  LEU  68          2HD1      LEU  68  -3.372   1.950   4.882
  529   1HD2  LEU  68          2HD2      LEU  68  -0.383   2.676   5.076
  530   2HD2  LEU  68          3HD2      LEU  68   0.223   0.977   4.976
  531   3HD2  LEU  68          1HD2      LEU  68  -1.159   1.480   3.987
  532    H    GLU  69           H        GLU  69  -0.848  -0.137  10.064
  533    HA   GLU  69           HA       GLU  69   0.459   1.591  11.845
  534   1HB   GLU  69          1HB       GLU  69  -1.350   0.181  12.603
  535   2HB   GLU  69          2HB       GLU  69  -0.433  -1.302  12.277
  536   1HG   GLU  69          2HG       GLU  69   1.193  -0.754  14.015
  537   2HG   GLU  69          3HG       GLU  69   0.491   0.859  14.226
  538    H    ASN  70           H        ASN  70   1.503  -1.673  10.653
  539    HA   ASN  70           HA       ASN  70   4.266  -0.719  10.720
  540   1HB   ASN  70          1HB       ASN  70   3.741  -1.321  13.113
  541   2HB   ASN  70          2HB       ASN  70   3.534  -2.992  12.602
  542   1HD2  ASN  70          2HD2      ASN  70   7.052  -2.388  13.808
  543   2HD2  ASN  70          1HD2      ASN  70   5.447  -2.209  14.490
  544    HA   PRO  71           HA       PRO  71   3.416  -3.912   7.515
  545   1HB   PRO  71          1HB       PRO  71   5.349  -3.207   5.694
  546   2HB   PRO  71          2HB       PRO  71   3.768  -2.394   5.817
  547   1HG   PRO  71          2HG       PRO  71   6.405  -1.517   6.938
  548   2HG   PRO  71          3HG       PRO  71   5.104  -0.522   6.137
  549   1HD   PRO  71          2HD       PRO  71   5.479  -0.656   8.859
  550   2HD   PRO  71          3HD       PRO  71   3.892  -0.346   8.114
  551    H    LYS  72           H        LYS  72   6.418  -3.149   9.190
  552    HA   LYS  72           HA       LYS  72   7.847  -5.423   8.408
  553   1HB   LYS  72          1HB       LYS  72   7.848  -4.031  11.103
  554   2HB   LYS  72          2HB       LYS  72   9.069  -5.170  10.568
  555   1HG   LYS  72          2HG       LYS  72  10.017  -3.729   9.023
  556   2HG   LYS  72          3HG       LYS  72   8.579  -2.708   8.866
  557   1HD   LYS  72          2HD       LYS  72   8.837  -1.742  11.004
  558   2HD   LYS  72          3HD       LYS  72  10.041  -2.949  11.512
  559   1HE   LYS  72          2HE       LYS  72  11.694  -2.072   9.932
  560   2HE   LYS  72          3HE       LYS  72  10.519  -0.955   9.234
  561   1HZ   LYS  72          1HZ       LYS  72  10.839  -0.126  12.037
  562   2HZ   LYS  72          3HZ       LYS  72  11.451  -1.208  11.734
  563   3HZ   LYS  72          2HZ       LYS  72  10.346   0.003  10.887
  564    H    LYS  73           H        LYS  73   5.116  -4.999  10.599
  565    HA   LYS  73           HA       LYS  73   5.483  -7.450  12.094
  566   1HB   LYS  73          1HB       LYS  73   4.309  -5.300  12.807
  567   2HB   LYS  73          2HB       LYS  73   3.008  -5.757  11.704
  568   1HG   LYS  73          2HG       LYS  73   3.190  -8.034  13.263
  569   2HG   LYS  73          3HG       LYS  73   3.725  -6.797  14.406
  570   1HD   LYS  73          2HD       LYS  73   1.680  -5.450  13.870
  571   2HD   LYS  73          3HD       LYS  73   1.186  -6.686  12.700
  572   1HE   LYS  73          2HE       LYS  73   1.032  -8.369  14.517
  573   2HE   LYS  73          3HE       LYS  73   1.447  -7.119  15.709
  574   1HZ   LYS  73          2HZ       LYS  73  -0.877  -7.007  13.879
  575   2HZ   LYS  73          1HZ       LYS  73  -0.979  -7.475  15.451
  576   3HZ   LYS  73          3HZ       LYS  73  -0.553  -5.932  15.032
  577    H    TYR  74           H        TYR  74   4.553  -6.906   8.824
  578    HA   TYR  74           HA       TYR  74   2.974  -9.443   8.812
  579   1HB   TYR  74          1HB       TYR  74   1.569  -7.316   8.745
  580   2HB   TYR  74          2HB       TYR  74   2.272  -7.004   7.161
  581    HD1  TYR  74           HD1      TYR  74   0.703  -9.863   9.078
  582    HD2  TYR  74           HD2      TYR  74   0.799  -7.638   5.382
  583    HE1  TYR  74           HE1      TYR  74  -0.943 -11.418   8.103
  584    HE2  TYR  74           HE2      TYR  74  -0.850  -9.206   4.405
  585    HH   TYR  74           HH       TYR  74  -2.319 -11.849   6.234
  586    H    ILE  75           H        ILE  75   4.841  -7.158   6.742
  587    HA   ILE  75           HA       ILE  75   5.987  -9.522   5.378
  588    HB   ILE  75           HB       ILE  75   5.048  -7.210   3.676
  589   1HG1  ILE  75          2HG1      ILE  75   3.440  -9.731   4.217
  590   2HG1  ILE  75          3HG1      ILE  75   3.004  -8.073   4.677
  591   1HG2  ILE  75          1HG2      ILE  75   6.853  -8.902   2.969
  592   2HG2  ILE  75          2HG2      ILE  75   5.585 -10.134   2.997
  593   3HG2  ILE  75          3HG2      ILE  75   5.473  -8.757   1.880
  594   1HD1  ILE  75          2HD1      ILE  75   3.048  -7.418   2.259
  595   2HD1  ILE  75          3HD1      ILE  75   3.207  -9.144   1.852
  596   3HD1  ILE  75          1HD1      ILE  75   1.776  -8.561   2.718
  597    HA   PRO  76           HA       PRO  76   8.898  -6.169   6.559
  598   1HB   PRO  76          1HB       PRO  76  10.704  -7.523   8.056
  599   2HB   PRO  76          2HB       PRO  76   9.075  -7.063   8.632
  600   1HG   PRO  76          2HG       PRO  76   9.949  -9.754   7.523
  601   2HG   PRO  76          3HG       PRO  76   9.047  -9.440   9.033
  602   1HD   PRO  76          2HD       PRO  76   7.805 -10.112   6.674
  603   2HD   PRO  76          3HD       PRO  76   7.053  -9.018   7.869
  604    H    GLY  77           H        GLY  77   9.840  -9.371   5.216
  605   1HA   GLY  77          1HA       GLY  77  12.402  -8.397   4.222
  606   2HA   GLY  77          2HA       GLY  77  11.621  -9.942   3.862
  607    H    THR  78           H        THR  78  10.469  -6.591   3.338
  608    HA   THR  78           HA       THR  78  10.014  -7.146   0.455
  609    HB   THR  78           HB       THR  78   8.093  -7.034   2.559
  610    HG1  THR  78          1HG       THR  78   7.766  -7.043  -0.248
  611   1HG2  THR  78          3HG2      THR  78   8.079  -4.628   2.580
  612   2HG2  THR  78          1HG2      THR  78   7.742  -4.588   0.834
  613   3HG2  THR  78          2HG2      THR  78   6.562  -5.283   1.951
  614    H    LYS  79           H        LYS  79  10.237  -5.292  -0.824
  615    HA   LYS  79           HA       LYS  79  12.433  -3.763   0.037
  616   1HB   LYS  79          1HB       LYS  79  11.682  -4.562  -2.287
  617   2HB   LYS  79          2HB       LYS  79  10.644  -3.143  -2.310
  618   1HG   LYS  79          2HG       LYS  79  12.787  -1.759  -1.964
  619   2HG   LYS  79          3HG       LYS  79  13.672  -3.281  -2.204
  620   1HD   LYS  79          2HD       LYS  79  12.260  -3.548  -4.373
  621   2HD   LYS  79          3HD       LYS  79  11.796  -1.851  -4.141
  622   1HE   LYS  79          3HE       LYS  79  14.244  -1.230  -4.191
  623   2HE   LYS  79          2HE       LYS  79  14.639  -2.937  -4.469
  624   1HZ   LYS  79          1HZ       LYS  79  13.352  -2.821  -6.514
  625   2HZ   LYS  79          2HZ       LYS  79  13.078  -1.215  -6.279
  626   3HZ   LYS  79          3HZ       LYS  79  14.608  -1.761  -6.521
  627    H    MET  80           H        MET  80   9.104  -3.132   0.543
  628    HA   MET  80           HA       MET  80   9.029  -0.282   0.519
  629   1HB   MET  80          1HB       MET  80   7.094  -1.745   0.259
  630   2HB   MET  80          2HB       MET  80   7.306  -2.402   1.872
  631   1HG   MET  80          2HG       MET  80   6.565  -0.542   2.935
  632   2HG   MET  80          3HG       MET  80   6.974   0.575   1.624
  633   1HE   MET  80          2HE       MET  80   4.262  -0.270   3.651
  634   2HE   MET  80          3HE       MET  80   4.309   1.333   2.879
  635   3HE   MET  80          1HE       MET  80   2.926   0.258   2.608
  636    H    ILE  81           H        ILE  81  11.123   0.133   1.729
  637    HA   ILE  81           HA       ILE  81  11.155  -0.193   4.583
  638    HB   ILE  81           HB       ILE  81  12.948   1.419   4.518
  639   1HG1  ILE  81          2HG1      ILE  81  11.898   2.597   2.304
  640   2HG1  ILE  81          3HG1      ILE  81  13.538   2.810   2.905
  641   1HG2  ILE  81          1HG2      ILE  81  13.385  -0.936   4.215
  642   2HG2  ILE  81          2HG2      ILE  81  13.249  -0.778   2.457
  643   3HG2  ILE  81          3HG2      ILE  81  14.561   0.046   3.335
  644   1HD1  ILE  81          3HD1      ILE  81  12.740   0.886   0.694
  645   2HD1  ILE  81          1HD1      ILE  81  13.494   2.470   0.497
  646   3HD1  ILE  81          2HD1      ILE  81  14.393   1.172   1.290
  647    H    PHE  82           H        PHE  82   8.670   0.548   4.413
  648    HA   PHE  82           HA       PHE  82   8.365   3.476   4.661
  649   1HB   PHE  82          1HB       PHE  82   6.700   2.198   3.421
  650   2HB   PHE  82          2HB       PHE  82   6.377   1.195   4.839
  651    HD1  PHE  82           HD2      PHE  82   6.500   4.840   3.843
  652    HD2  PHE  82           HD1      PHE  82   4.504   1.793   6.168
  653    HE1  PHE  82           HE2      PHE  82   4.757   6.470   4.492
  654    HE2  PHE  82           HE1      PHE  82   2.765   3.419   6.804
  655    HZ   PHE  82           HZ       PHE  82   2.843   5.732   5.905
  656    H    ALA  83           H        ALA  83   8.197   4.534   6.584
  657    HA   ALA  83           HA       ALA  83   9.217   3.122   8.886
  658   1HB   ALA  83          1HB       ALA  83   8.421   6.039   8.531
  659   2HB   ALA  83          2HB       ALA  83   9.293   5.353   9.919
  660   3HB   ALA  83          1HB       ALA  83  10.036   5.333   8.309
  661    H    GLY  84           H        GLY  84   6.282   5.284   8.647
  662   1HA   GLY  84          1HA       GLY  84   4.487   3.567   9.951
  663   2HA   GLY  84          2HA       GLY  84   5.346   4.495  11.202
  664    H    ILE  85           H        ILE  85   2.706   4.836  11.004
  665    HA   ILE  85           HA       ILE  85   2.248   7.524   9.849
  666    HB   ILE  85           HB       ILE  85   1.431   4.878   8.930
  667   1HG1  ILE  85          2HG1      ILE  85   0.796   7.657   7.877
  668   2HG1  ILE  85          3HG1      ILE  85   2.212   6.709   7.565
  669   1HG2  ILE  85          1HG2      ILE  85  -0.469   5.215  10.455
  670   2HG2  ILE  85          2HG2      ILE  85  -0.903   6.626   9.416
  671   3HG2  ILE  85          3HG2      ILE  85  -0.862   4.965   8.759
  672   1HD1  ILE  85          2HD1      ILE  85   0.661   4.966   6.501
  673   2HD1  ILE  85          3HD1      ILE  85  -0.714   6.037   6.863
  674   3HD1  ILE  85          1HD1      ILE  85   0.528   6.589   5.763
  675    H    LYS  86           H        LYS  86  -0.280   8.037  10.681
  676    HA   LYS  86           HA       LYS  86   0.096   9.013  13.169
  677   1HB   LYS  86          1HB       LYS  86  -2.704   8.238  12.171
  678   2HB   LYS  86          2HB       LYS  86  -2.303   9.314  13.464
  679   1HG   LYS  86          2HG       LYS  86  -0.955  10.731  11.905
  680   2HG   LYS  86          3HG       LYS  86  -1.537   9.770  10.542
  681   1HD   LYS  86          2HD       LYS  86  -3.395  11.216  12.491
  682   2HD   LYS  86          3HD       LYS  86  -2.692  11.994  11.070
  683   1HE   LYS  86          2HE       LYS  86  -3.740  10.222   9.605
  684   2HE   LYS  86          3HE       LYS  86  -4.564   9.578  11.027
  685   1HZ   LYS  86          1HZ       LYS  86  -4.890  12.298   9.921
  686   2HZ   LYS  86          2HZ       LYS  86  -5.960  11.079   9.794
  687   3HZ   LYS  86          3HZ       LYS  86  -5.672  11.720  11.253
  688    H    LYS  87           H        LYS  87  -2.266   6.357  12.966
  689    HA   LYS  87           HA       LYS  87  -0.957   4.461  14.322
  690   1HB   LYS  87          1HB       LYS  87  -1.641   6.420  16.334
  691   2HB   LYS  87          2HB       LYS  87  -2.784   5.122  16.527
  692   1HG   LYS  87          2HG       LYS  87  -0.880   3.458  16.422
  693   2HG   LYS  87          3HG       LYS  87   0.241   4.837  16.469
  694   1HD   LYS  87          2HD       LYS  87  -0.697   5.523  18.658
  695   2HD   LYS  87          3HD       LYS  87  -1.891   4.203  18.566
  696   1HE   LYS  87          2HE       LYS  87   0.003   2.540  18.448
  697   2HE   LYS  87          3HE       LYS  87   1.151   3.871  18.671
  698   1HZ   LYS  87          1HZ       LYS  87   0.125   4.288  20.815
  699   2HZ   LYS  87          3HZ       LYS  87  -0.925   3.035  20.589
  700   3HZ   LYS  87          2HZ       LYS  87   0.686   2.745  20.716
  701    H    LYS  88           H        LYS  88  -4.115   5.953  14.759
  702    HA   LYS  88           HA       LYS  88  -5.473   3.326  14.263
  703   1HB   LYS  88          1HB       LYS  88  -5.081   3.909  16.621
  704   2HB   LYS  88          2HB       LYS  88  -5.970   5.427  16.411
  705   1HG   LYS  88          2HG       LYS  88  -8.027   4.201  15.943
  706   2HG   LYS  88          3HG       LYS  88  -7.150   2.652  15.948
  707   1HD   LYS  88          2HD       LYS  88  -6.520   2.928  18.285
  708   2HD   LYS  88          3HD       LYS  88  -7.260   4.526  18.369
  709   1HE   LYS  88          2HE       LYS  88  -8.759   1.908  17.822
  710   2HE   LYS  88          3HE       LYS  88  -8.614   2.673  19.409
  711   1HZ   LYS  88          1HZ       LYS  88  -9.764   4.592  18.543
  712   2HZ   LYS  88          3HZ       LYS  88  -9.931   3.883  17.067
  713   3HZ   LYS  88          2HZ       LYS  88 -10.679   3.238  18.380
  714    H    THR  89           H        THR  89  -5.707   6.891  14.015
  715    HA   THR  89           HA       THR  89  -8.285   6.820  12.676
  716    HB   THR  89           HB       THR  89  -6.216   9.039  12.615
  717    HG1  THR  89          1HG       THR  89  -7.977   8.461  14.745
  718   1HG2  THR  89          2HG2      THR  89  -8.311   9.377  11.325
  719   2HG2  THR  89          3HG2      THR  89  -9.266   9.068  12.787
  720   3HG2  THR  89          1HG2      THR  89  -8.208  10.491  12.701
  721    H    GLU  90           H        GLU  90  -4.796   6.701  11.871
  722    HA   GLU  90           HA       GLU  90  -4.743   7.487   9.239
  723   1HB   GLU  90          1HB       GLU  90  -2.902   5.963   9.058
  724   2HB   GLU  90          2HB       GLU  90  -2.791   6.978  10.487
  725   1HG   GLU  90          2HG       GLU  90  -2.263   5.049  11.585
  726   2HG   GLU  90          3HG       GLU  90  -3.958   4.669  11.578
  727    H    ARG  91           H        ARG  91  -5.350   4.201  10.423
  728    HA   ARG  91           HA       ARG  91  -5.625   2.983   7.927
  729   1HB   ARG  91          1HB       ARG  91  -6.629   1.158   9.245
  730   2HB   ARG  91          2HB       ARG  91  -5.087   1.716   9.921
  731   1HG   ARG  91          2HG       ARG  91  -6.058   2.686  11.795
  732   2HG   ARG  91          3HG       ARG  91  -7.560   3.066  10.949
  733   1HD   ARG  91          2HD       ARG  91  -7.802   0.406  10.935
  734   2HD   ARG  91          3HD       ARG  91  -6.810   0.583  12.408
  735    HE   ARG  91           HE       ARG  91  -8.750   2.513  12.669
  736   1HH1  ARG  91          2HH2      ARG  91  -8.798  -1.006  12.271
  737   2HH1  ARG  91          1HH2      ARG  91 -10.500  -1.182  12.560
  738   1HH2  ARG  91          2HH1      ARG  91 -11.089   2.332  12.827
  739   2HH2  ARG  91          1HH1      ARG  91 -11.814   0.769  12.993
  740    H    GLU  92           H        GLU  92  -7.675   5.245   9.232
  741    HA   GLU  92           HA       GLU  92 -10.067   4.245   7.803
  742   1HB   GLU  92          1HB       GLU  92  -9.745   5.116  10.417
  743   2HB   GLU  92          2HB       GLU  92 -10.094   6.637   9.616
  744   1HG   GLU  92          2HG       GLU  92 -12.233   5.569   8.758
  745   2HG   GLU  92          3HG       GLU  92 -11.771   4.075   9.592
  746    H    ASP  93           H        ASP  93  -7.736   6.972   8.288
  747    HA   ASP  93           HA       ASP  93  -9.128   8.752   6.462
  748   1HB   ASP  93          1HB       ASP  93  -6.454   8.843   7.900
  749   2HB   ASP  93          2HB       ASP  93  -6.979  10.087   6.759
  750    H    LEU  94           H        LEU  94  -5.983   6.932   6.256
  751    HA   LEU  94           HA       LEU  94  -5.439   7.784   3.613
  752   1HB   LEU  94          1HB       LEU  94  -3.948   6.822   5.431
  753   2HB   LEU  94          2HB       LEU  94  -4.624   5.238   5.116
  754    HG   LEU  94           HG       LEU  94  -3.759   6.605   2.621
  755   1HD1  LEU  94          1HD1      LEU  94  -2.156   7.579   4.325
  756   2HD1  LEU  94          2HD1      LEU  94  -1.589   5.930   4.617
  757   3HD1  LEU  94          3HD1      LEU  94  -1.420   6.675   3.000
  758   1HD2  LEU  94          1HD2      LEU  94  -4.245   4.116   2.929
  759   2HD2  LEU  94          3HD2      LEU  94  -2.683   4.500   2.174
  760   3HD2  LEU  94          2HD2      LEU  94  -2.748   4.018   3.873
  761    H    ILE  95           H        ILE  95  -6.983   4.967   5.047
  762    HA   ILE  95           HA       ILE  95  -7.626   3.534   2.647
  763    HB   ILE  95           HB       ILE  95  -8.109   3.400   5.555
  764   1HG1  ILE  95          2HG1      ILE  95  -8.032   1.118   3.635
  765   2HG1  ILE  95          3HG1      ILE  95  -6.568   2.089   3.926
  766   1HG2  ILE  95          2HG2      ILE  95 -10.493   3.410   4.946
  767   2HG2  ILE  95          3HG2      ILE  95 -10.167   2.107   3.771
  768   3HG2  ILE  95          1HG2      ILE  95  -9.979   1.822   5.507
  769   1HD1  ILE  95          2HD1      ILE  95  -8.095   0.666   6.137
  770   2HD1  ILE  95          3HD1      ILE  95  -6.623   0.087   5.364
  771   3HD1  ILE  95          1HD1      ILE  95  -6.573   1.585   6.276
  772    H    ALA  96           H        ALA  96  -9.235   6.151   4.424
  773    HA   ALA  96           HA       ALA  96 -11.721   5.768   3.160
  774   1HB   ALA  96          2HB       ALA  96 -10.512   8.296   4.341
  775   2HB   ALA  96          1HB       ALA  96 -12.154   8.225   3.681
  776   3HB   ALA  96          1HB       ALA  96 -11.730   7.237   5.074
  777    H    TYR  97           H        TYR  97  -8.874   7.685   2.286
  778    HA   TYR  97           HA       TYR  97  -9.951   8.679  -0.200
  779   1HB   TYR  97          1HB       TYR  97  -8.275   9.930   0.682
  780   2HB   TYR  97          2HB       TYR  97  -7.232   8.558   1.054
  781    HD1  TYR  97           HD2      TYR  97  -8.735  10.342  -1.906
  782    HD2  TYR  97           HD1      TYR  97  -5.635   7.795  -0.483
  783    HE1  TYR  97           HE2      TYR  97  -7.410  10.793  -3.980
  784    HE2  TYR  97           HE1      TYR  97  -4.238   8.356  -2.433
  785    HH   TYR  97           HH       TYR  97  -5.265  10.735  -4.897
  786    H    LEU  98           H        LEU  98  -7.532   5.971   0.371
  787    HA   LEU  98           HA       LEU  98  -7.479   5.299  -2.350
  788   1HB   LEU  98          1HB       LEU  98  -6.785   3.894   0.221
  789   2HB   LEU  98          2HB       LEU  98  -6.610   3.068  -1.327
  790    HG   LEU  98           HG       LEU  98  -5.559   5.834  -1.289
  791   1HD1  LEU  98          1HD1      LEU  98  -4.164   3.667   0.316
  792   2HD1  LEU  98          2HD1      LEU  98  -3.453   5.237  -0.142
  793   3HD1  LEU  98          3HD1      LEU  98  -4.858   5.192   0.927
  794   1HD2  LEU  98          3HD2      LEU  98  -4.362   3.225  -2.248
  795   2HD2  LEU  98          1HD2      LEU  98  -5.226   4.439  -3.227
  796   3HD2  LEU  98          2HD2      LEU  98  -3.653   4.838  -2.482
  797    H    LYS  99           H        LYS  99  -9.803   4.208   0.129
  798    HA   LYS  99           HA       LYS  99 -11.053   2.211  -1.509
  799   1HB   LYS  99          1HB       LYS  99 -12.093   3.875   0.815
  800   2HB   LYS  99          2HB       LYS  99 -13.094   2.724  -0.074
  801   1HG   LYS  99          2HG       LYS  99 -11.573   0.872   0.431
  802   2HG   LYS  99          3HG       LYS  99 -10.499   1.975   1.293
  803   1HD   LYS  99          2HD       LYS  99 -11.849   0.733   2.859
  804   2HD   LYS  99          3HD       LYS  99 -12.254   2.459   2.952
  805   1HE   LYS  99          2HE       LYS  99 -14.348   2.144   1.863
  806   2HE   LYS  99          3HE       LYS  99 -13.909   0.521   1.287
  807   1HZ   LYS  99          1HZ       LYS  99 -13.947   0.916   4.179
  808   2HZ   LYS  99          3HZ       LYS  99 -15.400   0.696   3.361
  809   3HZ   LYS  99          2HZ       LYS  99 -14.152  -0.378   3.324
  810    H    LYS 100           H        LYS 100 -11.005   5.698  -1.658
  811    HA   LYS 100           HA       LYS 100 -13.368   5.788  -3.413
  812   1HB   LYS 100          1HB       LYS 100 -12.548   7.725  -1.808
  813   2HB   LYS 100          2HB       LYS 100 -11.334   8.023  -3.052
  814   1HG   LYS 100          2HG       LYS 100 -13.120   9.438  -3.709
  815   2HG   LYS 100          3HG       LYS 100 -13.310   8.022  -4.741
  816   1HD   LYS 100          2HD       LYS 100 -14.944   7.125  -2.947
  817   2HD   LYS 100          3HD       LYS 100 -14.886   8.720  -2.208
  818   1HE   LYS 100          2HE       LYS 100 -16.140   9.687  -3.932
  819   2HE   LYS 100          3HE       LYS 100 -15.431   8.643  -5.170
  820   1HZ   LYS 100          1HZ       LYS 100 -16.702   6.817  -4.334
  821   2HZ   LYS 100          2HZ       LYS 100 -17.514   7.787  -3.293
  822   3HZ   LYS 100          3HZ       LYS 100 -17.644   8.011  -4.931
  823    H    ALA 101           H        ALA 101  -9.805   6.209  -3.617
  824    HA   ALA 101           HA       ALA 101  -9.709   6.721  -6.342
  825   1HB   ALA 101          2HB       ALA 101  -7.800   7.000  -4.802
  826   2HB   ALA 101          1HB       ALA 101  -7.592   5.232  -4.743
  827   3HB   ALA 101          1HB       ALA 101  -7.383   6.104  -6.278
  828    H    THR 102           H        THR 102  -9.355   3.414  -4.834
  829    HA   THR 102           HA       THR 102  -8.981   2.370  -7.519
  830    HB   THR 102           HB       THR 102  -8.136   0.570  -6.666
  831    HG1  THR 102          1HG       THR 102 -10.122  -0.135  -5.602
  832   1HG2  THR 102          3HG2      THR 102  -7.136   2.584  -5.316
  833   2HG2  THR 102          1HG2      THR 102  -7.962   1.768  -3.941
  834   3HG2  THR 102          2HG2      THR 102  -6.733   0.921  -4.884
  835    H    ASN 103           H        ASN 103 -11.662   3.532  -7.249
  836    HA   ASN 103           HA       ASN 103 -13.484   1.197  -7.420
  837   1HB   ASN 103          1HB       ASN 103 -12.799   1.124  -5.069
  838   2HB   ASN 103          2HB       ASN 103 -13.052   2.868  -4.949
  839   1HD2  ASN 103          2HD2      ASN 103 -16.249   2.351  -3.661
  840   2HD2  ASN 103          1HD2      ASN 103 -14.639   3.045  -3.460
  841    H    GLU 104           H        GLU 104 -13.379   4.619  -6.447
  842    HA   GLU 104           HA       GLU 104 -14.693   6.334  -6.576
  843   1HB   GLU 104          1HB       GLU 104 -15.958   4.930  -8.912
  844   2HB   GLU 104          2HB       GLU 104 -16.869   6.197  -8.106
  845   1HG   GLU 104          2HG       GLU 104 -14.006   6.656  -9.002
  846   2HG   GLU 104          3HG       GLU 104 -15.414   6.960 -10.033
  847    HHA  HEC   1          MHG       HEM  18   3.911  -3.581  -1.964
  848    HHB  HEC   1          MHD       HEM  18  -0.275   0.710   0.271
  849    HHC  HEC   1          MHA       HEM  18   4.761   4.499   1.636
  850    HHD  HEC   1          MHB       HEM  18   8.448   0.861  -2.121
  851   1HMA  HEC   1          1HM8      HEM  18  -1.416  -1.115  -0.604
  852   2HMA  HEC   1          2HM8      HEM  18  -1.160  -2.808  -1.041
  853   3HMA  HEC   1          3HM8      HEM  18  -0.935  -2.297   0.642
  854   1HAA  HEC   1          1HP7      HEM  18   2.182  -4.635  -1.573
  855   2HAA  HEC   1          2HP7      HEM  18   0.576  -4.450  -1.077
  856   1HBA  HEC   1          3HP7      HEM  18  -0.155  -3.628  -3.230
  857   2HBA  HEC   1          4HP7      HEM  18   1.521  -3.317  -3.722
  858   1HMB  HEC   1          1HM1      HEM  18  -0.555   4.409   1.016
  859   2HMB  HEC   1          2HM1      HEM  18  -1.024   2.814   0.469
  860   3HMB  HEC   1          3HM1      HEM  18  -0.754   3.084   2.205
  861    HAB  HEC   1          AHT2      HEM  18   3.038   5.132   2.781
  862   1HBB  HEC   1          1HT2      HEM  18   1.222   4.319   4.092
  863   2HBB  HEC   1          2HT2      HEM  18   1.184   6.085   3.849
  864   3HBB  HEC   1          3HT2      HEM  18   0.048   5.058   2.998
  865   1HMC  HEC   1          1HM3      HEM  18   7.052   5.987  -0.173
  866   2HMC  HEC   1          2HM3      HEM  18   6.683   5.517   1.493
  867   3HMC  HEC   1          3HM3      HEM  18   8.313   5.318   0.883
  868    HAC  HEC   1          AHT4      HEM  18   9.227   2.812  -2.233
  869   1HBC  HEC   1          1HT4      HEM  18  10.137   3.093   0.188
  870   2HBC  HEC   1          2HT4      HEM  18  11.058   3.707  -1.203
  871   3HBC  HEC   1          3HT4      HEM  18  10.126   4.829  -0.215
  872   1HMD  HEC   1          1HM5      HEM  18   8.609  -1.241  -4.214
  873   2HMD  HEC   1          2HM5      HEM  18   9.370  -1.225  -2.614
  874   3HMD  HEC   1          3HM5      HEM  18   8.816  -2.754  -3.353
  875   1HAD  HEC   1          1HP6      HEM  18   5.493  -4.471  -2.996
  876   2HAD  HEC   1          2HP6      HEM  18   6.896  -3.992  -3.852
  877   1HBD  HEC   1          3HP6      HEM  18   7.991  -4.003  -1.390
  878   2HBD  HEC   1          4HP6      HEM  18   6.607  -5.069  -1.063
   
  No H/Q in entry =         878