*HEADER    ELECTRON TRANSPORT                      28-FEB-05   1YZA              
*TITLE     THE SOLUTION STRUCTURE OF A REDESIGNED APOCYTOCHROME B562             
*TITLE    2 (RD-APOCYT B562) WITH THE N-TERMINAL HELIX UNFOLDED                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REDESIGNED APO-CYTOCHROME B562;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS CELLS;                     
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET17B                                    
*KEYWDS    RD-APOCYT B562, PROTEIN FOLDING, HIDDEN FOLDING                       
*KEYWDS   2 INTERMEDIATE, NON-NATIVE, HYDROPHOBIC-INTERACTIONS,                  
*KEYWDS   3 STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE,              
*KEYWDS   4 BERKELEY STRUCTURAL GENOMICS CENTER, BSGC                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    H.FENG, T.TAKEI, R.LIPSITZ, N.TJANDRA, Y.BAI, BERKELEY                
*AUTHOR   2 STRUCTURAL GENOMICS CENTER (BSGC)                                    
*REVDAT   1   28-AUG-05 1YZA    0                                                

!
! A1
assign (resid   1 and name   HA ) (resid   2 and name   HN )  4.5  2.2  2.0 ! A.588  at 4.68e+05
assign (resid   1 and name   HA ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.239  at 3.61e+05
!assign (resid   1 and name   HA ) (resid   7 and name   HN )  2.5  0.7  0.4 ! A.668  at 1.49e+07

! D2
assign (resid   2 and name   HN ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.234  at 8.10e+05
assign (resid   2 and name  HB# ) (resid   3 and name   HN )  4.5  2.2  2.5 ! A.240  at 5.70e+05
assign (resid   2 and name  HB1 ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.580  at 4.03e+06
!assign (resid   2 and name   HN ) (resid   5 and name  HB# )  4.5  2.2  2.5 ! A.590  at 2.10e+05
!assign (resid   2 and name   HN ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.501  at 2.34e+05
!assign (resid   2 and name  HB1 ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.506  at 8.69e+05
!assign (resid   2 and name   HN ) (resid   6 and name   HA )  4.5  2.2  2.0 ! A.587  at 1.38e+05

! L3
assign (resid   3 and name   HG ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.245  at 1.46e+06
assign (resid   3 and name  HB# ) (resid   3 and name   HN )  3.5  1.2  1.0 ! A.244  at 3.43e+06
assign (resid   3 and name HD1# ) (resid   3 and name   HN )  4.5  2.2  2.5 ! A.246  at 5.47e+05
assign (resid   3 and name   HG ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.584  at 2.04e+06
assign (resid   3 and name  HB# ) (resid   4 and name   HN )  4.0  2.2  1.5 ! A.583  at 1.79e+06
assign (resid   3 and name HD2# ) (resid   4 and name   HN )  4.0  2.2  1.5 ! A.585  at 1.20e+06
assign (resid   3 and name   HN ) (resid   5 and name  HB# )  4.5  2.2  2.5 ! A.241  at 5.57e+05
assign (resid   3 and name   HG ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.511  at 5.72e+05
assign (resid   3 and name  HB# ) (resid   5 and name   HN )  4.0  2.2  1.5 ! A.510  at 1.14e+06
assign (resid   3 and name   HN ) (resid   5 and name   HA )  4.5  2.2  2.0 ! A.236  at 7.55e+05
!assign (resid   3 and name   HN ) (resid   6 and name   HA )  4.5  2.2  2.0 ! A.236  at 7.55e+05

! E4
assign (resid   4 and name  HB# ) (resid   4 and name   HN )  2.5  0.7  0.9 ! A.582  at 1.12e+07
assign (resid   4 and name  HG# ) (resid   4 and name   HN )  3.5  1.2  1.0 ! A.581  at 3.71e+06
assign (resid   4 and name  HB# ) (resid   5 and name   HN )  4.0  2.2  1.5 ! A.509  at 1.23e+06
assign (resid   4 and name  HG# ) (resid   5 and name   HN )  4.5  2.2  2.5 ! A.508  at 9.15e+05
assign (resid   4 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1283 at 3.64e+05
assign (resid   4 and name   HA ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1284 at 5.55e+05

! D5
assign (resid   5 and name  HB# ) (resid   5 and name   HN )  4.5  2.2  2.5 ! A.507  at 2.35e+05
assign (resid   5 and name   HN ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.504  at 2.89e+05
assign (resid   5 and name   HN ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1279 at 7.87e+05
assign (resid   5 and name  HB# ) (resid   6 and name HD21 )  4.5  2.2  2.5 ! A.1289 at 5.34e+05
!assign (resid   5 and name  HB# ) (resid   8 and name   HN )  4.5  2.2  2.5 ! A.385  at 5.58e+05

! N6
assign (resid   6 and name HD22 ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.805  at 1.68e+05
assign (resid   6 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1281 at 3.44e+05
assign (resid   6 and name   HA ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1282 at 3.09e+05
assign (resid   6 and name   HN ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1277 at 4.48e+05
assign (resid   6 and name  HB2 ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1288 at 6.42e+05
assign (resid   6 and name  HB2 ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1287 at 3.44e+05
assign (resid   6 and name  HB1 ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1285 at 2.23e+05
assign (resid   6 and name  HB1 ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1286 at 3.61e+05
assign (resid   6 and name  HB# ) (resid   6 and name   HN )  3.5  1.2  1.0 ! A.809  at 3.19e+06
assign (resid   6 and name HD22 ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.611  at 2.30e+05
assign (resid   6 and name   HN ) (resid   8 and name   HA )  4.0  2.2  1.0 ! A.808  at 1.45e+06

! D7
assign (resid   7 and name  HB# ) (resid   7 and name   HN )  3.5  1.2  1.0 ! A.613  at 2.15e+06

! E8
assign (resid   8 and name  HB# ) (resid   8 and name   HN )  3.5  1.2  1.0 ! A.387  at 3.76e+06
assign (resid   8 and name  HG# ) (resid   8 and name   HN )  4.0  2.2  1.5 ! A.386  at 1.27e+06
assign (resid   8 and name   HA ) (resid   9 and name   HN )  3.5  1.2  0.5 ! A.1310 at 4.60e+06
assign (resid   8 and name  HG# ) (resid   9 and name   HN )  4.5  2.2  2.5 ! A.1312 at 4.64e+05
assign (resid   8 and name  HB# ) (resid   9 and name   HN )  4.0  2.2  1.5 ! A.1313 at 1.18e+06

! T9
assign (resid   9 and name HG2# ) (resid   9 and name   HN )  3.5  1.2  1.0 ! A.1314 at 2.35e+06
assign (resid   9 and name HG2# ) (resid  10 and name   HN )  4.0  2.2  1.5 ! A.1471 at 1.35e+06
assign (resid   9 and name   HA ) (resid  10 and name   HN )  3.5  1.2  0.5 ! A.1469 at 4.59e+06
assign (resid   9 and name   HA ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.949  at 5.31e+05
assign (resid   9 and name HG2# ) (resid  11 and name   HN )  4.5  2.2  2.5 ! A.951  at 2.29e+05
assign (resid   9 and name   HN ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.944  at 5.57e+06

! G10
assign (resid  10 and name   HN ) (resid  11 and name   HA )  4.5  2.2  2.0 ! A.1468 at 1.66e+05
assign (resid  10 and name   HN ) (resid  11 and name  HB# )  4.5  2.2  2.5 ! A.1470 at 5.49e+05

! N11
assign (resid  11 and name  HB# ) (resid  11 and name   HN )  3.5  1.2  1.0 ! A.950  at 2.99e+06
assign (resid  11 and name HD22 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.946  at 2.93e+05
assign (resid  11 and name HD21 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.945  at 3.13e+05
assign (resid  11 and name  HB# ) (resid  11 and name HD21 )  4.5  2.2  2.5 ! A.1368 at 2.75e+05
assign (resid  11 and name  HB# ) (resid  11 and name HD22 )  4.5  2.2  2.5 ! A.1369 at 3.86e+05
assign (resid  11 and name   HA ) (resid  11 and name HD21 )  4.5  2.2  2.0 ! A.1367 at 2.39e+05
assign (resid  11 and name   HN ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.609  at 9.27e+05

! D12
assign (resid  12 and name  HB# ) (resid  12 and name   HN )  3.5  1.2  1.0 ! A.613  at 2.15e+06
assign (resid  12 and name   HA ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.856  at 2.84e+06

! N13
assign (resid  13 and name  HB# ) (resid  13 and name HD21 )  2.5  0.7  0.9 ! A.1370 at 8.13e+06
assign (resid  13 and name  HB# ) (resid  13 and name HD22 )  2.5  0.7  0.9 ! A.1371 at 5.44e+06
assign (resid  13 and name  HB# ) (resid  13 and name   HN )  3.5  1.2  1.0 ! A.719  at 3.59e+06
assign (resid  13 and name  HB# ) (resid  14 and name   HN )  4.5  2.2  2.5 ! A.1492 at 8.71e+05
assign (resid  13 and name   HN ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.1486 at 2.24e+08
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.5  1.2  0.5 ! A.1489 at 2.54e+06
assign (resid  13 and name HD22 ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.1488 at 2.48e+05
assign (resid  13 and name HD21 ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.1487 at 4.37e+05

! G14
assign (resid  14 and name   HN ) (resid  15 and name  HE1 )  4.5  2.2  2.0 ! A.1491 at 3.87e+05
assign (resid  14 and name   HN ) (resid  15 and name  HD# )  4.5  2.2  2.5 ! A.1493 at 2.30e+05
assign (resid  14 and name   HN ) (resid  15 and name   HA )  4.5  2.2  2.0 ! A.1490 at 2.73e+05

! K15
assign (resid  15 and name  HB# ) (resid  15 and name   HN )  2.5  0.7  0.9 ! A.685  at 5.09e+06
assign (resid  15 and name   HN ) (resid  16 and name   HN )  3.5  1.2  0.5 ! A.1473 at 2.22e+06
assign (resid  15 and name  HG# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! A.1478 at 1.25e+06
assign (resid  15 and name  HB# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! A.1476 at 1.21e+06
assign (resid  15 and name   HA ) (resid  16 and name   HN )  3.5  1.2  0.5 ! A.1474 at 4.07e+06
assign (resid  15 and name  HD# ) (resid  16 and name   HN )  4.5  2.2  2.5 ! A.1477 at 1.58e+05
assign (resid  15 and name  HG# ) (resid  17 and name   HN )  4.0  2.2  1.5 ! A.1485 at 1.12e+06
assign (resid  15 and name   HN ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.683  at 1.08e+06
assign (resid  15 and name   HA ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.1482 at 1.98e+05
assign (resid  15 and name  HB# ) (resid  17 and name   HN )  4.5  2.2  2.5 ! A.1484 at 7.90e+05
!assign (resid  15 and name  HG# ) (resid  18 and name   HN )  2.5  0.7  0.9 ! A.622  at 8.66e+06
!assign (resid  15 and name  HB# ) (resid  18 and name   HN )  4.0  2.2  1.5 ! A.621  at 1.80e+06

! G16
assign (resid  16 and name   HN ) (resid  17 and name   HN )  3.5  1.2  0.5 ! A.1472 at 2.73e+06
assign (resid  16 and name   HN ) (resid  18 and name  HB# )  4.5  2.2  2.5 ! A.1475 at 3.60e+05

! G17
assign (resid  17 and name   HN ) (resid  18 and name   HN )  2.5  0.7  0.4 ! A.1479 at 2.39e+08
assign (resid  17 and name   HN ) (resid  18 and name   HA )  4.5  2.2  2.0 ! A.1481 at 2.28e+05
assign (resid  17 and name   HN ) (resid  18 and name  HB# )  4.5  2.2  2.5 ! A.1483 at 4.78e+05

! E18
assign (resid  18 and name   HA ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.236  at 1.55e+06
assign (resid  18 and name  HG# ) (resid  19 and name   HN )  4.5  2.2  2.5 ! A.242  at 1.07e+06
assign (resid  18 and name  HB# ) (resid  19 and name   HN )  3.5  1.2  1.0 ! A.243  at 2.59e+06

! K19
assign (resid  19 and name  HB1 ) (resid  19 and name   HN )  3.5  0.7  0.4 ! A.268  at 4.15e+06
assign (resid  19 and name  HG1 ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.269  at 4.31e+05
assign (resid  19 and name  HE1 ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.266  at 3.70e+05
assign (resid  19 and name  HB1 ) (resid  20 and name   HN )  3.5  1.2  0.5 ! A.49   at 4.00e+06
assign (resid  19 and name  HG1 ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1402 at 7.88e+05

! A20
assign (resid  20 and name  HB# ) (resid  20 and name   HN )  2.5  0.7  0.9 ! A.52   at 1.94e+07
assign (resid  20 and name   HN ) (resid  21 and name   HA )  4.5  2.2  2.0 ! A.45   at 5.00e+05
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  0.7  0.6 ! A.730  at 2.33e+07
assign (resid  20 and name  HB# ) (resid  21 and name   HN )  2.5  2.2  2.5 ! A.737  at 7.98e+05
assign (resid  20 and name  HB# ) (resid  22 and name   HN )  4.5  2.2  2.5 ! A.724  at 2.21e+05
assign (resid  20 and name   HN ) (resid  25 and name   HA )  4.5  2.2  2.0 ! A.47   at 2.97e+05
assign (resid  20 and name  HB# ) (resid  25 and name   HN )  4.5  2.2  2.5 ! A.1059 at 1.27e+05
assign (resid  20 and name   HA ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1051 at 2.43e+05
assign (resid  20 and name   HA ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1394 at 3.51e+05

! D21
assign (resid  21 and name  HB# ) (resid  21 and name   HN )  4.5  2.2  2.5 ! A.733  at 7.59e+05
assign (resid  21 and name   HN ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.726  at 5.61e+06
assign (resid  21 and name   HN ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.209  at 8.96e+05
assign (resid  21 and name   HN ) (resid  24 and name  HB# )  4.5  2.2  2.5 ! A.736  at 3.20e+05
assign (resid  21 and name   HN ) (resid  24 and name   HA )  4.5  2.2  2.0 ! A.732  at 5.92e+05
assign (resid  21 and name   HN ) (resid  24 and name   HN )  3.5  1.2  0.5 ! A.727  at 2.38e+06
assign (resid  21 and name   HN ) (resid  25 and name  HB# )  4.5  2.2  2.5 ! A.735  at 4.05e+05
assign (resid  21 and name   HN ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.729  at 2.82e+05
assign (resid  21 and name   HN ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.728  at 4.05e+05
assign (resid  21 and name   HN ) (resid  25 and name   HA )  4.5  2.2  2.0 ! A.731  at 4.62e+05
assign (resid  21 and name   HN ) (resid  25 and name  HG# )  4.5  2.2  2.5 ! A.734  at 1.87e+05
assign (resid  21 and name  HB# ) (resid  25 and name HE21 )  3.5  1.2  1.0 ! A.1397 at 3.76e+06
assign (resid  21 and name   HN ) (resid  26 and name   HN )  4.5  2.2  1.0 ! A.352  at 1.39e+06

! N22
assign (resid  22 and name HD21 ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.715  at 5.31e+05
assign (resid  22 and name  HB1 ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.721  at 2.23e+05
assign (resid  22 and name  HB2 ) (resid  22 and name HD22 )  3.5  1.2  0.5 ! A.1384 at 3.92e+06
assign (resid  22 and name   HA ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1380 at 7.47e+05
assign (resid  22 and name   HA ) (resid  22 and name HD21 )  4.5  2.2  2.0 ! A.1379 at 4.53e+05
assign (resid  22 and name  HB2 ) (resid  22 and name HD21 )  4.5  2.2  2.0 ! A.1383 at 4.45e+05
assign (resid  22 and name   HN ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1375 at 3.78e+05
assign (resid  22 and name  HB1 ) (resid  22 and name HD21 )  4.5  2.2  2.0 ! A.1385 at 2.96e+05
assign (resid  22 and name HD22 ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.213  at 3.61e+05
assign (resid  22 and name  HB2 ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.218  at 5.86e+06
assign (resid  22 and name HD21 ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.212  at 5.90e+05
assign (resid  22 and name HD21 ) (resid  23 and name  HB# )  4.5  2.2  2.5 ! A.1388 at 7.22e+05
assign (resid  22 and name HD22 ) (resid  23 and name  HB# )  4.0  2.2  1.5 ! A.1389 at 1.53e+06
assign (resid  22 and name HD22 ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.1382 at 2.07e+05
assign (resid  22 and name HD21 ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.1381 at 4.87e+05
assign (resid  22 and name   HA ) (resid  23 and name   HN )  3.5  1.2  0.5 ! A.214  at 3.86e+06
assign (resid  22 and name   HN ) (resid  23 and name  HB# )  3.5  1.2  1.0 ! A.723  at 2.10e+06
assign (resid  22 and name   HN ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.718  at 3.39e+05
assign (resid  22 and name  HB1 ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.647  at 2.97e+05
assign (resid  22 and name HD22 ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.1376 at 3.06e+05
assign (resid  22 and name   HA ) (resid  24 and name   HN )  4.0  2.2  1.0 ! A.646  at 1.30e+06
assign (resid  22 and name   HN ) (resid  25 and name  HB# )  3.5  1.2  1.0 ! A.722  at 2.30e+06
assign (resid  22 and name  HB2 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1053 at 9.29e+05
assign (resid  22 and name   HA ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.1050 at 1.55e+06
assign (resid  22 and name  HB1 ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.360  at 5.86e+05
assign (resid  22 and name  HB2 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.660  at 3.37e+05
assign (resid  22 and name   HN ) (resid  84 and name HG1# )  4.5  2.2  2.5 ! A.725  at 7.58e+05
assign (resid  22 and name HD21 ) (resid  84 and name   HB )  4.5  2.2  2.0 ! A.1386 at 7.83e+05
assign (resid  22 and name HD22 ) (resid  84 and name   HB )  4.5  2.2  2.0 ! A.1387 at 3.18e+05
assign (resid  22 and name HD21 ) (resid  84 and name HG2# )  3.5  1.2  1.0 ! A.1390 at 1.98e+06
assign (resid  22 and name HD22 ) (resid  84 and name HG2# )  3.5  1.2  1.0 ! A.1391 at 1.92e+06

! A23
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  2.5  0.7  0.9 ! A.220  at 2.38e+07
assign (resid  23 and name   HN ) (resid  24 and name   HA )  4.5  2.2  2.0 ! A.217  at 3.96e+05
assign (resid  23 and name   HN ) (resid  24 and name   HN )  2.5  0.7  0.4 ! A.598  at 8.04e+06
assign (resid  23 and name   HN ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.210  at 8.57e+05
assign (resid  23 and name  HB# ) (resid  25 and name   HN )  4.0  2.2  1.5 ! A.1058 at 1.32e+06
assign (resid  23 and name  HB# ) (resid  26 and name   HN )  4.5  2.2  2.5 ! A.365  at 8.49e+05
assign (resid  23 and name   HN ) (resid  84 and name HG1# )  4.5  2.2  2.5 ! A.221  at 7.84e+05
assign (resid  23 and name   HN ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.222  at 3.81e+05

! A24
assign (resid  24 and name  HB# ) (resid  24 and name   HN )  2.5  0.7  0.9 ! A.607  at 4.52e+07
assign (resid  24 and name  HB# ) (resid  25 and name   HN )  2.5  0.7  0.9 ! A.1058 at 6.32e+06
assign (resid  24 and name  HB# ) (resid  26 and name   HN )  4.0  2.2  1.5 ! A.365  at 1.39e+06
assign (resid  24 and name   HA ) (resid  27 and name   HN )  3.5  1.2  0.5 ! A.487  at 3.00e+06

! Q25
assign (resid  25 and name  HG# ) (resid  25 and name   HN )  4.5  2.2  2.5 ! A.1055 at 7.54e+05
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  2.5  0.7  0.9 ! A.1056 at 2.22e+07
assign (resid  25 and name HE21 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1049 at 1.92e+05
assign (resid  25 and name   HA ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1395 at 7.24e+05
assign (resid  25 and name  HG# ) (resid  25 and name HE22 )  3.5  1.2  1.0 ! A.1399 at 2.57e+06
assign (resid  25 and name  HB# ) (resid  25 and name HE21 )  4.5  2.2  2.5 ! A.1400 at 3.20e+05
assign (resid  25 and name HE21 ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.355  at 3.40e+05
assign (resid  25 and name  HG# ) (resid  26 and name   HN )  4.5  2.2  2.5 ! A.361  at 3.09e+05
assign (resid  25 and name   HN ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.1061 at 3.46e+05
assign (resid  25 and name   HN ) (resid  27 and name  HB# )  4.5  2.2  2.5 ! A.1057 at 2.06e+05

! V26
assign (resid  26 and name   HB ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.363  at 2.27e+07
assign (resid  26 and name HG1# ) (resid  26 and name   HN )  4.0  2.2  1.5 ! A.367  at 1.40e+06
assign (resid  26 and name HG2# ) (resid  26 and name   HN )  4.5  2.2  2.5 ! A.368  at 5.57e+05
assign (resid  26 and name   HN ) (resid  27 and name   HA )  4.5  2.2  2.0 ! A.358  at 2.03e+05
assign (resid  26 and name   HA ) (resid  27 and name   HN )  3.5  1.2  0.5 ! A.487  at 2.40e+06
assign (resid  26 and name HG1# ) (resid  27 and name   HN )  3.5  1.2  1.0 ! A.499  at 2.92e+06
assign (resid  26 and name HG2# ) (resid  27 and name   HN )  4.5  2.2  2.5 ! A.500  at 9.41e+05
assign (resid  26 and name   HN ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.365  at 1.49e+06
assign (resid  26 and name HG1# ) (resid  29 and name   HN )  3.5  1.2  1.0 ! A.461  at 3.73e+06
assign (resid  26 and name HG2# ) (resid  88 and name   HN )  4.5  2.2  2.5 ! A.968  at 2.95e+05

! K27
assign (resid  27 and name  HG# ) (resid  27 and name   HN )  2.5  0.7  0.9 ! A.498  at 7.35e+06
assign (resid  27 and name  HB# ) (resid  27 and name   HN )  2.5  0.7  0.9 ! A.497  at 9.97e+06
assign (resid  27 and name  HD# ) (resid  28 and name   HN )  4.5  2.2  2.5 ! A.492  at 4.73e+05
assign (resid  27 and name  HB# ) (resid  30 and name   HN )  3.5  1.2  1.0 ! A.896  at 2.42e+06
assign (resid  27 and name   HA ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.893  at 2.19e+06
assign (resid  27 and name   HN ) (resid  31 and name HG2# )  4.5  2.2  2.5 ! A.494  at 7.56e+05

! D28
assign (resid  28 and name  HB# ) (resid  29 and name   HN )  2.5  0.7  0.9 ! A.346  at 1.01e+07
assign (resid  28 and name   HN ) (resid  29 and name   HN )  2.5  0.7  0.4 ! A.338  at 9.78e+06
assign (resid  28 and name   HA ) (resid  29 and name   HN )  3.5  1.2  0.5 ! A.452  at 4.19e+06
assign (resid  28 and name  HB# ) (resid  30 and name   HN )  4.5  2.2  2.5 ! A.894  at 1.92e+05
assign (resid  28 and name   HA ) (resid  30 and name   HN )  4.5  2.2  2.0 ! A.891  at 3.23e+05
assign (resid  28 and name  HB# ) (resid  31 and name   HN )  4.5  2.2  2.5 ! A.1097 at 3.94e+05
assign (resid  28 and name  HB# ) (resid  32 and name   HN )  4.5  2.2  2.5 ! A.178  at 6.57e+05
assign (resid  28 and name   HA ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.174  at 1.44e+06

! A29
assign (resid  29 and name  HB# ) (resid  29 and name   HN )  2.5  0.7  0.9 ! A.459  at 4.35e+07
assign (resid  29 and name   HN ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.855  at 5.71e+06
assign (resid  29 and name   HN ) (resid  32 and name   HN )  4.5  2.2  2.0 ! A.172  at 8.13e+05

! L30
assign (resid  30 and name HD2# ) (resid  30 and name   HN )  3.5  1.2  1.0 ! A.901  at 4.16e+06
assign (resid  30 and name HD1# ) (resid  30 and name   HN )  2.5  0.7  0.9 ! A.900  at 8.40e+06
assign (resid  30 and name   HG ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.897  at 4.00e+06
assign (resid  30 and name  HB# ) (resid  30 and name   HN )  2.5  0.7  0.9 ! A.895  at 7.78e+06
assign (resid  30 and name   HN ) (resid  31 and name HG2# )  2.5  0.7  0.9 ! A.898  at 5.26e+06
assign (resid  30 and name   HG ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.1099 at 1.35e+06
assign (resid  30 and name   HN ) (resid  31 and name   HN )  3.5  1.2  0.5 ! A.1091 at 3.88e+06
assign (resid  30 and name HD1# ) (resid  31 and name   HN )  4.0  2.2  1.5 ! A.1026 at 1.49e+06
assign (resid  30 and name  HB# ) (resid  31 and name   HN )  3.5  1.2  1.0 ! A.1022 at 2.89e+06
assign (resid  30 and name   HA ) (resid  31 and name   HN )  4.0  2.2  1.0 ! A.1095 at 1.57e+06
assign (resid  30 and name HD2# ) (resid  75 and name   HN )  4.5  2.2  2.5 ! A.73   at 5.41e+05
assign (resid  30 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.544  at 7.14e+05

! T31
assign (resid  31 and name HG2# ) (resid  32 and name   HN )  3.5  1.2  1.0 ! A.184  at 2.90e+06
assign (resid  31 and name   HA ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.177  at 1.43e+06
assign (resid  31 and name   HB ) (resid  32 and name   HN )  3.5  1.2  0.5 ! A.174  at 3.04e+06
assign (resid  31 and name   HN ) (resid  32 and name   HN )  2.5  0.7  0.4 ! A.1092 at 6.56e+06
assign (resid  31 and name   HN ) (resid  32 and name  HB# )  3.5  1.2  1.0 ! A.1024 at 1.82e+06
assign (resid  31 and name HG2# ) (resid  34 and name   HN )  4.5  2.2  2.5 ! A.332  at 8.85e+05
assign (resid  31 and name   HN ) (resid  34 and name  HB1 )  4.5  2.2  2.0 ! A.1098 at 4.50e+05
assign (resid  31 and name   HN ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1093 at 3.26e+05
assign (resid  31 and name   HN ) (resid  72 and name HG2# )  4.0  2.2  1.5 ! A.1100 at 1.11e+06

! K32
assign (resid  32 and name  HG# ) (resid  32 and name   HN )  4.0  2.2  1.5 ! A.183  at 1.28e+06
assign (resid  32 and name  HD# ) (resid  32 and name   HN )  4.0  2.2  1.5 ! A.181  at 1.56e+06
assign (resid  32 and name  HB# ) (resid  32 and name   HN )  2.5  0.7  0.9 ! A.179  at 1.39e+07
assign (resid  32 and name   HN ) (resid  33 and name   HN )  2.5  0.7  0.4 ! A.171  at 4.38e+07
assign (resid  32 and name   HN ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.846  at 2.82e+05
assign (resid  32 and name  HB1 ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.851  at 4.46e+05
assign (resid  32 and name  HB1 ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.800  at 1.27e+05
assign (resid  32 and name  HE1 ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.798  at 1.96e+05

! M33
assign (resid  33 and name  HB# ) (resid  33 and name   HN )  2.5  0.7  0.9 ! A.595  at 9.57e+06
assign (resid  33 and name  HG1 ) (resid  33 and name   HN )  2.5  0.7  0.4 ! A.489  at 5.91e+06
assign (resid  33 and name   HN ) (resid  34 and name   HA )  4.5  2.2  2.0 ! A.594  at 1.63e+05
assign (resid  33 and name   HN ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.482  at 4.42e+06
assign (resid  33 and name   HN ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.591  at 6.86e+05
assign (resid  33 and name   HN ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.789  at 1.05e+06
assign (resid  33 and name  HB# ) (resid  37 and name   HN )  4.5  2.2  2.5 ! A.144  at 3.34e+05
assign (resid  33 and name   HA ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.140  at 1.11e+06

! R34
assign (resid  34 and name  HD1 ) (resid  34 and name   HN )  4.5  2.2  2.0 ! A.324  at 2.67e+05
assign (resid  34 and name  HB1 ) (resid  34 and name   HN )  2.5  0.7  0.4 ! A.328  at 1.38e+07
assign (resid  34 and name  HG1 ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.329  at 1.24e+06
assign (resid  34 and name   HN ) (resid  35 and name   HN )  3.5  1.2  0.5 ! A.845  at 4.73e+06
assign (resid  34 and name  HD1 ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.849  at 2.36e+05
assign (resid  34 and name   HA ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.848  at 1.14e+06
assign (resid  34 and name  HB1 ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.850  at 1.37e+06
assign (resid  34 and name   HA ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.797  at 3.53e+05
assign (resid  34 and name  HB1 ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.145  at 3.49e+05
assign (resid  34 and name   HN ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.134  at 1.10e+06
assign (resid  34 and name   HA ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.142  at 1.42e+06
assign (resid  34 and name  HG1 ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.1086 at 1.33e+06
assign (resid  34 and name   HN ) (resid  72 and name HG11 )  3.5  1.2  0.5 ! A.333  at 1.92e+06
assign (resid  34 and name   HN ) (resid  72 and name HG2# )  4.5  2.2  2.5 ! A.334  at 1.02e+06
assign (resid  34 and name   HN ) (resid  72 and name   HB )  4.0  2.2  1.0 ! A.326  at 1.47e+06

! A35
assign (resid  35 and name  HB# ) (resid  35 and name   HN )  2.5  0.7  0.9 ! A.852  at 2.45e+07
assign (resid  35 and name   HA ) (resid  36 and name   HN )  4.5  2.2  2.0 ! A.795  at 4.77e+05
assign (resid  35 and name   HN ) (resid  36 and name   HN )  2.5  0.7  0.4 ! A.833  at 6.25e+06
assign (resid  35 and name   HN ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.136  at 8.94e+05
assign (resid  35 and name   HA ) (resid  37 and name   HN )  4.0  2.2  1.0 ! A.140  at 1.11e+06
assign (resid  35 and name   HN ) (resid  38 and name HD1# )  4.5  2.2  2.5 ! A.853  at 3.51e+05
assign (resid  35 and name   HA ) (resid  38 and name   HN )  3.5  1.2  0.5 ! A.1080 at 2.81e+06
assign (resid  35 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.867  at 1.67e+06

! A36
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  2.5  0.7  0.9 ! A.802  at 3.28e+07
assign (resid  36 and name   HA ) (resid  37 and name   HN )  3.5  1.2  0.5 ! A.139  at 2.38e+06
assign (resid  36 and name   HN ) (resid  37 and name  HB# )  4.0  2.2  1.5 ! A.803  at 1.68e+06
assign (resid  36 and name   HN ) (resid  37 and name   HA )  4.5  2.2  2.0 ! A.796  at 3.86e+05
assign (resid  36 and name   HN ) (resid  37 and name   HN )  2.5  0.7  0.4 ! A.788  at 9.11e+06
assign (resid  36 and name   HN ) (resid  38 and name   HN )  3.5  0.7  0.4 ! A.790  at 3.06e+06
assign (resid  36 and name   HA ) (resid  39 and name   HN )  3.5  1.2  0.5 ! A.866  at 3.99e+06
assign (resid  36 and name  HB# ) (resid  40 and name   HN )  4.5  2.2  2.5 ! A.166  at 3.10e+05

! A37
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  2.5  0.7  0.9 ! A.147  at 1.84e+07
assign (resid  37 and name   HN ) (resid  38 and name HD1# )  4.5  2.2  2.5 ! A.148  at 8.92e+05
assign (resid  37 and name   HN ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.1073 at 5.37e+06
assign (resid  37 and name   HN ) (resid  38 and name  HB# )  4.5  2.2  2.5 ! A.146  at 5.50e+05
assign (resid  37 and name   HN ) (resid  39 and name   HN )  4.5  2.2  2.0 ! A.861  at 3.41e+05
assign (resid  37 and name  HB# ) (resid  39 and name   HN )  4.5  2.2  2.5 ! A.873  at 9.96e+05
assign (resid  37 and name   HA ) (resid  40 and name   HN )  3.5  1.2  0.5 ! A.159  at 2.57e+06
assign (resid  37 and name   HN ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.150  at 3.35e+05
assign (resid  37 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.138  at 2.17e+05
assign (resid  37 and name   HN ) (resid  68 and name  HB# )  4.5  2.2  2.5 ! A.146  at 5.50e+05
assign (resid  37 and name  HB# ) (resid  69 and name   HN )  4.5  2.2  2.5 ! A.752  at 7.73e+05

! L38
assign (resid  38 and name   HG ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.1089 at 1.24e+06
assign (resid  38 and name  HB# ) (resid  38 and name   HN )  4.5  2.2  2.5 ! A.1087 at 5.20e+05
assign (resid  38 and name HD1# ) (resid  38 and name   HN )  3.5  1.2  1.0 ! A.1090 at 1.81e+06
assign (resid  38 and name   HN ) (resid  39 and name  HB2 )  4.5  2.2  2.0 ! A.1084 at 3.77e+05
assign (resid  38 and name   HN ) (resid  39 and name  HB1 )  4.5  2.2  2.0 ! A.1083 at 6.12e+05
assign (resid  38 and name   HG ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.873  at 1.46e+06
assign (resid  38 and name   HA ) (resid  39 and name   HN )  4.0  2.2  1.0 ! A.868  at 1.77e+06
assign (resid  38 and name HD1# ) (resid  39 and name   HN )  3.5  1.2  1.0 ! A.875  at 2.41e+06
assign (resid  38 and name  HB# ) (resid  40 and name   HN )  4.5  2.2  2.5 ! A.165  at 2.21e+05
assign (resid  38 and name   HA ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.160  at 2.34e+05
assign (resid  38 and name   HN ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.1076 at 3.75e+05
assign (resid  38 and name   HA ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1406 at 1.67e+05
assign (resid  38 and name   HG ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1417 at 3.18e+05
assign (resid  38 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1077 at 2.61e+05
assign (resid  38 and name   HA ) (resid  41 and name   HN )  3.5  1.2  0.5 ! A.1222 at 3.10e+06

! D39
assign (resid  39 and name  HB1 ) (resid  39 and name   HN )  2.5  0.7  0.4 ! A.869  at 1.23e+07
assign (resid  39 and name  HB2 ) (resid  39 and name   HN )  4.5  2.2  2.0 ! A.870  at 5.43e+05
assign (resid  39 and name  HB2 ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.163  at 4.14e+05
assign (resid  39 and name  HB1 ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.162  at 5.75e+06
assign (resid  39 and name   HA ) (resid  40 and name   HN )  3.5  1.2  0.5 ! A.156  at 1.97e+06
assign (resid  39 and name   HN ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.874  at 2.56e+05
assign (resid  39 and name   HN ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.863  at 1.16e+06
assign (resid  39 and name   HN ) (resid  41 and name  HB1 )  4.5  2.2  2.0 ! A.871  at 5.63e+05
assign (resid  39 and name   HA ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1220 at 4.72e+05
assign (resid  39 and name   HN ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.864  at 2.63e+05
assign (resid  39 and name  HB1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1299 at 7.85e+05
assign (resid  39 and name  HB2 ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.105  at 3.34e+05
assign (resid  39 and name   HN ) (resid  43 and name  HB# )  4.5  2.2  2.5 ! A.873  at 9.96e+05
assign (resid  39 and name  HB1 ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1177 at 3.19e+05

! A40
assign (resid  40 and name  HB# ) (resid  40 and name   HN )  2.5  0.7  0.9 ! A.168  at 2.02e+07
assign (resid  40 and name   HN ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.1217 at 7.48e+06
assign (resid  40 and name   HN ) (resid  41 and name   HA )  4.5  2.2  2.0 ! A.161  at 2.64e+05
assign (resid  40 and name   HA ) (resid  41 and name   HN )  3.5  1.2  0.5 ! A.1221 at 1.83e+06
assign (resid  40 and name   HN ) (resid  41 and name  HB1 )  4.5  2.2  2.0 ! A.164  at 7.29e+05
assign (resid  40 and name  HB# ) (resid  41 and name   HN )  2.5  0.7  0.9 ! A.1231 at 7.84e+06
assign (resid  40 and name   HN ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.155  at 4.04e+05
assign (resid  40 and name  HB# ) (resid  42 and name   HN )  4.5  2.2  2.5 ! A.1307 at 4.22e+05
assign (resid  40 and name   HA ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1295 at 4.83e+05
assign (resid  40 and name   HA ) (resid  43 and name   HN )  3.5  1.2  0.5 ! A.101  at 2.77e+06
assign (resid  40 and name   HN ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.95   at 6.96e+05
assign (resid  40 and name  HB# ) (resid  43 and name   HN )  4.5  2.2  2.5 ! A.113  at 3.36e+05
assign (resid  40 and name   HN ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.169  at 2.94e+05
assign (resid  40 and name   HN ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1167 at 4.81e+05

! Q41
assign (resid  41 and name  HB2 ) (resid  41 and name   HN )  3.5  1.2  0.5 ! A.1230 at 4.12e+06
assign (resid  41 and name HE21 ) (resid  41 and name   HN )  3.0  0.7  0.5 ! A.1218 at 4.19e+07
assign (resid  41 and name  HB1 ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.1227 at 9.55e+06
assign (resid  41 and name  HG1 ) (resid  41 and name   HN )  4.0  2.2  1.0 ! A.1225 at 1.39e+06
assign (resid  41 and name  HG2 ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1226 at 3.17e+05
assign (resid  41 and name   HA ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1407 at 8.63e+05
assign (resid  41 and name  HB2 ) (resid  41 and name HE21 )  4.0  2.2  1.0 ! A.1415 at 1.43e+06
assign (resid  41 and name  HB2 ) (resid  41 and name HE22 )  4.0  2.2  1.0 ! A.1416 at 1.40e+06
assign (resid  41 and name  HB1 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1410 at 2.54e+05
assign (resid  41 and name  HG1 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1409 at 2.44e+05
assign (resid  41 and name  HG1 ) (resid  41 and name HE22 )  3.5  1.2  0.5 ! A.1399 at 2.57e+06
assign (resid  41 and name  HB1 ) (resid  41 and name HE22 )  4.5  2.2  2.0 ! A.1411 at 4.92e+05
assign (resid  41 and name  HG2 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1400 at 3.20e+05
assign (resid  41 and name   HN ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.1219 at 6.49e+06
assign (resid  41 and name   HA ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1297 at 8.07e+05
assign (resid  41 and name  HG1 ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1300 at 1.73e+06
assign (resid  41 and name HE21 ) (resid  42 and name  HE1 )  4.5  2.2  2.0 ! A.1408 at 3.77e+05
assign (resid  41 and name  HB# ) (resid  42 and name   HN )  2.5  0.7  0.9 ! A.1301 at 6.26e+06
assign (resid  41 and name HE21 ) (resid  42 and name  HB2 )  4.5  2.2  2.0 ! A.1412 at 6.12e+05
assign (resid  41 and name  HG1 ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.106  at 2.62e+05
assign (resid  41 and name  HB1 ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.108  at 3.63e+05
assign (resid  41 and name   HA ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.104  at 2.82e+05
assign (resid  41 and name   HN ) (resid  46 and name  HG2 )  4.5  2.2  2.0 ! A.1228 at 8.35e+05

! K42
assign (resid  42 and name  HB2 ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.1303 at 5.14e+06
assign (resid  42 and name  HG1 ) (resid  42 and name   HN )  3.5  1.2  1.0 ! A.1306 at 3.90e+06
assign (resid  42 and name  HB1 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1302 at 4.14e+06
assign (resid  42 and name  HE1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1298 at 3.33e+05
assign (resid  42 and name  HD1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1304 at 1.68e+05
assign (resid  42 and name  HB2 ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.110  at 2.62e+05
assign (resid  42 and name  HB1 ) (resid  43 and name   HN )  4.0  1.2  1.0 ! A.109  at 4.13e+06
assign (resid  42 and name   HN ) (resid  43 and name   HN )  2.5  0.7  0.4 ! A.1291 at 8.19e+06
assign (resid  42 and name   HN ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.1292 at 3.20e+05
assign (resid  42 and name   HA ) (resid  43 and name   HN )  3.5  1.2  0.5 ! A.100  at 3.69e+06
assign (resid  42 and name   HA ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1172 at 3.57e+05
assign (resid  42 and name   HN ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1290 at 3.23e+05
assign (resid  42 and name   HN ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.1308 at 7.35e+05

! A43
assign (resid  43 and name  HB# ) (resid  43 and name   HN )  2.5  0.7  0.9 ! A.112  at 2.07e+07
assign (resid  43 and name   HN ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.114  at 3.80e+05
assign (resid  43 and name   HN ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1168 at 1.03e+06
assign (resid  43 and name   HN ) (resid  44 and name   HB )  4.5  2.2  2.0 ! A.99   at 2.97e+05
assign (resid  43 and name  HB# ) (resid  44 and name   HN )  2.5  0.7  0.9 ! A.1180 at 1.68e+07

! T44
assign (resid  44 and name   HB ) (resid  44 and name   HN )  2.5  0.7  0.4 ! A.1171 at 1.99e+07
assign (resid  44 and name HG2# ) (resid  44 and name   HN )  3.5  1.2  1.0 ! A.1181 at 4.46e+06
assign (resid  44 and name   HN ) (resid  45 and name  HD2 )  4.5  2.2  2.0 ! A.1176 at 2.31e+05
assign (resid  44 and name   HN ) (resid  46 and name  HG1 )  4.5  2.2  2.0 ! A.1178 at 4.87e+05

! P45
assign (resid  45 and name  HB2 ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.937  at 2.29e+05
assign (resid  45 and name  HB1 ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.935  at 2.40e+05
assign (resid  45 and name   HA ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.929  at 3.45e+05

! P46
assign (resid  46 and name  HD1 ) (resid  47 and name   HN )  4.0  2.2  1.0 ! A.1355 at 1.47e+06
assign (resid  46 and name  HG1 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1358 at 3.46e+06
assign (resid  46 and name  HB# ) (resid  47 and name   HN )  2.5  0.7  0.9 ! A.1357 at 5.08e+06
assign (resid  46 and name   HA ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.1153 at 1.68e+06
assign (resid  46 and name  HB# ) (resid  48 and name   HN )  4.5  2.2  2.5 ! A.1156 at 5.95e+05
assign (resid  46 and name  HD1 ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1155 at 1.36e+05
assign (resid  46 and name  HG2 ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1159 at 2.39e+05
assign (resid  46 and name  HG1 ) (resid  48 and name   HN )  3.5  1.2  0.5 ! A.1158 at 2.35e+06
assign (resid  46 and name   HA ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.930  at 8.73e+05

! K47
assign (resid  47 and name  HE1 ) (resid  47 and name   HN )  4.5  2.2  2.0 ! A.1356 at 2.92e+05
assign (resid  47 and name  HG1 ) (resid  47 and name   HN )  4.5  2.2  2.0 ! A.1360 at 4.81e+05
assign (resid  47 and name  HB# ) (resid  47 and name   HN )  2.5  0.7  0.9 ! A.1359 at 1.54e+07
assign (resid  47 and name   HN ) (resid  48 and name   HN )  2.5  0.7  0.4 ! A.1349 at 5.15e+06
assign (resid  47 and name  HB1 ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1161 at 3.13e+05
assign (resid  47 and name   HA ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1154 at 4.26e+05
assign (resid  47 and name   HN ) (resid  48 and name   HA )  4.5  2.2  2.0 ! A.1352 at 2.73e+05
assign (resid  47 and name   HN ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.1361 at 4.44e+05
assign (resid  47 and name  HD1 ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.1160 at 1.32e+06
assign (resid  47 and name   HA ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.931  at 3.48e+05
assign (resid  47 and name   HN ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.1350 at 3.72e+05
assign (resid  47 and name   HN ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1351 at 4.81e+05
assign (resid  47 and name  HG1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1458 at 7.50e+05
assign (resid  47 and name  HE1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1453 at 5.38e+05
assign (resid  47 and name  HD1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1456 at 2.72e+05
assign (resid  47 and name  HB1 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1457 at 3.75e+05
assign (resid  47 and name  HD1 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1413 at 5.43e+05
assign (resid  47 and name  HG1 ) (resid 102 and name HD22 )  4.0  2.2  1.0 ! A.1418 at 1.42e+06

! L48
assign (resid  48 and name HD2# ) (resid  48 and name   HN )  4.0  2.2  1.5 ! A.1166 at 1.31e+06
assign (resid  48 and name HD1# ) (resid  48 and name   HN )  3.5  1.2  1.0 ! A.1165 at 2.24e+06
assign (resid  48 and name  HB1 ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.1162 at 1.74e+06
assign (resid  48 and name   HG ) (resid  48 and name   HN )  2.5  0.7  0.4 ! A.1164 at 5.91e+06
assign (resid  48 and name   HN ) (resid  49 and name   HN )  3.0  0.7  0.4 ! A.1151 at 4.10e+06
assign (resid  48 and name HD2# ) (resid  49 and name   HN )  4.5  2.2  2.5 ! A.942  at 2.99e+05
assign (resid  48 and name  HB1 ) (resid  49 and name   HN )  4.5  2.2  2.0 ! A.938  at 6.10e+05
assign (resid  48 and name   HA ) (resid  49 and name   HN )  3.5  1.2  0.5 ! A.928  at 3.14e+06
assign (resid  48 and name   HN ) (resid  50 and name   HN )  4.5  2.2  2.0 ! A.1149 at 1.51e+05
assign (resid  48 and name  HB1 ) (resid  50 and name   HN )  4.5  2.2  2.0 ! A.1190 at 9.47e+05
assign (resid  48 and name HD2# ) (resid  51 and name   HN )  4.5  2.2  2.5 ! A.787  at 3.29e+05
assign (resid  48 and name  HB1 ) (resid  52 and name   HN )  4.0  1.2  0.5 ! A.1071 at 1.03e+06

! E49
assign (resid  49 and name  HG# ) (resid  49 and name   HN )  3.5  1.2  1.0 ! A.934  at 3.38e+06
assign (resid  49 and name  HB# ) (resid  49 and name   HN )  2.5  0.7  0.9 ! A.936  at 9.36e+06
assign (resid  49 and name   HN ) (resid  50 and name   HN )  3.5  1.2  0.5 ! A.1183 at 4.56e+06
assign (resid  49 and name   HN ) (resid  50 and name  HB# )  4.5  2.2  2.5 ! A.933  at 4.90e+05
assign (resid  49 and name  HB# ) (resid  50 and name   HN )  3.5  1.2  1.0 ! A.1188 at 4.92e+06
assign (resid  49 and name   HA ) (resid  50 and name   HN )  3.5  1.2  0.5 ! A.1185 at 3.86e+06
assign (resid  49 and name  HG# ) (resid  50 and name   HN )  3.5  1.2  1.0 ! A.1187 at 1.81e+06
assign (resid  49 and name   HN ) (resid  51 and name   HN )  4.5  2.2  2.0 ! A.927  at 3.31e+05
assign (resid  49 and name   HA ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.779  at 1.40e+06
assign (resid  49 and name   HN ) (resid  51 and name  HG1 )  4.0  2.2  1.0 ! A.940  at 1.57e+06
assign (resid  49 and name   HN ) (resid  51 and name  HD# )  4.5  2.2  2.5 ! A.939  at 4.85e+05

! D50
assign (resid  50 and name  HB# ) (resid  50 and name   HN )  2.5  0.7  0.9 ! A.1186 at 6.00e+06
assign (resid  50 and name  HB# ) (resid  51 and name   HN )  4.5  2.2  2.5 ! A.780  at 1.78e+05
assign (resid  50 and name   HN ) (resid  51 and name   HN )  2.5  0.7  0.4 ! A.1182 at 6.78e+06
assign (resid  50 and name   HN ) (resid  51 and name  HG# )  4.5  2.2  2.5 ! A.1191 at 9.75e+05
assign (resid  50 and name   HN ) (resid  52 and name   HN )  4.5  2.2  2.0 ! A.1062 at 5.49e+05
assign (resid  50 and name   HA ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1065 at 3.89e+06

! K51
assign (resid  51 and name  HD# ) (resid  51 and name   HN )  4.5  2.2  2.5 ! A.785  at 5.81e+05
assign (resid  51 and name  HB# ) (resid  51 and name   HN )  2.5  0.7  0.9 ! A.783  at 8.40e+06
assign (resid  51 and name  HG# ) (resid  51 and name   HN )  3.5  1.2  1.0 ! A.786  at 3.29e+06
assign (resid  51 and name   HN ) (resid  52 and name   HA )  4.5  2.2  2.0 ! A.774  at 1.68e+05
assign (resid  51 and name   HN ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1063 at 1.21e+06
assign (resid  51 and name   HN ) (resid  52 and name  HB2 )  4.5  2.2  2.0 ! A.778  at 2.87e+05
assign (resid  51 and name   HN ) (resid  52 and name  HB1 )  4.5  2.2  2.0 ! A.777  at 5.82e+05
assign (resid  51 and name  HG# ) (resid  52 and name   HN )  4.5  2.2  2.5 ! A.1072 at 9.67e+05
assign (resid  51 and name  HB# ) (resid  52 and name   HN )  3.5  0.7  0.9 ! A.1070 at 4.72e+06
assign (resid  51 and name   HA ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1065 at 4.29e+06
assign (resid  51 and name   HA ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1339 at 2.00e+05
assign (resid  51 and name  HB# ) (resid  55 and name   HN )  4.5  2.2  2.5 ! A.1128 at 4.03e+05
assign (resid  51 and name  HD# ) (resid  55 and name   HN )  4.5  2.2  2.5 ! A.1129 at 7.09e+05

! S52
assign (resid  52 and name  HB1 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1066 at 4.07e+06
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  2.5  0.7  0.4 ! A.1067 at 8.80e+06
assign (resid  52 and name   HN ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1335 at 5.80e+05
assign (resid  52 and name  HB1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1340 at 1.22e+06
assign (resid  52 and name  HB2 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1341 at 1.24e+06
assign (resid  52 and name   HN ) (resid  57 and name  HG# )  4.5  2.2  2.5 ! A.1069 at 3.27e+05

! P53
assign (resid  53 and name  HB1 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1346 at 4.19e+05
assign (resid  53 and name  HD1 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1342 at 1.45e+05
assign (resid  53 and name  HB2 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1347 at 5.52e+05
assign (resid  53 and name   HA ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.1122 at 1.01e+06

! D54
assign (resid  54 and name  HB# ) (resid  54 and name   HN )  3.5  1.2  1.0 ! A.1344 at 4.23e+06
assign (resid  54 and name  HB2 ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.1125 at 6.62e+05
assign (resid  54 and name   HN ) (resid  55 and name   HN )  2.5  0.7  0.4 ! A.1336 at 5.89e+06
assign (resid  54 and name   HA ) (resid  55 and name   HN )  3.5  1.2  0.5 ! A.1119 at 4.26e+06
assign (resid  54 and name   HN ) (resid  55 and name  HB2 )  4.0  2.2  1.0 ! A.1341 at 1.24e+06
assign (resid  54 and name   HN ) (resid  57 and name  HG# )  4.0  2.2  1.5 ! A.1345 at 1.15e+06
assign (resid  54 and name   HN ) (resid  57 and name   HN )  4.5  2.2  2.0 ! A.1334 at 3.18e+05
assign (resid  54 and name   HN ) (resid  57 and name  HB2 )  3.5  1.2  0.5 ! A.1348 at 1.93e+06
assign (resid  54 and name   HN ) (resid  58 and name  HG1 )  4.0  1.2  0.5 ! A.1343 at 1.41e+06

! S55
assign (resid  55 and name  HB1 ) (resid  55 and name   HN )  3.5  1.2  0.5 ! A.1078 at 4.29e+06
assign (resid  55 and name  HB2 ) (resid  55 and name   HN )  3.5  1.2  0.5 ! A.1123 at 4.22e+06
assign (resid  55 and name   HN ) (resid  57 and name  HB1 )  3.5  1.2  0.5 ! A.1127 at 3.89e+06
assign (resid  55 and name   HN ) (resid  57 and name   HN )  4.5  2.2  2.0 ! A.1117 at 3.45e+05
assign (resid  55 and name   HN ) (resid  57 and name  HG# )  4.5  2.2  2.5 ! A.1126 at 2.11e+05
assign (resid  55 and name   HA ) (resid  57 and name   HN )  3.5  1.2  0.5 ! A.1136 at 3.59e+06
assign (resid  55 and name   HN ) (resid  57 and name  HB2 )  4.0  2.2  1.0 ! A.1085 at 1.11e+06
assign (resid  55 and name  HB2 ) (resid  57 and name   HN )  3.5  1.2  0.5 ! A.1139 at 4.61e+06

! P56
assign (resid  56 and name  HB1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.447  at 1.46e+06
assign (resid  56 and name  HB2 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.519  at 2.26e+05

! E57
assign (resid  57 and name  HB1 ) (resid  57 and name   HN )  3.5  1.2  0.5 ! A.1144 at 1.98e+06
assign (resid  57 and name  HB2 ) (resid  57 and name   HN )  2.5  0.7  0.4 ! A.1146 at 1.13e+07
assign (resid  57 and name  HG# ) (resid  57 and name   HN )  3.5  1.2  1.0 ! A.1142 at 4.50e+06
assign (resid  57 and name   HN ) (resid  58 and name   HN )  3.5  1.2  0.5 ! A.1133 at 3.58e+06
assign (resid  57 and name   HN ) (resid  58 and name   HA )  4.5  2.2  2.0 ! A.1135 at 4.00e+05
assign (resid  57 and name   HA ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.631  at 1.44e+06
assign (resid  57 and name   HN ) (resid  58 and name  HG1 )  4.5  2.2  2.0 ! A.1140 at 3.77e+05
assign (resid  57 and name   HN ) (resid  59 and name   HN )  4.5  2.2  2.0 ! A.1132 at 4.40e+05
assign (resid  57 and name   HN ) (resid  59 and name  HG1 )  4.5  2.2  2.0 ! A.1148 at 2.38e+05
assign (resid  57 and name   HN ) (resid  59 and name  HB2 )  4.5  2.2  2.0 ! A.1147 at 3.23e+05
assign (resid  57 and name   HN ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.1131 at 9.07e+05
assign (resid  57 and name  HG# ) (resid  61 and name   HN )  4.5  2.2  2.5 ! A.347  at 2.18e+05
assign (resid  57 and name   HN ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.1134 at 2.12e+05

! M58
assign (resid  58 and name  HG2 ) (resid  58 and name   HN )  4.5  2.2  2.0 ! A.638  at 6.00e+05
assign (resid  58 and name  HB2 ) (resid  58 and name   HN )  2.5  0.7  0.4 ! A.643  at 5.63e+06
assign (resid  58 and name  HG1 ) (resid  58 and name   HN )  4.0  2.2  1.0 ! A.637  at 1.23e+06
assign (resid  58 and name  HB# ) (resid  58 and name   HN )  3.5  1.2  1.0 ! A.641  at 4.22e+06
assign (resid  58 and name   HA ) (resid  59 and name   HN )  3.5  1.2  0.5 ! A.445  at 2.84e+06
assign (resid  58 and name  HG2 ) (resid  59 and name   HN )  4.5  2.2  2.0 ! A.446  at 3.50e+05
assign (resid  58 and name  HG1 ) (resid  59 and name   HN )  4.0  2.2  1.0 ! A.325  at 1.23e+06
assign (resid  58 and name   HN ) (resid  59 and name   HN )  2.5  0.7  0.4 ! A.624  at 6.13e+06
assign (resid  58 and name   HN ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.625  at 1.21e+06
assign (resid  58 and name   HN ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.634  at 1.82e+05
assign (resid  58 and name   HN ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.628  at 2.56e+05
assign (resid  58 and name   HA ) (resid  61 and name   HN )  3.5  1.2  0.5 ! A.340  at 3.26e+06
assign (resid  58 and name  HB1 ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.921  at 3.34e+06
assign (resid  58 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.910  at 1.42e+06

! K59
assign (resid  59 and name  HG# ) (resid  59 and name   HN )  3.5  1.2  1.0 ! A.450  at 3.57e+06
assign (resid  59 and name  HB# ) (resid  59 and name   HN )  2.5  0.7  0.9 ! A.448  at 7.54e+06
assign (resid  59 and name  HG1 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.521  at 7.66e+05
assign (resid  59 and name  HD1 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.520  at 1.07e+06
assign (resid  59 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.913  at 1.43e+06
assign (resid  59 and name   HN ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.413  at 7.53e+05
assign (resid  59 and name   HA ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.744  at 1.12e+06
assign (resid  59 and name  HD# ) (resid  63 and name   HN )  4.0  2.2  1.5 ! A.769  at 1.18e+06

! D60
assign (resid  60 and name  HB1 ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.518  at 1.38e+07
assign (resid  60 and name   HN ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.336  at 7.31e+06
assign (resid  60 and name  HB2 ) (resid  62 and name   HN )  4.5  2.2  2.0 ! A.920  at 1.30e+05
assign (resid  60 and name  HB# ) (resid  63 and name   HN )  4.5  2.2  2.5 ! A.766  at 5.81e+05
assign (resid  60 and name   HN ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1570 at 4.67e+05
assign (resid  60 and name   HA ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1579 at 4.83e+05
assign (resid  60 and name  HB2 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1586 at 4.11e+05
assign (resid  60 and name   HN ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.513  at 3.42e+05

! F61
assign (resid  61 and name  HB1 ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.345  at 6.35e+06
assign (resid  61 and name  HE1 ) (resid  62 and name   HN )  4.5  2.2  2.0 ! A.906  at 3.61e+05
assign (resid  61 and name  HB2 ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.918  at 2.15e+06
assign (resid  61 and name   HN ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.904  at 3.68e+06
assign (resid  61 and name  HD1 ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.909  at 2.50e+06
assign (resid  61 and name  HB1 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.765  at 2.09e+05
assign (resid  61 and name   HN ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.758  at 4.73e+05
assign (resid  61 and name   HN ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1571 at 2.40e+05
assign (resid  61 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.972  at 2.57e+05

! R62
assign (resid  62 and name  HD1 ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.916  at 1.14e+06
assign (resid  62 and name  HD2 ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.917  at 3.88e+06
assign (resid  62 and name  HG# ) (resid  62 and name   HN )  2.5  1.2  1.0 ! A.922  at 4.70e+06
assign (resid  62 and name  HD2 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.764  at 5.31e+05
assign (resid  62 and name  HB# ) (resid  63 and name   HN )  4.5  2.2  2.5 ! A.767  at 2.84e+05
assign (resid  62 and name   HN ) (resid  63 and name   HN )  3.5  1.2  0.5 ! A.738  at 4.47e+06
assign (resid  62 and name   HA ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.745  at 6.13e+05
assign (resid  62 and name   HA ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1582 at 3.95e+05
assign (resid  62 and name  HB# ) (resid  64 and name   HN )  4.5  2.2  2.5 ! A.1588 at 4.12e+05
assign (resid  62 and name   HN ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1569 at 2.61e+05
assign (resid  62 and name  HB# ) (resid  65 and name   HN )  4.5  2.2  2.5 ! A.988  at 4.75e+05
assign (resid  62 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.908  at 1.87e+05
assign (resid  62 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.982  at 9.22e+05
assign (resid  62 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.970  at 2.64e+05
assign (resid  62 and name   HN ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.905  at 2.71e+05
assign (resid  62 and name   HA ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.473  at 2.25e+05

! H63
assign (resid  63 and name  HB# ) (resid  63 and name   HN )  2.5  0.7  0.9 ! A.747  at 1.65e+07
assign (resid  63 and name   HN ) (resid  64 and name   HN )  3.5  1.2  0.5 ! A.1568 at 3.48e+06
assign (resid  63 and name   HA ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.1578 at 1.77e+06
assign (resid  63 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.761  at 2.44e+05
assign (resid  63 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.969  at 2.91e+05
assign (resid  63 and name  HB1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.475  at 4.29e+05
assign (resid  63 and name   HA ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.470  at 2.79e+06
assign (resid  63 and name   HN ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.759  at 1.64e+05
assign (resid  63 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.701  at 4.25e+05

! G64
assign (resid  64 and name   HN ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.1575 at 3.91e+06
assign (resid  64 and name  HA1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.981  at 2.57e+05
assign (resid  64 and name   HN ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1587 at 2.22e+05
assign (resid  64 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.1576 at 4.28e+05
assign (resid  64 and name  HA2 ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.983  at 2.21e+06
assign (resid  64 and name   HN ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1585 at 6.81e+05
assign (resid  64 and name   HN ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.1572 at 3.12e+05
assign (resid  64 and name  HA2 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.474  at 7.62e+05
assign (resid  64 and name   HN ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.1573 at 4.65e+05
assign (resid  64 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.1590 at 1.97e+05
assign (resid  64 and name   HN ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.1589 at 8.22e+05
assign (resid  64 and name   HN ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.1574 at 2.60e+05
assign (resid  64 and name   HN ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.1577 at 3.73e+05

! F65
assign (resid  65 and name  HE1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.976  at 9.50e+05
assign (resid  65 and name  HD1 ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.977  at 3.17e+06
assign (resid  65 and name  HB2 ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.987  at 3.07e+06
assign (resid  65 and name  HB1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.985  at 4.59e+05
assign (resid  65 and name  HD1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.468  at 4.47e+05
assign (resid  65 and name   HZ ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.469  at 3.43e+05
assign (resid  65 and name   HN ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.973  at 4.36e+06
assign (resid  65 and name  HE1 ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.466  at 2.03e+06
assign (resid  65 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.472  at 1.44e+06
assign (resid  65 and name  HD1 ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.700  at 2.40e+05
assign (resid  65 and name   HN ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.974  at 6.73e+05
assign (resid  65 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.703  at 3.59e+05
assign (resid  65 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.990  at 5.22e+05
assign (resid  65 and name   HN ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.989  at 7.31e+05
assign (resid  65 and name   HN ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.394  at 4.27e+05
assign (resid  65 and name  HB2 ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.402  at 4.23e+05

! D66
assign (resid  66 and name  HB2 ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.477  at 4.31e+06
assign (resid  66 and name  HB1 ) (resid  66 and name   HN )  2.5  0.7  0.4 ! A.476  at 7.35e+06
assign (resid  66 and name   HN ) (resid  67 and name   HN )  3.5  1.2  0.5 ! A.697  at 3.34e+06
assign (resid  66 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.480  at 2.84e+05
assign (resid  66 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.702  at 9.72e+05
assign (resid  66 and name   HN ) (resid  67 and name   HB )  4.0  2.2  1.0 ! A.479  at 1.33e+06
assign (resid  66 and name   HA ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.396  at 3.01e+05
assign (resid  66 and name   HN ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.391  at 6.26e+05
assign (resid  66 and name   HN ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.481  at 2.20e+05
assign (resid  66 and name   HA ) (resid  69 and name   HN )  3.5  1.2  0.5 ! A.743  at 1.92e+06
assign (resid  66 and name   HN ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.462  at 5.08e+05

! I67
assign (resid  67 and name HG11 ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.711  at 7.20e+06
assign (resid  67 and name HG12 ) (resid  67 and name   HN )  3.5  1.2  0.5 ! A.712  at 4.10e+06
assign (resid  67 and name   HB ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.710  at 1.13e+07
assign (resid  67 and name HG2# ) (resid  67 and name   HN )  4.5  2.2  2.5 ! A.713  at 2.16e+05
assign (resid  67 and name   HN ) (resid  68 and name   HN )  3.5  1.2  0.5 ! A.698  at 4.90e+06
assign (resid  67 and name HG11 ) (resid  68 and name   HN )  3.5  1.2  0.5 ! A.407  at 2.12e+06
assign (resid  67 and name   HA ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.399  at 1.32e+06
assign (resid  67 and name   HN ) (resid  68 and name   HA )  4.5  2.2  2.0 ! A.704  at 3.23e+05
assign (resid  67 and name   HN ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.740  at 2.92e+05
assign (resid  67 and name   HA ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.746  at 2.55e+05
assign (resid  67 and name   HN ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1553 at 5.55e+05
assign (resid  67 and name HG2# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.1567 at 9.91e+05
assign (resid  67 and name   HA ) (resid  70 and name   HN )  4.0  2.2  1.0 ! A.1558 at 1.43e+06
assign (resid  67 and name HG11 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1565 at 5.70e+05
assign (resid  67 and name HG2# ) (resid  71 and name   HN )  3.5  1.2  1.0 ! A.540  at 2.23e+06
assign (resid  67 and name   HA ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.531  at 6.01e+05
assign (resid  67 and name   HA ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1513 at 2.72e+05
assign (resid  67 and name HG2# ) (resid  71 and name HE21 )  2.5  0.7  0.9 ! A.1529 at 6.06e+06
assign (resid  67 and name   HB ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1522 at 3.68e+05
assign (resid  67 and name   HB ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1523 at 4.62e+05

! L68
assign (resid  68 and name HD1# ) (resid  68 and name   HN )  3.5  1.2  1.0 ! A.410  at 4.82e+06
assign (resid  68 and name   HG ) (resid  68 and name   HN )  3.5  1.2  0.5 ! A.406  at 4.27e+06
assign (resid  68 and name HD2# ) (resid  68 and name   HN )  3.5  1.2  1.0 ! A.411  at 2.61e+06
assign (resid  68 and name  HB# ) (resid  68 and name   HN )  2.5  0.7  0.9 ! A.405  at 1.09e+07
assign (resid  68 and name   HN ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.741  at 5.31e+05
assign (resid  68 and name HD2# ) (resid  69 and name   HN )  4.5  2.2  2.5 ! A.755  at 2.38e+05
assign (resid  68 and name HD1# ) (resid  69 and name   HN )  4.5  2.2  2.5 ! A.754  at 2.29e+05
assign (resid  68 and name   HG ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.752  at 8.73e+05
assign (resid  68 and name   HN ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1554 at 2.68e+05
assign (resid  68 and name   HG ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.538  at 2.24e+05
assign (resid  68 and name   HN ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.403  at 2.65e+05
assign (resid  68 and name   HA ) (resid  71 and name   HN )  3.5  1.2  0.5 ! A.529  at 3.39e+06
assign (resid  68 and name   HN ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.395  at 2.02e+05
assign (resid  68 and name   HN ) (resid  71 and name  HB# )  4.5  2.2  2.5 ! A.404  at 2.54e+05
assign (resid  68 and name HD2# ) (resid  71 and name HE22 )  4.5  2.2  2.5 ! A.1534 at 6.78e+05
assign (resid  68 and name HD2# ) (resid  71 and name HE21 )  4.5  2.2  2.5 ! A.1533 at 6.14e+05
assign (resid  68 and name   HG ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1525 at 2.49e+05
assign (resid  68 and name   HG ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1524 at 3.00e+05
assign (resid  68 and name   HA ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1509 at 4.97e+05
assign (resid  68 and name HD1# ) (resid  71 and name HE22 )  2.5  0.7  0.9 ! A.1530 at 5.51e+06
assign (resid  68 and name  HB# ) (resid  71 and name HE22 )  4.5  2.2  2.5 ! A.1522 at 3.68e+05
assign (resid  68 and name  HB# ) (resid  71 and name HE21 )  4.5  2.2  2.5 ! A.1523 at 4.62e+05
assign (resid  68 and name   HG ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.41   at 2.40e+05
assign (resid  68 and name  HB# ) (resid  72 and name   HN )  4.5  2.2  2.5 ! A.39   at 1.62e+05
assign (resid  68 and name   HA ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.27   at 4.77e+05

! V69
assign (resid  69 and name HG2# ) (resid  69 and name   HN )  2.5  0.7  0.9 ! A.753  at 1.25e+07
assign (resid  69 and name   HN ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.1550 at 3.59e+06
assign (resid  69 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1559 at 9.44e+05
assign (resid  69 and name HG2# ) (resid  70 and name   HN )  3.5  1.2  1.0 ! A.1566 at 3.60e+06
assign (resid  69 and name   HB ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.1563 at 4.57e+06
assign (resid  69 and name   HN ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.749  at 2.24e+05
assign (resid  69 and name   HN ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1496 at 1.98e+05
assign (resid  69 and name   HA ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1514 at 2.51e+05
assign (resid  69 and name   HN ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.552  at 8.07e+05
assign (resid  69 and name   HA ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.30   at 3.71e+05
assign (resid  69 and name   HA ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.293  at 1.81e+06

! G70
assign (resid  70 and name  HA# ) (resid  71 and name   HN )  3.5  1.2  1.0 ! A.530  at 3.16e+06
assign (resid  70 and name   HN ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.1562 at 6.85e+05
assign (resid  70 and name   HN ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1555 at 5.47e+05
assign (resid  70 and name   HN ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.1552 at 5.74e+06
assign (resid  70 and name  HA# ) (resid  72 and name   HN )  4.5  2.2  2.5 ! A.28   at 3.17e+05
assign (resid  70 and name   HN ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.20   at 8.36e+05
assign (resid  70 and name   HN ) (resid  73 and name  HB2 )  4.5  2.2  2.0 ! A.1561 at 6.64e+05
assign (resid  70 and name   HN ) (resid  73 and name  HB1 )  4.5  2.2  2.0 ! A.1560 at 7.12e+05
assign (resid  70 and name  HA# ) (resid  74 and name   HN )  4.5  2.2  2.5 ! A.195  at 6.54e+05

! Q71
assign (resid  71 and name HE21 ) (resid  71 and name   HN )  3.0  0.7  0.5 ! A.526  at 5.46e+06
assign (resid  71 and name  HB# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.537  at 1.33e+06
assign (resid  71 and name HE22 ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.527  at 2.23e+05
assign (resid  71 and name  HG1 ) (resid  71 and name HE21 )  3.5  1.2  0.5 ! A.1515 at 3.78e+06
assign (resid  71 and name  HB# ) (resid  71 and name HE21 )  4.0  2.2  1.5 ! A.1518 at 1.14e+06
assign (resid  71 and name  HB# ) (resid  71 and name HE22 )  4.5  2.2  2.5 ! A.1519 at 8.13e+05
assign (resid  71 and name  HG2 ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1517 at 3.34e+05
assign (resid  71 and name   HA ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1506 at 2.42e+05
assign (resid  71 and name   HA ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1505 at 3.92e+05
assign (resid  71 and name  HG# ) (resid  71 and name   HN )  2.5  0.7  0.9 ! A.534  at 6.24e+06
assign (resid  71 and name  HG1 ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.535  at 1.08e+07
assign (resid  71 and name  HG2 ) (resid  71 and name HE22 )  3.5  1.2  0.5 ! A.1516 at 2.64e+06
assign (resid  71 and name  HG1 ) (resid  71 and name HE22 )  3.5  1.2  0.5 ! A.1516 at 2.64e+06
assign (resid  71 and name   HN ) (resid  72 and name   HN )  3.5  1.2  0.5 ! A.523  at 4.56e+06
assign (resid  71 and name  HG1 ) (resid  72 and name   HN )  3.5  1.2  0.5 ! A.34   at 2.61e+06
assign (resid  71 and name   HA ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.26   at 1.09e+06
assign (resid  71 and name  HG2 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.35   at 3.20e+05
assign (resid  71 and name HE21 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.1497 at 2.14e+05
assign (resid  71 and name HE22 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.24   at 3.42e+05
assign (resid  71 and name   HN ) (resid  72 and name HG11 )  4.0  2.2  1.0 ! A.539  at 1.48e+06
assign (resid  71 and name   HN ) (resid  72 and name   HB )  3.5  1.2  0.5 ! A.536  at 3.84e+06
assign (resid  71 and name   HN ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.522  at 8.05e+05
assign (resid  71 and name   HN ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.524  at 3.98e+05
assign (resid  71 and name  HB# ) (resid  74 and name   HN )  4.5  2.2  2.5 ! A.203  at 1.05e+06
assign (resid  71 and name  HG2 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.231  at 3.46e+05
assign (resid  71 and name  HB# ) (resid  75 and name   HN )  4.5  2.2  2.5 ! A.68   at 1.10e+06
assign (resid  71 and name HE22 ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.1532 at 4.73e+05
assign (resid  71 and name HE22 ) (resid  94 and name  HB1 )  4.5  2.2  2.0 ! A.1521 at 5.81e+05
assign (resid  71 and name HE21 ) (resid  94 and name  HB1 )  4.5  2.2  2.0 ! A.1520 at 3.50e+05
assign (resid  71 and name HE21 ) (resid  94 and name   HA )  4.5  2.2  2.0 ! A.1508 at 4.11e+05
assign (resid  71 and name HE22 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.1530 at 3.51e+06
assign (resid  71 and name HE21 ) (resid  94 and name HD1# )  3.0  0.7  0.9 ! A.1529 at 6.06e+06
assign (resid  71 and name HE22 ) (resid  94 and name  HB2 )  4.5  2.2  2.0 ! A.1522 at 3.68e+05
assign (resid  71 and name HE21 ) (resid  94 and name  HB2 )  4.5  2.2  2.0 ! A.1523 at 4.62e+05
assign (resid  71 and name HE22 ) (resid  97 and name   HA )  4.5  2.2  2.0 ! A.1510 at 3.78e+05
assign (resid  71 and name HE21 ) (resid  97 and name   HB )  4.5  2.2  2.0 ! A.1507 at 3.55e+05
assign (resid  71 and name HE21 ) (resid  97 and name HG2# )  4.5  2.2  2.5 ! A.1526 at 3.43e+05
assign (resid  71 and name HE22 ) (resid  97 and name HG2# )  4.5  2.2  2.5 ! A.1527 at 4.49e+05
assign (resid  71 and name HE22 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1495 at 4.20e+05
assign (resid  71 and name HE21 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1494 at 1.65e+05
assign (resid  71 and name HE21 ) (resid  98 and name   HA )  4.5  2.2  2.0 ! A.1511 at 3.73e+05
assign (resid  71 and name HE22 ) (resid  98 and name HG2# )  4.5  2.2  2.5 ! A.1528 at 3.18e+05
assign (resid  71 and name HE21 ) (resid  98 and name HG2# )  2.5  0.7  0.9 ! A.1529 at 6.06e+06
assign (resid  71 and name HE22 ) (resid  98 and name   HB )  4.5  2.2  2.0 ! A.1522 at 3.68e+05

! I72
assign (resid  72 and name   HB ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.37   at 1.03e+07
assign (resid  72 and name HG11 ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.42   at 7.28e+06
assign (resid  72 and name   HN ) (resid  73 and name  HB1 )  4.5  2.2  2.0 ! A.31   at 3.46e+05
assign (resid  72 and name   HN ) (resid  73 and name   HA )  4.5  2.2  2.0 ! A.25   at 3.37e+05
assign (resid  72 and name   HN ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.756  at 7.30e+05
assign (resid  72 and name   HB ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.280  at 8.43e+06
assign (resid  72 and name   HA ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.293  at 1.81e+06
assign (resid  72 and name   HN ) (resid  74 and name  HB1 )  4.5  2.2  2.0 ! A.32   at 9.57e+05
assign (resid  72 and name   HA ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.229  at 2.28e+05
assign (resid  72 and name HG11 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.233  at 2.12e+05
assign (resid  72 and name   HN ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.224  at 4.14e+05
assign (resid  72 and name   HN ) (resid  74 and name  HB2 )  4.5  2.2  2.0 ! A.33   at 6.91e+05
assign (resid  72 and name   HN ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.54   at 2.76e+05
assign (resid  72 and name   HN ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.40   at 4.38e+05
assign (resid  72 and name   HA ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.64   at 1.62e+06
assign (resid  72 and name   HN ) (resid  94 and name HD1# )  3.0  0.7  0.9 ! A.43   at 5.29e+06
assign (resid  72 and name   HN ) (resid  94 and name  HB1 )  4.5  2.2  2.0 ! A.38   at 1.80e+05

! D73
assign (resid  73 and name  HB1 ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.294  at 7.44e+06
assign (resid  73 and name  HB2 ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.296  at 6.12e+06
assign (resid  73 and name   HN ) (resid  74 and name   HN )  3.5  1.2  0.5 ! A.223  at 4.93e+06
assign (resid  73 and name   HN ) (resid  74 and name   HA )  4.5  2.2  2.0 ! A.292  at 1.53e+05
assign (resid  73 and name   HA ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.59   at 3.92e+05
assign (resid  73 and name   HN ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.297  at 1.02e+06
assign (resid  73 and name   HN ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.273  at 1.33e+06
assign (resid  73 and name   HA ) (resid  76 and name   HN )  3.5  1.2  0.5 ! A.554  at 1.87e+06

! D74
assign (resid  74 and name  HB2 ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.230  at 8.71e+06
assign (resid  74 and name  HB1 ) (resid  74 and name   HN )  2.5  0.7  0.4 ! A.201  at 1.45e+07
assign (resid  74 and name   HN ) (resid  75 and name   HN )  2.5  0.7  0.4 ! A.55   at 7.13e+06
assign (resid  74 and name   HA ) (resid  75 and name   HN )  3.5  1.2  0.5 ! A.60   at 1.91e+06
assign (resid  74 and name  HB2 ) (resid  75 and name   HN )  3.5  1.2  0.5 ! A.66   at 3.53e+06
assign (resid  74 and name  HB1 ) (resid  75 and name   HN )  3.5  1.2  0.5 ! A.65   at 4.76e+06
assign (resid  74 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.555  at 2.44e+05
assign (resid  74 and name   HN ) (resid  76 and name  HB1 )  4.5  2.2  2.0 ! A.203  at 5.05e+05
assign (resid  74 and name   HN ) (resid  77 and name  HD1 )  4.5  2.2  2.0 ! A.232  at 5.43e+05
assign (resid  74 and name   HN ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.563  at 1.14e+06
assign (resid  74 and name  HB2 ) (resid  77 and name   HN )  4.5  2.2  2.0 ! A.571  at 3.76e+05
assign (resid  74 and name   HA ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.565  at 2.95e+06
assign (resid  74 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1029 at 1.09e+05
assign (resid  74 and name   HA ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1032 at 5.53e+05

! A75
assign (resid  75 and name  HB# ) (resid  75 and name   HN )  2.5  0.7  0.9 ! A.71   at 1.69e+07
assign (resid  75 and name   HN ) (resid  76 and name   HA )  4.5  2.2  2.0 ! A.63   at 4.93e+05
assign (resid  75 and name   HN ) (resid  76 and name  HB# )  4.5  2.2  2.5 ! A.68   at 4.70e+05
assign (resid  75 and name   HN ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.53   at 5.02e+06
assign (resid  75 and name   HA ) (resid  76 and name   HN )  3.5  1.2  0.5 ! A.544  at 4.14e+06
assign (resid  75 and name   HN ) (resid  77 and name  HD1 )  4.5  2.2  2.0 ! A.70   at 3.29e+05
assign (resid  75 and name  HB# ) (resid  77 and name   HN )  3.5  1.2  1.0 ! A.574  at 4.07e+06
assign (resid  75 and name   HN ) (resid  78 and name  HB2 )  4.5  2.2  2.0 ! A.69   at 3.66e+05
assign (resid  75 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.58   at 6.38e+05
assign (resid  75 and name   HN ) (resid  79 and name   HN )  4.5  2.2  2.0 ! A.56   at 3.52e+05
assign (resid  75 and name   HN ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.74   at 2.66e+05
assign (resid  75 and name   HN ) (resid  94 and name HD1# )  4.0  2.2  1.5 ! A.73   at 1.41e+06

! L76
assign (resid  76 and name HD2# ) (resid  76 and name   HN )  3.5  1.2  1.0 ! A.560  at 4.36e+06
assign (resid  76 and name  HB1 ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.557  at 9.70e+06
assign (resid  76 and name HD1# ) (resid  76 and name   HN )  4.0  2.2  1.5 ! A.559  at 1.18e+06
assign (resid  76 and name HD2# ) (resid  77 and name   HN )  4.5  2.2  2.5 ! A.577  at 5.12e+05
assign (resid  76 and name   HN ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.561  at 4.83e+06
assign (resid  76 and name HD1# ) (resid  77 and name   HN )  4.5  2.2  2.5 ! A.576  at 7.27e+05
assign (resid  76 and name  HB1 ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.572  at 1.15e+07
assign (resid  76 and name   HA ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.375  at 1.38e+06
assign (resid  76 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1027 at 4.14e+05
assign (resid  76 and name   HA ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1035 at 2.93e+05
assign (resid  76 and name  HB1 ) (resid  78 and name   HN )  4.0  2.2  1.0 ! A.1039 at 1.39e+06
assign (resid  76 and name   HN ) (resid  79 and name  HB# )  4.5  2.2  2.5 ! A.558  at 3.02e+05
assign (resid  76 and name   HN ) (resid  79 and name   HN )  4.5  2.2  2.0 ! A.614  at 3.11e+05
assign (resid  76 and name   HA ) (resid  79 and name   HN )  3.5  1.2  0.5 ! A.455  at 2.63e+06
assign (resid  76 and name  HB1 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1023 at 4.16e+05
assign (resid  76 and name   HN ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1009 at 4.33e+05
assign (resid  76 and name   HG ) (resid  80 and name HD22 )  4.0  2.2  1.0 ! A.1442 at 1.15e+06
assign (resid  76 and name   HG ) (resid  80 and name   HN )  3.5  1.2  0.5 ! A.923  at 1.90e+06
assign (resid  76 and name   HG ) (resid  80 and name HD21 )  3.5  1.2  0.5 ! A.1431 at 3.02e+06
assign (resid  76 and name   HA ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.999  at 2.14e+05

! K77
assign (resid  77 and name  HB1 ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.573  at 1.09e+07
assign (resid  77 and name  HG1 ) (resid  77 and name   HN )  4.0  1.2  1.0 ! A.575  at 2.33e+06
assign (resid  77 and name  HE1 ) (resid  77 and name   HN )  4.5  2.2  2.0 ! A.568  at 6.50e+05
assign (resid  77 and name   HN ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.1031 at 6.62e+06
assign (resid  77 and name  HD1 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.1042 at 6.90e+06
assign (resid  77 and name   HN ) (resid  80 and name  HB1 )  4.5  2.2  2.0 ! A.569  at 5.22e+05
assign (resid  77 and name   HN ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.562  at 9.75e+05
assign (resid  77 and name  HB1 ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1441 at 3.19e+05
assign (resid  77 and name  HE1 ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1439 at 1.67e+05
assign (resid  77 and name   HA ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1438 at 4.04e+05
assign (resid  77 and name   HA ) (resid  80 and name   HN )  3.5  1.2  0.5 ! A.1016 at 4.69e+06
assign (resid  77 and name   HA ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.998  at 9.86e+05

! L78
assign (resid  78 and name  HB1 ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1038 at 7.21e+05
assign (resid  78 and name  HB2 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.1041 at 1.42e+07
assign (resid  78 and name   HG ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1044 at 4.26e+05
assign (resid  78 and name HD2# ) (resid  78 and name   HN )  4.0  2.2  1.5 ! A.1046 at 1.51e+06
assign (resid  78 and name   HN ) (resid  79 and name   HN )  2.5  0.7  0.4 ! A.1030 at 5.62e+06
assign (resid  78 and name   HN ) (resid  79 and name  HB# )  3.5  1.2  1.0 ! A.1045 at 2.26e+06
assign (resid  78 and name   HN ) (resid  79 and name   HA )  4.5  2.2  2.0 ! A.1036 at 2.93e+05
assign (resid  78 and name  HB2 ) (resid  79 and name   HN )  3.5  1.2  0.5 ! A.457  at 2.71e+06
assign (resid  78 and name HD1# ) (resid  79 and name   HN )  4.0  2.2  1.5 ! A.618  at 1.45e+06
assign (resid  78 and name  HB1 ) (resid  79 and name   HN )  2.5  0.7  0.4 ! A.606  at 5.05e+06
assign (resid  78 and name  HB1 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.1021 at 1.63e+06
assign (resid  78 and name   HN ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1028 at 3.09e+05
assign (resid  78 and name   HN ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.994  at 2.37e+05
assign (resid  78 and name HD1# ) (resid  81 and name   HN )  4.5  2.2  2.5 ! A.1008 at 6.37e+05
assign (resid  78 and name   HA ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.998  at 1.86e+06
assign (resid  78 and name HD1# ) (resid  82 and name   HN )  4.5  2.2  2.5 ! A.1549 at 4.94e+05
assign (resid  78 and name   HA ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1542 at 3.18e+05
assign (resid  78 and name HD1# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.316  at 1.64e+06
assign (resid  78 and name HD1# ) (resid  87 and name   HN )  4.0  2.2  1.5 ! A.133  at 1.27e+06
assign (resid  78 and name HD1# ) (resid  90 and name   HN )  4.5  2.2  2.5 ! A.350  at 1.04e+06

! A79
assign (resid  79 and name  HB# ) (resid  79 and name   HN )  2.5  0.7  0.9 ! A.617  at 1.75e+07
assign (resid  79 and name   HN ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.1010 at 5.94e+06
assign (resid  79 and name   HA ) (resid  80 and name   HN )  3.5  1.2  0.5 ! A.1018 at 2.19e+06
assign (resid  79 and name  HB# ) (resid  80 and name   HN )  2.5  0.7  0.9 ! A.1025 at 9.84e+06
assign (resid  79 and name  HB# ) (resid  81 and name   HN )  4.5  2.2  2.5 ! A.1007 at 4.37e+05
assign (resid  79 and name  HB# ) (resid  82 and name   HN )  4.0  2.2  1.5 ! A.1548 at 1.70e+06
assign (resid  79 and name   HA ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.8    at 2.70e+05
assign (resid  79 and name   HA ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.658  at 3.86e+05
assign (resid  79 and name   HA ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.431  at 4.42e+05
assign (resid  79 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.306  at 1.19e+05
assign (resid  79 and name  HB# ) (resid  87 and name   HN )  4.5  2.2  2.5 ! A.131  at 2.37e+05
assign (resid  79 and name   HA ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.123  at 4.22e+05

! N80
assign (resid  80 and name HD22 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1013 at 3.26e+05
assign (resid  80 and name  HB1 ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.1019 at 1.18e+07
assign (resid  80 and name  HB2 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1020 at 1.83e+05
assign (resid  80 and name   HA ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1436 at 2.64e+05
assign (resid  80 and name   HA ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1437 at 5.12e+05
assign (resid  80 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1432 at 4.42e+05
assign (resid  80 and name  HB1 ) (resid  80 and name HD22 )  3.5  1.2  0.5 ! A.1440 at 3.04e+06
assign (resid  80 and name HD21 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.1434 at 6.37e+05
assign (resid  80 and name  HB1 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.1001 at 3.02e+06
assign (resid  80 and name   HN ) (resid  81 and name   HN )  2.5  0.7  0.4 ! A.1011 at 7.71e+06
assign (resid  80 and name HD22 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.1435 at 5.23e+05
assign (resid  80 and name  HB2 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.1002 at 3.90e+05
assign (resid  80 and name   HN ) (resid  81 and name   HA )  4.0  2.2  1.0 ! A.1015 at 1.49e+06
assign (resid  80 and name  HB1 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1544 at 2.95e+05
assign (resid  80 and name   HN ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1535 at 1.69e+05

! E81
assign (resid  81 and name  HG1 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.1003 at 1.07e+06
assign (resid  81 and name  HG2 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.1004 at 3.15e+05
assign (resid  81 and name  HB# ) (resid  81 and name   HN )  2.5  0.7  0.9 ! A.1006 at 1.14e+07
assign (resid  81 and name   HN ) (resid  82 and name   HN )  2.5  0.7  0.4 ! A.1537 at 4.72e+07
assign (resid  81 and name  HG1 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1545 at 7.66e+05
assign (resid  81 and name  HB# ) (resid  82 and name   HN )  3.5  1.2  1.0 ! A.1546 at 2.35e+06

! G82
assign (resid  82 and name  HA2 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.7    at 3.47e+06
assign (resid  82 and name  HA1 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.6    at 3.02e+06
assign (resid  82 and name   HN ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.1536 at 7.44e+06
assign (resid  82 and name   HN ) (resid  83 and name   HA )  4.5  2.2  2.0 ! A.1539 at 1.24e+05
assign (resid  82 and name   HN ) (resid  83 and name  HB2 )  4.5  2.2  2.0 ! A.1547 at 8.98e+05
assign (resid  82 and name   HN ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.1538 at 4.00e+05
assign (resid  82 and name  HA2 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.657  at 2.92e+05
assign (resid  82 and name   HN ) (resid  86 and name  HB2 )  4.5  2.2  2.0 ! A.1547 at 8.98e+05

! K83
assign (resid  83 and name  HD1 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.15   at 1.24e+06
assign (resid  83 and name  HG1 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.16   at 1.46e+06
assign (resid  83 and name  HB2 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.14   at 3.96e+06
assign (resid  83 and name  HB1 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.12   at 3.55e+06
assign (resid  83 and name  HE1 ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.10   at 2.09e+05
assign (resid  83 and name  HG2 ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.17   at 2.91e+05
assign (resid  83 and name   HN ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.651  at 1.39e+06
assign (resid  83 and name   HN ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.9    at 2.77e+05
assign (resid  83 and name   HA ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.654  at 1.82e+07
assign (resid  83 and name  HB2 ) (resid  84 and name   HN )  4.0  2.2  1.0 ! A.663  at 1.41e+06
assign (resid  83 and name  HD1 ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.664  at 5.19e+06
assign (resid  83 and name  HG# ) (resid  84 and name   HN )  3.5  1.2  1.0 ! A.665  at 2.17e+06
assign (resid  83 and name   HN ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.2    at 4.11e+05
assign (resid  83 and name  HE1 ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.434  at 1.99e+05
assign (resid  83 and name   HN ) (resid  86 and name  HG1 )  4.5  2.2  2.0 ! A.11   at 7.91e+05
assign (resid  83 and name   HN ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.1    at 1.88e+05
assign (resid  83 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.303  at 5.51e+05
assign (resid  83 and name  HD1 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.314  at 1.31e+06

! V84
assign (resid  84 and name HG2# ) (resid  84 and name   HN )  4.5  2.2  2.5 ! A.667  at 5.18e+05
assign (resid  84 and name HG1# ) (resid  84 and name   HN )  3.5  1.2  1.0 ! A.666  at 3.80e+06
assign (resid  84 and name   HB ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.661  at 1.65e+07
assign (resid  84 and name   HN ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.649  at 8.43e+06
assign (resid  84 and name   HN ) (resid  85 and name   HA )  4.5  2.2  2.0 ! A.656  at 2.35e+05
assign (resid  84 and name HG2# ) (resid  85 and name   HN )  3.5  1.2  1.0 ! A.442  at 3.43e+06
assign (resid  84 and name   HB ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.310  at 3.62e+05
assign (resid  84 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.307  at 4.12e+05
assign (resid  84 and name   HN ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.648  at 2.76e+05
assign (resid  84 and name HG1# ) (resid  87 and name   HN )  3.5  1.2  1.0 ! A.132  at 2.02e+06
assign (resid  84 and name   HA ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.124  at 3.27e+06
assign (resid  84 and name   HN ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.120  at 5.26e+05
assign (resid  84 and name  HB# ) (resid  87 and name   HN )  4.0  2.2  1.5 ! A.126  at 1.43e+06
assign (resid  84 and name   HA ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.959  at 1.06e+06
assign (resid  84 and name HG1# ) (resid  88 and name   HN )  4.5  2.2  2.5 ! A.967  at 9.17e+05

! K85
assign (resid  85 and name  HB2 ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.440  at 1.16e+07
assign (resid  85 and name  HB1 ) (resid  85 and name   HN )  3.5  1.2  0.5 ! A.438  at 3.80e+06
assign (resid  85 and name  HE1 ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.433  at 4.82e+05
assign (resid  85 and name  HG# ) (resid  85 and name   HN )  2.5  0.7  0.9 ! A.441  at 5.78e+06
assign (resid  85 and name   HN ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.427  at 8.41e+06
assign (resid  85 and name   HN ) (resid  86 and name  HG1 )  4.5  2.2  2.0 ! A.436  at 5.12e+05
assign (resid  85 and name  HG# ) (resid  86 and name   HN )  4.0  2.2  1.5 ! A.314  at 1.37e+06
assign (resid  85 and name   HN ) (resid  87 and name   HN )  3.5  0.7  0.4 ! A.118  at 3.74e+06
assign (resid  85 and name   HN ) (resid  88 and name  HG1 )  4.5  2.2  2.0 ! A.435  at 3.43e+05
assign (resid  85 and name   HN ) (resid  88 and name   HN )  4.0  2.2  1.0 ! A.428  at 1.34e+06
assign (resid  85 and name  HB1 ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.963  at 1.66e+05
assign (resid  85 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.253  at 9.06e+05

! E86
assign (resid  86 and name  HB2 ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.313  at 6.41e+06
assign (resid  86 and name  HB1 ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.312  at 3.68e+06
assign (resid  86 and name  HG# ) (resid  86 and name   HN )  3.5  1.2  1.0 ! A.309  at 4.08e+06
assign (resid  86 and name   HN ) (resid  87 and name   HN )  2.5  0.7  0.4 ! A.300  at 6.16e+06
assign (resid  86 and name  HG1 ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.126  at 1.83e+06
assign (resid  86 and name  HB1 ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.127  at 2.24e+06
assign (resid  86 and name   HN ) (resid  87 and name  HB# )  4.5  2.2  2.5 ! A.314  at 8.71e+05
assign (resid  86 and name   HN ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.952  at 4.01e+05
assign (resid  86 and name   HN ) (resid  88 and name  HG1 )  4.0  2.2  1.0 ! A.308  at 1.18e+06
assign (resid  86 and name  HB2 ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.965  at 2.97e+05
assign (resid  86 and name  HB2 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.259  at 1.04e+05
assign (resid  86 and name   HN ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.301  at 1.14e+05
assign (resid  86 and name   HA ) (resid  89 and name   HN )  3.5  1.2  0.5 ! A.254  at 3.80e+06

! A87
assign (resid  87 and name  HB# ) (resid  87 and name   HN )  2.5  0.7  0.9 ! A.130  at 1.81e+07
assign (resid  87 and name   HN ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.953  at 7.04e+06
assign (resid  87 and name   HN ) (resid  88 and name  HG1 )  4.5  2.2  2.0 ! A.125  at 2.06e+05
assign (resid  87 and name   HN ) (resid  88 and name  HB# )  3.5  1.2  1.0 ! A.126  at 1.83e+06
assign (resid  87 and name   HA ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.958  at 4.80e+06
assign (resid  87 and name  HB# ) (resid  88 and name   HN )  3.5  1.2  1.0 ! A.966  at 4.29e+06
assign (resid  87 and name   HN ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.119  at 1.06e+06
assign (resid  87 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.254  at 9.80e+05
assign (resid  87 and name   HN ) (resid  90 and name   HN )  3.5  1.2  0.5 ! A.369  at 2.37e+06
assign (resid  87 and name   HA ) (resid  90 and name   HN )  3.5  1.2  0.5 ! A.343  at 3.00e+06
assign (resid  87 and name   HN ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.117  at 4.02e+05

! Q88
assign (resid  88 and name  HG1 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.960  at 4.81e+06
assign (resid  88 and name  HB# ) (resid  88 and name   HN )  2.5  0.7  0.9 ! A.962  at 1.03e+07
assign (resid  88 and name  HG2 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.961  at 4.41e+06
assign (resid  88 and name HE21 ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.955  at 2.27e+05
assign (resid  88 and name  HG2 ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.1465 at 3.73e+06
assign (resid  88 and name  HB# ) (resid  88 and name HE22 )  4.0  2.2  1.5 ! A.1466 at 1.16e+06
assign (resid  88 and name  HG1 ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.1463 at 2.41e+06
assign (resid  88 and name   HA ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1462 at 5.44e+05
assign (resid  88 and name  HG1 ) (resid  88 and name HE21 )  2.5  0.7  0.4 ! A.1422 at 7.98e+06
assign (resid  88 and name  HB# ) (resid  88 and name HE21 )  2.5  0.7  0.9 ! A.1430 at 5.20e+06
assign (resid  88 and name  HG2 ) (resid  88 and name HE21 )  3.5  1.2  0.5 ! A.1430 at 2.20e+06
assign (resid  88 and name HE22 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.1460 at 3.36e+05
assign (resid  88 and name   HN ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.954  at 5.91e+06
assign (resid  88 and name  HB# ) (resid  89 and name   HN )  2.5  0.7  0.9 ! A.257  at 8.06e+06
assign (resid  88 and name  HG2 ) (resid  89 and name   HN )  3.5  1.2  0.5 ! A.256  at 3.25e+06
assign (resid  88 and name  HB# ) (resid  90 and name   HN )  4.0  2.2  1.5 ! A.348  at 1.41e+06
assign (resid  88 and name   HN ) (resid  90 and name   HN )  3.5  1.2  0.5 ! A.954  at 2.91e+06
assign (resid  88 and name HE21 ) (resid  91 and name  HB# )  4.5  2.2  2.5 ! A.1467 at 3.66e+05
assign (resid  88 and name   HA ) (resid  91 and name   HN )  3.5  1.2  0.5 ! A.544  at 2.14e+06
assign (resid  88 and name HE22 ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.1460 at 3.36e+05
assign (resid  88 and name HE22 ) (resid  92 and name  HG# )  4.5  2.2  2.5 ! A.1464 at 2.60e+05

! A89
assign (resid  89 and name  HB# ) (resid  89 and name   HN )  2.5  0.7  0.9 ! A.261  at 2.84e+07
assign (resid  89 and name   HN ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.248  at 5.21e+05
assign (resid  89 and name   HA ) (resid  92 and name   HN )  3.5  1.2  0.5 ! A.1105 at 4.12e+06

! A90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  2.5  0.7  0.9 ! A.378  at 3.61e+07
assign (resid  90 and name   HN ) (resid  91 and name   HN )  2.5  0.7  0.4 ! A.542  at 1.32e+07
assign (resid  90 and name   HA ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.544  at 1.64e+06
assign (resid  90 and name   HN ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.372  at 7.76e+05
assign (resid  90 and name   HA ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.276  at 7.83e+05

! A91
assign (resid  91 and name  HB# ) (resid  91 and name   HN )  2.5  0.7  0.9 ! A.550  at 3.93e+07
assign (resid  91 and name   HA ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.1108 at 3.70e+05
assign (resid  91 and name   HN ) (resid  92 and name  HG# )  4.5  2.2  2.5 ! A.547  at 4.76e+05
assign (resid  91 and name  HB# ) (resid  92 and name   HN )  2.5  0.7  0.9 ! A.1114 at 1.18e+07
assign (resid  91 and name   HN ) (resid  92 and name   HN )  2.5  0.7  0.4 ! A.1101 at 6.66e+06
assign (resid  91 and name   HN ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.543  at 6.53e+05
assign (resid  91 and name   HA ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.837  at 3.01e+05
assign (resid  91 and name   HA ) (resid  94 and name   HN )  3.5  1.2  0.5 ! A.278  at 3.07e+06

! E92
assign (resid  92 and name  HB# ) (resid  92 and name   HN )  2.5  0.7  0.9 ! A.1112 at 2.18e+07
assign (resid  92 and name  HG# ) (resid  92 and name   HN )  2.5  0.7  0.9 ! A.1110 at 1.21e+07
assign (resid  92 and name   HN ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.832  at 9.69e+06
assign (resid  92 and name  HG# ) (resid  94 and name   HN )  4.0  2.2  1.5 ! A.279  at 1.13e+06
assign (resid  92 and name  HG# ) (resid  95 and name   HN )  4.5  2.2  2.5 ! A.821  at 3.26e+05
assign (resid  92 and name   HN ) (resid  95 and name  HG2 )  4.5  2.2  2.0 ! A.1116 at 4.65e+05
assign (resid  92 and name   HN ) (resid  95 and name  HG1 )  4.5  2.2  2.0 ! A.1115 at 6.39e+05
assign (resid  92 and name  HB# ) (resid  95 and name   HN )  4.0  2.2  1.5 ! A.822  at 1.36e+06

! Q93
assign (resid  93 and name  HG1 ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.838  at 5.73e+06
assign (resid  93 and name  HB# ) (resid  93 and name   HN )  2.5  0.7  0.9 ! A.839  at 2.96e+07
assign (resid  93 and name   HA ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1421 at 1.01e+06
assign (resid  93 and name   HA ) (resid  93 and name HE21 )  4.5  2.2  2.0 ! A.1420 at 2.84e+05
assign (resid  93 and name  HG1 ) (resid  93 and name HE22 )  3.5  1.2  0.5 ! A.1399 at 2.57e+06
assign (resid  93 and name  HB# ) (resid  93 and name HE22 )  4.5  2.2  2.5 ! A.1401 at 3.77e+05
assign (resid  93 and name  HG1 ) (resid  93 and name HE21 )  2.5  0.7  0.4 ! A.1422 at 7.98e+06
assign (resid  93 and name  HB# ) (resid  93 and name HE21 )  4.5  2.2  2.5 ! A.1400 at 3.20e+05
assign (resid  93 and name   HN ) (resid  94 and name   HG )  4.5  2.2  2.0 ! A.841  at 3.41e+05
assign (resid  93 and name   HN ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.844  at 6.33e+05
assign (resid  93 and name HE21 ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.1423 at 2.43e+05
assign (resid  93 and name   HN ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.831  at 9.61e+06
assign (resid  93 and name   HA ) (resid  94 and name   HN )  3.5  1.2  0.5 ! A.276  at 3.08e+06
assign (resid  93 and name   HN ) (resid  94 and name  HB2 )  4.5  2.2  2.0 ! A.840  at 1.03e+06
assign (resid  93 and name   HA ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.817  at 5.22e+05
assign (resid  93 and name   HN ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1261 at 8.38e+05
assign (resid  93 and name  HG1 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1268 at 2.13e+05
assign (resid  93 and name   HA ) (resid  96 and name   HN )  3.5  1.2  0.5 ! A.1264 at 3.17e+06

! L94
assign (resid  94 and name  HB1 ) (resid  94 and name   HN )  3.5  1.2  0.5 ! A.282  at 4.28e+06
assign (resid  94 and name  HB2 ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.284  at 7.62e+06
assign (resid  94 and name HD2# ) (resid  94 and name   HN )  3.5  1.2  1.0 ! A.289  at 4.14e+06
assign (resid  94 and name   HG ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.285  at 9.28e+05
assign (resid  94 and name   HN ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.812  at 4.48e+06
assign (resid  94 and name HD2# ) (resid  95 and name   HN )  4.5  2.2  2.5 ! A.830  at 4.03e+05
assign (resid  94 and name   HN ) (resid  95 and name  HG2 )  3.5  1.2  0.5 ! A.286  at 2.94e+06
assign (resid  94 and name   HN ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.275  at 5.86e+05
assign (resid  94 and name   HN ) (resid  96 and name HG2# )  4.5  2.2  2.5 ! A.287  at 3.33e+05
assign (resid  94 and name HD2# ) (resid  97 and name   HN )  4.0  2.2  1.5 ! A.426  at 1.26e+06
assign (resid  94 and name  HB2 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.88   at 1.18e+05
assign (resid  94 and name   HA ) (resid  98 and name   HN )  4.0  2.2  1.0 ! A.83   at 1.31e+06

! K95
assign (resid  95 and name  HG2 ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.828  at 2.52e+06
assign (resid  95 and name  HG1 ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.827  at 2.40e+06
assign (resid  95 and name  HD1 ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.825  at 4.09e+06
assign (resid  95 and name  HE1 ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.820  at 2.79e+05
assign (resid  95 and name  HB# ) (resid  95 and name   HN )  2.5  0.7  0.9 ! A.823  at 1.69e+07
assign (resid  95 and name   HN ) (resid  96 and name   HN )  2.5  0.7  0.4 ! A.1260 at 5.84e+06
assign (resid  95 and name   HN ) (resid  96 and name   HB )  4.5  2.2  2.0 ! A.816  at 3.10e+05
assign (resid  95 and name  HE1 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1267 at 1.69e+05
assign (resid  95 and name  HG# ) (resid  96 and name   HN )  3.5  1.2  1.0 ! A.1271 at 3.37e+06
assign (resid  95 and name  HB1 ) (resid  96 and name   HN )  3.5  1.2  0.5 ! A.1269 at 4.17e+06
assign (resid  95 and name  HB2 ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.1270 at 1.29e+06
assign (resid  95 and name   HN ) (resid  97 and name   HN )  4.5  2.2  2.0 ! A.813  at 5.31e+05
assign (resid  95 and name   HN ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.811  at 1.13e+05
assign (resid  95 and name   HA ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.83   at 1.81e+06

! T96
assign (resid  96 and name   HB ) (resid  96 and name   HN )  2.5  0.7  0.4 ! A.1263 at 1.14e+07
assign (resid  96 and name HG2# ) (resid  96 and name   HN )  4.5  2.2  2.5 ! A.1272 at 2.73e+05
assign (resid  96 and name   HN ) (resid  97 and name   HN )  2.5  0.7  0.4 ! A.415  at 8.61e+06
assign (resid  96 and name   HB ) (resid  97 and name   HN )  2.5  0.7  0.4 ! A.416  at 6.03e+06
assign (resid  96 and name   HN ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1258 at 3.76e+05
assign (resid  96 and name   HN ) (resid  98 and name HG11 )  4.5  2.2  2.0 ! A.1273 at 2.28e+05
assign (resid  96 and name   HA ) (resid  99 and name   HN )  3.5  1.2  0.5 ! A.690  at 3.81e+06

! T97
assign (resid  97 and name HG2# ) (resid  97 and name   HN )  4.0  2.2  1.5 ! A.423  at 1.35e+06
assign (resid  97 and name   HB ) (resid  97 and name   HN )  2.5  0.7  0.4 ! A.417  at 1.09e+07
assign (resid  97 and name   HN ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.412  at 4.63e+06
assign (resid  97 and name   HN ) (resid  98 and name HG11 )  4.5  2.2  2.0 ! A.424  at 4.40e+05
assign (resid  97 and name   HN ) (resid  98 and name HG2# )  4.0  2.2  1.5 ! A.425  at 1.40e+06
assign (resid  97 and name HG2# ) (resid  98 and name   HN )  4.0  2.2  1.5 ! A.90   at 1.38e+06
assign (resid  97 and name   HA ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.83   at 2.81e+06
assign (resid  97 and name   HB ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.82   at 4.86e+06
assign (resid  97 and name   HA ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.690  at 9.81e+05
assign (resid  97 and name HG2# ) (resid 100 and name   HN )  4.5  2.2  2.5 ! A.608  at 2.68e+05
assign (resid  97 and name HG2# ) (resid 101 and name   HN )  4.5  2.2  2.5 ! A.206  at 7.51e+05

! I98
assign (resid  98 and name HG11 ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.91   at 3.14e+06
assign (resid  98 and name HG2# ) (resid  98 and name   HN )  2.5  0.7  0.9 ! A.92   at 7.18e+06
assign (resid  98 and name   HB ) (resid  98 and name   HN )  3.5  1.2  0.5 ! A.87   at 3.65e+06
assign (resid  98 and name   HN ) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.686  at 5.50e+06
assign (resid  98 and name   HN ) (resid 100 and name  HB# )  4.5  2.2  2.5 ! A.89   at 2.36e+05
assign (resid  98 and name   HN ) (resid 100 and name   HN )  4.5  2.2  2.0 ! A.597  at 1.81e+05
assign (resid  98 and name   HA ) (resid 100 and name   HN )  4.5  2.2  2.0 ! A.603  at 5.30e+05
assign (resid  98 and name   HN ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.185  at 2.26e+05
assign (resid  98 and name   HN ) (resid 101 and name  HB1 )  4.5  2.2  2.0 ! A.85   at 2.37e+05
assign (resid  98 and name HG11 ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.207  at 1.23e+06
assign (resid  98 and name   HA ) (resid 101 and name   HN )  3.5  1.2  0.5 ! A.196  at 2.58e+06
assign (resid  98 and name   HB ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.204  at 5.11e+05
assign (resid  98 and name HG11 ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.1257 at 1.36e+06
assign (resid  98 and name   HA ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.1246 at 1.26e+06
assign (resid  98 and name   HB ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1254 at 4.97e+05

! R99
assign (resid  99 and name  HB# ) (resid  99 and name   HN )  3.5  1.2  1.0 ! A.692  at 2.73e+06
assign (resid  99 and name  HG# ) (resid  99 and name   HN )  3.5  1.2  1.0 ! A.693  at 2.35e+06
assign (resid  99 and name  HD# ) (resid  99 and name   HN )  4.5  2.2  2.5 ! A.691  at 8.88e+05
assign (resid  99 and name   HN ) (resid 100 and name   HN )  2.5  0.7  0.4 ! A.688  at 8.54e+06
assign (resid  99 and name  HB# ) (resid 100 and name   HN )  3.5  1.2  1.0 ! A.456  at 4.18e+06
assign (resid  99 and name   HA ) (resid 100 and name   HN )  3.5  1.2  0.5 ! A.452  at 4.19e+06
assign (resid  99 and name   HN ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.189  at 9.32e+05
assign (resid  99 and name  HD1 ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.197  at 2.72e+05
assign (resid  99 and name  HB# ) (resid 102 and name   HN )  4.5  2.2  2.5 ! A.1253 at 1.76e+05
assign (resid  99 and name   HA ) (resid 102 and name   HN )  3.5  1.2  0.5 ! A.1243 at 3.21e+06
assign (resid  99 and name   HN ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.687  at 8.87e+05
assign (resid  99 and name   HA ) (resid 102 and name HD21 )  4.0  2.2  1.0 ! A.1449 at 1.54e+06
assign (resid  99 and name  HD2 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1429 at 3.26e+05
assign (resid  99 and name  HD1 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1428 at 2.71e+05
assign (resid  99 and name  HD2 ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1427 at 2.41e+05
assign (resid  99 and name  HD1 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.676  at 1.90e+05

! A100
assign (resid 100 and name   HN ) (resid 101 and name   HN )  3.5  1.2  0.5 ! A.599  at 4.35e+06
assign (resid 100 and name  HB# ) (resid 101 and name   HN )  2.5  0.7  0.9 ! A.205  at 8.70e+06
assign (resid 100 and name   HN ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1233 at 6.67e+05
assign (resid 100 and name   HA ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1245 at 5.24e+05
assign (resid 100 and name  HB# ) (resid 102 and name   HN )  4.5  2.2  2.5 ! A.1256 at 1.03e+06
assign (resid 100 and name  HB# ) (resid 103 and name   HN )  4.5  2.2  2.5 ! A.890  at 4.44e+05
assign (resid 100 and name   HA ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1425 at 5.23e+05
assign (resid 100 and name   HN ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.600  at 2.12e+05

! Y101
assign (resid 101 and name  HB1 ) (resid 101 and name   HN )  2.5  0.7  0.4 ! A.199  at 9.01e+06
assign (resid 101 and name  HD1 ) (resid 101 and name   HN )  4.0  2.2  1.0 ! A.191  at 1.33e+06
assign (resid 101 and name  HE1 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1241 at 3.30e+05
assign (resid 101 and name  HD1 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1240 at 1.06e+06
assign (resid 101 and name  HE1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1447 at 3.95e+05
assign (resid 101 and name   HN ) (resid 103 and name  HB1 )  4.5  2.2  2.0 ! A.202  at 2.91e+05
assign (resid 101 and name  HD1 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.880  at 2.54e+05
assign (resid 101 and name  HD1 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.674  at 2.77e+05
assign (resid 101 and name   HN ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.670  at 3.71e+05
assign (resid 101 and name   HA ) (resid 104 and name   HN )  3.5  1.2  0.5 ! A.632  at 2.47e+06
assign (resid 101 and name   HN ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1193 at 3.47e+05
assign (resid 101 and name  HD1 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1197 at 2.78e+05

! N102
assign (resid 102 and name  HB2 ) (resid 102 and name   HN )  2.5  0.7  0.4 ! A.1249 at 1.04e+07
assign (resid 102 and name  HB1 ) (resid 102 and name   HN )  2.5  0.7  0.4 ! A.1248 at 1.14e+07
assign (resid 102 and name HD21 ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.1237 at 1.56e+06
assign (resid 102 and name HD22 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.1239 at 6.48e+05
assign (resid 102 and name  HB2 ) (resid 102 and name HD21 )  3.5  1.2  0.5 ! A.1454 at 3.60e+06
assign (resid 102 and name  HB1 ) (resid 102 and name HD22 )  3.5  1.2  0.5 ! A.1452 at 3.28e+06
assign (resid 102 and name  HB1 ) (resid 102 and name HD21 )  3.5  1.2  0.5 ! A.1451 at 4.26e+06
assign (resid 102 and name   HA ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1448 at 2.12e+05
assign (resid 102 and name  HB2 ) (resid 102 and name HD22 )  3.5  1.2  0.5 ! A.1440 at 3.04e+06
assign (resid 102 and name   HA ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.881  at 6.13e+05
assign (resid 102 and name   HN ) (resid 103 and name  HB2 )  4.5  2.2  2.0 ! A.1252 at 1.04e+06
assign (resid 102 and name   HN ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.1232 at 5.20e+07
assign (resid 102 and name   HN ) (resid 103 and name  HB1 )  4.5  2.2  2.0 ! A.1251 at 5.36e+05
assign (resid 102 and name HD21 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.1445 at 1.91e+05
assign (resid 102 and name  HB2 ) (resid 103 and name   HN )  3.5  1.2  0.5 ! A.886  at 3.19e+06
assign (resid 102 and name  HB1 ) (resid 103 and name   HN )  3.5  1.2  0.5 ! A.859  at 3.74e+06
assign (resid 102 and name   HN ) (resid 104 and name   HN )  3.5  1.2  0.5 ! A.669  at 2.56e+06
assign (resid 102 and name   HN ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.1255 at 1.26e+05
assign (resid 102 and name   HA ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1198 at 1.62e+05
assign (resid 102 and name  HB1 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1204 at 1.39e+05
assign (resid 102 and name   HN ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.1250 at 3.08e+05
assign (resid 102 and name   HN ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1238 at 3.38e+05
assign (resid 102 and name HD21 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.1455 at 2.31e+05
assign (resid 102 and name   HA ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1320 at 2.50e+05
assign (resid 102 and name   HN ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1315 at 2.62e+05
assign (resid 102 and name HD21 ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.1450 at 1.25e+05
assign (resid 102 and name  HB1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1326 at 3.20e+05

! Q103
assign (resid 103 and name  HB1 ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.888  at 1.18e+07
assign (resid 103 and name HE21 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.878  at 5.58e+05
assign (resid 103 and name  HG# ) (resid 103 and name   HN )  3.5  1.2  1.0 ! A.887  at 1.92e+06
assign (resid 103 and name  HG1 ) (resid 103 and name HE21 )  3.5  1.2  0.5 ! A.1398 at 1.81e+06
assign (resid 103 and name  HG2 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1399 at 5.70e+05
assign (resid 103 and name  HB2 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1411 at 4.92e+05
assign (resid 103 and name  HG2 ) (resid 103 and name HE21 )  2.5  0.7  0.4 ! A.1422 at 7.98e+06
assign (resid 103 and name  HB2 ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1400 at 3.20e+05
assign (resid 103 and name  HB1 ) (resid 103 and name HE21 )  3.5  1.2  0.5 ! A.1430 at 2.20e+06
assign (resid 103 and name   HN ) (resid 104 and name   HN )  2.5  0.7  0.4 ! A.669  at 6.56e+06
assign (resid 103 and name HE21 ) (resid 104 and name   HA )  4.5  2.2  2.0 ! A.1426 at 1.79e+05
assign (resid 103 and name  HG# ) (resid 104 and name   HN )  4.5  2.2  2.5 ! A.639  at 5.13e+05
assign (resid 103 and name   HA ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.632  at 1.65e+06
assign (resid 103 and name   HN ) (resid 104 and name  HB# )  3.5  1.2  1.0 ! A.889  at 2.43e+06
assign (resid 103 and name   HN ) (resid 104 and name   HA )  4.5  2.2  2.0 ! A.884  at 4.33e+05
assign (resid 103 and name  HG2 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1208 at 4.17e+05
assign (resid 103 and name  HG1 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1207 at 3.61e+05
assign (resid 103 and name  HB1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1209 at 1.11e+06
assign (resid 103 and name  HB2 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1210 at 2.50e+05
assign (resid 103 and name   HA ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1200 at 1.16e+06
assign (resid 103 and name   HN ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1192 at 4.49e+05
assign (resid 103 and name   HN ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1316 at 1.34e+05
assign (resid 103 and name  HB2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1330 at 2.91e+05
assign (resid 103 and name  HB1 ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1329 at 1.14e+06
assign (resid 103 and name   HA ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1322 at 5.40e+05

! K104
assign (resid 104 and name  HG2 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.681  at 1.05e+06
assign (resid 104 and name  HG1 ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.680  at 1.42e+06
assign (resid 104 and name  HD# ) (resid 104 and name   HN )  4.5  2.2  2.5 ! A.679  at 5.69e+05
assign (resid 104 and name  HB# ) (resid 104 and name   HN )  2.5  0.7  0.9 ! A.678  at 1.89e+07
assign (resid 104 and name   HN ) (resid 105 and name   HN )  2.5  0.7  0.4 ! A.1194 at 6.18e+06
assign (resid 104 and name  HB2 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1212 at 2.17e+05
assign (resid 104 and name  HG1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1214 at 1.14e+06
assign (resid 104 and name  HB1 ) (resid 105 and name   HN )  2.5  0.7  0.4 ! A.1211 at 5.38e+06
assign (resid 104 and name  HG2 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1215 at 9.05e+05
assign (resid 104 and name   HA ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1201 at 2.05e+06
assign (resid 104 and name  HD# ) (resid 105 and name   HN )  4.5  2.2  2.5 ! A.1213 at 7.16e+05
assign (resid 104 and name   HN ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.672  at 7.50e+05
assign (resid 104 and name  HG2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1333 at 5.41e+05
assign (resid 104 and name  HG1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1332 at 4.87e+05
assign (resid 104 and name  HB1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1331 at 7.20e+05

! Y105
assign (resid 105 and name  HB1 ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1203 at 3.41e+06
assign (resid 105 and name  HB2 ) (resid 105 and name   HN )  2.5  1.2  0.5 ! A.1206 at 5.94e+06
assign (resid 105 and name  HD1 ) (resid 105 and name   HN )  4.0  1.2  0.5 ! A.1196 at 4.77e+06
assign (resid 105 and name   HN ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.1202 at 2.39e+05
assign (resid 105 and name   HN ) (resid 106 and name   HN )  2.5  0.7  0.4 ! A.1318 at 1.06e+07
assign (resid 105 and name  HB1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1325 at 5.32e+05
assign (resid 105 and name  HD1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1319 at 8.04e+05
assign (resid 105 and name   HA ) (resid 106 and name   HN )  3.5  1.2  0.5 ! A.1321 at 3.07e+06
assign (resid 105 and name  HB2 ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1327 at 1.34e+06

! G106


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: gdN_cnoeC.PCK
!   Date: Tue Jul  1 16:32:59 EDT 2003
!   Path: /home/fengh/My_xplor/gd7_N
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   gdN_cnoeC.PCK                 213    44     51     77     41
!    Total                          213    44     51     77     41

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! A1

! D2

! L3
assign (resid   3 and name   HG ) (resid   4 and name  HG# )  4.0  2.2  1.5 ! A.286  at 2.83e+06
assign (resid   3 and name HD1# ) (resid   4 and name  HG# )  4.0  2.2  2.0 ! A.444  at 3.04e+06
assign (resid   3 and name   HG ) (resid   4 and name  HB# )  4.0  2.2  1.5 ! A.397  at 2.41e+06

! E4

! D5

! N6

! D7

! E8
assign (resid   8 and name  HG# ) (resid   8 and name   HA )  2.5  0.7  0.9 ! A.51   at 8.31e+06
assign (resid   8 and name  HG# ) (resid   9 and name   HA )  4.5  2.2  2.5 ! A.284  at 1.39e+06

! T9
assign (resid   9 and name   HA ) (resid   9 and name HG2# )  4.0  2.2  1.5 ! A.419  at 2.12e+06

! G10

! N11

! D12

! N13

! G14

! K15
assign (resid  15 and name  HE1 ) (resid  15 and name  HB# )  2.5  0.7  0.9 ! A.345  at 1.82e+08

! G16

! G17

! E18

! K19
assign (resid  19 and name  HG1 ) (resid  21 and name   HA )  4.0  2.2  1.0 ! A.16   at 2.99e+06

! A20
assign (resid  20 and name   HA ) (resid  21 and name   HA )  4.5  2.2  2.0 ! A.15   at 1.08e+06
assign (resid  20 and name  HB# ) (resid  25 and name  HB# )  4.0  2.2  2.0 ! A.409  at 3.05e+06

! D21

! N22
assign (resid  22 and name   HA ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.20   at 6.99e+05
assign (resid  22 and name   HA ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.19   at 3.02e+06

! A23
assign (resid  23 and name   HA ) (resid  84 and name HG1# )  2.5  0.7  0.9 ! A.427  at 1.40e+07
assign (resid  23 and name   HA ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.196  at 2.51e+06

! A24

! Q25
assign (resid  25 and name  HB# ) (resid  26 and name   HA )  4.0  2.2  1.5 ! A.300  at 1.92e+06

! V26
assign (resid  26 and name HG1# ) (resid  27 and name  HB# )  2.5  0.7  1.4 ! A.358  at 2.55e+07
assign (resid  26 and name   HB ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.306  at 2.54e+06
assign (resid  26 and name   HA ) (resid  84 and name HG1# )  3.5  1.2  1.0 ! A.426  at 3.61e+06
assign (resid  26 and name   HB ) (resid  84 and name HG2# )  2.5  0.7  0.9 ! A.447  at 3.09e+07
assign (resid  26 and name   HB ) (resid  87 and name  HB# )  4.5  2.2  2.5 ! A.384  at 1.10e+06

! K27
assign (resid  27 and name   HA ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.430  at 4.45e+06
assign (resid  27 and name  HB# ) (resid  76 and name HD1# )  3.5  1.2  1.5 ! A.434  at 4.61e+06

! D28
assign (resid  28 and name  HB# ) (resid  29 and name   HA )  4.5  2.2  2.5 ! A.97   at 1.15e+06

! A29

! L30
assign (resid  30 and name HD1# ) (resid  30 and name  HB# )  2.5  0.7  1.4 ! A.312  at 5.29e+07
assign (resid  30 and name HD2# ) (resid  30 and name   HA )  3.5  1.2  1.0 ! A.86   at 5.49e+06
assign (resid  30 and name   HA ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.165  at 2.36e+05
assign (resid  30 and name  HB# ) (resid  72 and name   HA )  4.5  2.2  2.5 ! A.167  at 4.42e+05
assign (resid  30 and name  HB# ) (resid  76 and name HD1# )  2.5  0.7  1.4 ! A.311  at 2.19e+07
assign (resid  30 and name HD1# ) (resid  76 and name HD1# )  2.5  0.7  1.4 ! A.435  at 4.97e+08
assign (resid  30 and name HD1# ) (resid  79 and name  HB# )  3.5  1.2  1.5 ! A.440  at 4.79e+06

! T31
assign (resid  31 and name   HA ) (resid  34 and name  HB1 )  3.5  1.2  0.5 ! A.153  at 5.58e+06
!assign (resid  31 and name   HA ) (resid  35 and name   HA )  4.0  2.2  1.0 ! A.107  at 1.85e+06

! K32
assign (resid  32 and name  HE1 ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.221  at 1.62e+06
assign (resid  32 and name  HE1 ) (resid  36 and name   HA )  4.5  2.2  2.0 ! A.222  at 6.75e+05

! M33

! R34
assign (resid  34 and name  HG1 ) (resid  69 and name HG1# )  2.5  0.7  0.9 ! A.429  at 1.53e+07
assign (resid  34 and name  HG1 ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.185  at 6.22e+05
assign (resid  34 and name  HG1 ) (resid  72 and name HG2# )  2.5  0.7  0.9 ! A.344  at 3.11e+07

! A35
assign (resid  35 and name  HB# ) (resid  39 and name  HB2 )  4.5  2.2  2.5 ! A.265  at 1.41e+06

! A36

! A37
assign (resid  37 and name   HA ) (resid  65 and name  HB2 )  4.0  2.2  1.0 ! A.260  at 1.76e+06

! L38
assign (resid  38 and name   HA ) (resid  38 and name   HG )  2.5  0.7  0.4 ! A.407  at 7.29e+06
assign (resid  38 and name  HB# ) (resid  39 and name  HB2 )  4.5  2.2  2.5 ! A.263  at 1.21e+06
assign (resid  38 and name  HB# ) (resid  40 and name   HA )  4.5  2.2  2.5 ! A.322  at 4.24e+05

! D39
assign (resid  39 and name  HB1 ) (resid  43 and name  HB# )  4.5  2.2  2.5 ! A.255  at 1.13e+06
assign (resid  39 and name  HB2 ) (resid  43 and name  HB# )  4.5  2.2  2.5 ! A.264  at 8.02e+05
assign (resid  39 and name  HB1 ) (resid  44 and name   HB )  4.0  2.2  1.0 ! A.254  at 1.95e+06

! A40
assign (resid  40 and name  HB# ) (resid  41 and name  HB1 )  4.0  2.2  1.5 ! A.324  at 2.32e+06

! Q41
assign (resid  41 and name   HA ) (resid  41 and name  HG2 )  3.5  1.2  0.5 ! A.292  at 6.06e+06
assign (resid  41 and name   HA ) (resid  42 and name  HG1 )  4.5  2.2  2.0 ! A.402  at 1.09e+06
assign (resid  41 and name  HG2 ) (resid  42 and name  HE1 )  2.5  0.7  0.4 ! A.293  at 1.36e+07
assign (resid  41 and name  HG1 ) (resid  42 and name  HD1 )  4.0  2.2  1.0 ! A.371  at 2.55e+06
assign (resid  41 and name   HA ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.173  at 6.56e+05
assign (resid  41 and name  HB1 ) (resid  65 and name  HB2 )  4.0  2.2  1.0 ! A.323  at 2.59e+06
assign (resid  41 and name  HB2 ) (resid  65 and name  HB1 )  3.5  1.2  0.5 ! A.394  at 4.41e+06

! K42
assign (resid  42 and name   HA ) (resid  42 and name  HE1 )  4.0  2.2  1.0 ! A.216  at 2.42e+06
assign (resid  42 and name   HA ) (resid  45 and name  HD2 )  4.5  2.2  2.0 ! A.66   at 5.23e+05

! A43

! T44
assign (resid  44 and name   HA ) (resid  45 and name   HA )  4.0  2.2  1.0 ! A.129  at 2.60e+06
assign (resid  44 and name   HA ) (resid  46 and name  HD1 )  4.0  2.2  1.0 ! A.130  at 1.81e+06

! P45
assign (resid  45 and name  HD2 ) (resid  45 and name  HB1 )  4.5  2.2  2.0 ! A.283  at 2.66e+05
assign (resid  45 and name  HB1 ) (resid  45 and name  HD1 )  4.5  2.2  2.0 ! A.147  at 1.34e+06
assign (resid  45 and name   HA ) (resid  46 and name   HA )  4.5  2.2  2.0 ! A.44   at 1.47e+06
assign (resid  45 and name   HA ) (resid  46 and name  HD1 )  2.5  0.7  0.4 ! A.45   at 1.20e+07

! P46
assign (resid  46 and name  HD1 ) (resid  48 and name HD1# )  4.5  2.2  2.5 ! A.452  at 5.74e+05

! K47
assign (resid  47 and name  HB1 ) (resid 105 and name  HB1 )  4.0  2.2  1.0 ! A.207  at 3.08e+06
assign (resid  47 and name  HE1 ) (resid 106 and name  HA1 )  4.0  2.2  1.0 ! A.224  at 2.80e+06
assign (resid  47 and name  HE1 ) (resid 106 and name  HA2 )  2.5  0.7  0.4 ! A.155  at 2.43e+07

! L48
assign (resid  48 and name   HA ) (resid  48 and name HD1# )  4.0  2.2  1.5 ! A.451  at 2.46e+06
assign (resid  48 and name   HA ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.466  at 2.80e+05
assign (resid  48 and name   HA ) (resid  51 and name  HG2 )  3.5  1.2  0.5 ! A.31   at 4.82e+06
assign (resid  48 and name  HB1 ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.3    at 2.23e+06
assign (resid  48 and name  HB1 ) (resid  57 and name  HG# )  3.5  1.2  1.0 ! A.365  at 4.54e+06
assign (resid  48 and name HD2# ) (resid  57 and name  HB2 )  4.5  2.2  2.5 ! A.330  at 6.68e+05
assign (resid  48 and name HD1# ) (resid  61 and name  HB1 )  4.5  2.2  2.5 ! A.206  at 7.74e+05
assign (resid  48 and name HD2# ) (resid 105 and name  HB1 )  4.5  2.2  2.5 ! A.467  at 1.18e+06

! E49
assign (resid  49 and name   HA ) (resid  50 and name   HA )  4.0  2.2  1.0 ! A.25   at 2.20e+06
assign (resid  49 and name  HB# ) (resid  50 and name  HB# )  2.5  0.7  1.4 ! A.250  at 1.07e+07

! D50

! K51
assign (resid  51 and name  HB# ) (resid  55 and name  HB1 )  4.5  2.2  2.5 ! A.332  at 7.21e+05

! S52
assign (resid  52 and name  HB1 ) (resid  53 and name   HA )  4.5  2.2  2.0 ! A.82   at 6.54e+05
assign (resid  52 and name   HA ) (resid  54 and name  HB1 )  4.5  2.2  2.0 ! A.252  at 1.37e+06
assign (resid  52 and name   HA ) (resid  58 and name  HG1 )  4.5  2.2  2.0 ! A.244  at 1.18e+06

! P53

! D54

! S55
assign (resid  55 and name  HB2 ) (resid  56 and name  HB1 )  4.5  2.2  2.0 ! A.128  at 1.20e+06

! P56
assign (resid  56 and name   HA ) (resid  59 and name  HE1 )  4.0  2.2  1.0 ! A.218  at 2.42e+06
assign (resid  56 and name   HA ) (resid  59 and name  HG1 )  2.5  0.7  0.4 ! A.68   at 1.07e+07

! E57
assign (resid  57 and name  HG# ) (resid  58 and name  HG1 )  2.5  0.7  0.9 ! A.280  at 1.67e+07
assign (resid  57 and name  HG# ) (resid  60 and name  HB1 )  3.5  1.2  1.0 ! A.279  at 5.01e+06

! M58
assign (resid  58 and name   HA ) (resid  61 and name   HA )  4.5  2.2  2.0 ! A.8    at 1.27e+06
assign (resid  58 and name  HB1 ) (resid  61 and name  HB1 )  4.0  1.2  0.5 ! A.299  at 1.86e+06
assign (resid  58 and name  HG2 ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.204  at 2.57e+05

! K59
assign (resid  59 and name   HA ) (resid  60 and name   HA )  4.5  2.2  2.0 ! A.30   at 1.14e+06
assign (resid  59 and name   HA ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.116  at 6.89e+05
assign (resid  59 and name   HA ) (resid  63 and name  HB1 )  4.0  2.2  1.0 ! A.188  at 2.04e+06

! D60
assign (resid  60 and name  HB2 ) (resid  63 and name  HB2 )  4.5  2.2  2.0 ! A.251  at 8.08e+05

! F61
assign (resid  61 and name   HA ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.149  at 1.29e+06
assign (resid  61 and name   HA ) (resid  64 and name  HA2 )  4.5  2.2  2.0 ! A.55   at 8.19e+05

! R62
assign (resid  62 and name   HA ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.201  at 1.34e+06
assign (resid  62 and name   HA ) (resid  62 and name  HD1 )  4.5  2.2  2.0 ! A.192  at 8.43e+05
assign (resid  62 and name  HD1 ) (resid  62 and name  HB# )  2.5  0.7  0.9 ! A.325  at 9.33e+06
assign (resid  62 and name   HA ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.35   at 8.02e+05
assign (resid  62 and name  HB# ) (resid  66 and name  HB1 )  4.5  2.2  2.5 ! A.237  at 5.04e+05

! H63
assign (resid  63 and name  HB2 ) (resid  66 and name  HB1 )  4.0  1.2  0.5 ! A.191  at 2.17e+06
assign (resid  63 and name   HA ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.23   at 9.98e+05
assign (resid  63 and name   HA ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.350  at 1.05e+06
assign (resid  63 and name  HB1 ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.423  at 1.04e+06

! G64
assign (resid  64 and name  HA2 ) (resid  67 and name HG11 )  4.0  2.2  1.0 ! A.421  at 1.58e+06
assign (resid  64 and name  HA2 ) (resid  67 and name HG2# )  4.0  2.2  1.5 ! A.457  at 2.65e+06
assign (resid  64 and name  HA1 ) (resid  67 and name   HB )  3.5  1.2  0.5 ! A.352  at 4.42e+06
assign (resid  64 and name  HA2 ) (resid  67 and name   HB )  3.5  1.2  0.5 ! A.180  at 4.69e+06
assign (resid  64 and name  HA1 ) (resid  67 and name HG11 )  4.0  2.2  1.0 ! A.105  at 1.97e+06
assign (resid  64 and name  HA2 ) (resid  67 and name HG12 )  4.0  2.2  1.0 ! A.181  at 2.59e+06
assign (resid  64 and name  HA1 ) (resid  68 and name HD1# )  3.5  1.2  1.0 ! A.460  at 3.89e+06
assign (resid  64 and name  HA1 ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.470  at 5.39e+05
assign (resid  64 and name  HA2 ) (resid  68 and name  HB# )  4.5  2.2  2.5 ! A.179  at 7.14e+05

! F65
assign (resid  65 and name   HA ) (resid  68 and name HD1# )  4.5  2.2  2.5 ! A.459  at 1.43e+06
assign (resid  65 and name   HA ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.469  at 5.20e+05

! D66
assign (resid  66 and name  HB2 ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.258  at 5.08e+05
assign (resid  66 and name   HA ) (resid  69 and name HG2# )  3.5  1.2  1.0 ! A.446  at 3.51e+06
assign (resid  66 and name   HA ) (resid  70 and name  HA# )  4.5  2.2  2.5 ! A.36   at 1.21e+06

! I67
assign (resid  67 and name   HA ) (resid  67 and name HG2# )  4.5  2.2  2.5 ! A.456  at 3.36e+05
assign (resid  67 and name HG12 ) (resid  67 and name   HA )  4.0  2.2  1.0 ! A.162  at 2.53e+06
assign (resid  67 and name HG11 ) (resid  67 and name   HA )  4.0  2.2  1.0 ! A.161  at 2.92e+06
assign (resid  67 and name   HB ) (resid  68 and name  HB# )  3.5  0.7  0.9 ! A.347  at 3.56e+06
assign (resid  67 and name HG2# ) (resid  68 and name   HA )  4.5  2.2  2.5 ! A.114  at 2.55e+05
assign (resid  67 and name   HA ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.163  at 1.09e+06
assign (resid  67 and name HG2# ) (resid  97 and name   HB )  4.5  2.2  2.5 ! A.455  at 8.40e+05
assign (resid  67 and name   HB ) (resid  97 and name HG2# )  4.0  2.2  1.5 ! A.356  at 3.43e+06

! L68
assign (resid  68 and name   HA ) (resid  68 and name   HG )  2.5  0.7  0.4 ! A.406  at 6.68e+06
assign (resid  68 and name  HB# ) (resid  68 and name HD2# )  3.5  1.2  1.5 ! A.471  at 4.36e+06
assign (resid  68 and name HD2# ) (resid  68 and name   HA )  2.5  0.7  0.9 ! A.113  at 8.32e+06
assign (resid  68 and name  HB# ) (resid  69 and name   HA )  4.5  2.2  2.5 ! A.183  at 7.89e+05
assign (resid  68 and name  HB# ) (resid  69 and name HG1# )  4.5  2.2  3.0 ! A.428  at 1.08e+06
assign (resid  68 and name   HG ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.186  at 7.37e+05
assign (resid  68 and name HD2# ) (resid  98 and name   HB )  4.5  2.2  2.5 ! A.472  at 8.57e+05
assign (resid  68 and name  HB# ) (resid  98 and name HG2# )  3.5  1.2  1.5 ! A.348  at 4.14e+06
assign (resid  68 and name HD1# ) (resid 101 and name  HB1 )  4.5  2.2  2.5 ! A.461  at 1.29e+06

! V69
assign (resid  69 and name   HA ) (resid  70 and name  HA# )  4.5  2.2  2.5 ! A.182  at 8.32e+05
assign (resid  69 and name   HB ) (resid  70 and name  HA# )  4.0  2.2  1.5 ! A.303  at 1.54e+06
assign (resid  69 and name   HA ) (resid  72 and name   HB )  4.0  2.2  1.0 ! A.305  at 1.73e+06
assign (resid  69 and name   HA ) (resid  72 and name HG2# )  3.5  1.2  1.0 ! A.187  at 5.37e+06
assign (resid  69 and name   HA ) (resid  73 and name  HB1 )  4.5  2.2  2.0 ! A.228  at 4.71e+05
assign (resid  69 and name   HA ) (resid  73 and name   HA )  4.5  2.2  2.0 ! A.28   at 8.24e+05

! G70
assign (resid  70 and name  HA# ) (resid  73 and name  HB2 )  3.5  1.2  1.0 ! A.257  at 3.53e+06

! Q71
!assign (resid  71 and name   HA ) (resid  72 and name   HB )  4.0  2.2  1.0 ! A.76   at 2.81e+06
assign (resid  71 and name  HG2 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.278  at 6.35e+06
assign (resid  71 and name  HG2 ) (resid  97 and name   HB )  4.5  2.2  2.0 ! A.277  at 1.98e+05

! I72
assign (resid  72 and name HD1# ) (resid  72 and name   HA )  3.5  1.2  1.0 ! A.170  at 4.14e+06
assign (resid  72 and name HG2# ) (resid  72 and name   HA )  4.0  2.2  1.5 ! A.171  at 3.24e+06
assign (resid  72 and name   HB ) (resid  75 and name  HB# )  4.0  2.2  1.5 ! A.376  at 2.49e+06
assign (resid  72 and name   HA ) (resid  75 and name  HB# )  4.0  2.2  1.5 ! A.172  at 1.59e+06

! D73
assign (resid  73 and name   HA ) (resid  76 and name  HB1 )  3.5  1.2  0.5 ! A.29   at 3.71e+06

! D74
assign (resid  74 and name  HB1 ) (resid  75 and name   HA )  3.5  1.2  0.5 ! A.241  at 4.26e+06
!assign (resid  74 and name   HA ) (resid  77 and name   HA )  4.0  2.2  1.0 ! A.98   at 1.62e+06

! A75
assign (resid  75 and name  HB# ) (resid  76 and name  HB1 )  4.0  2.2  1.5 ! A.374  at 3.03e+06
assign (resid  75 and name   HA ) (resid  78 and name  HB1 )  3.5  1.2  0.5 ! A.289  at 3.62e+06

! L76
assign (resid  76 and name   HA ) (resid  76 and name HD1# )  2.5  0.7  0.9 ! A.431  at 9.95e+06
assign (resid  76 and name   HA ) (resid  76 and name HD2# )  4.0  2.2  1.5 ! A.454  at 2.79e+06
assign (resid  76 and name  HB1 ) (resid  76 and name HD1# )  2.5  0.7  0.9 ! A.433  at 1.02e+07
assign (resid  76 and name   HG ) (resid  76 and name   HA )  3.5  1.2  0.5 ! A.131  at 3.83e+06
assign (resid  76 and name   HA ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.412  at 2.86e+06
assign (resid  76 and name   HG ) (resid  79 and name  HB# )  2.5  0.7  0.9 ! A.387  at 4.55e+07

! K77
assign (resid  77 and name  HE1 ) (resid  77 and name   HA )  2.5  0.7  0.4 ! A.100  at 1.45e+07
assign (resid  77 and name  HB1 ) (resid  77 and name  HE1 )  3.5  1.2  0.5 ! A.227  at 4.25e+06
assign (resid  77 and name   HA ) (resid  80 and name  HB1 )  3.5  1.2  0.5 ! A.229  at 4.91e+06
assign (resid  77 and name   HA ) (resid  81 and name   HA )  4.5  2.2  2.0 ! A.99   at 1.23e+06

! L78
assign (resid  78 and name  HB2 ) (resid  87 and name   HA )  4.5  2.2  2.0 ! A.341  at 7.29e+05
assign (resid  78 and name  HB1 ) (resid  87 and name   HA )  3.5  1.2  0.5 ! A.110  at 4.82e+06
assign (resid  78 and name  HB2 ) (resid  90 and name  HB# )  3.5  0.7  0.9 ! A.381  at 3.55e+06

! A79

! N80

! E81
assign (resid  81 and name  HG1 ) (resid  82 and name  HA2 )  4.5  2.2  2.0 ! A.266  at 8.54e+04
assign (resid  81 and name  HB1 ) (resid  82 and name  HA1 )  4.0  1.2  0.5 ! A.47   at 3.88e+06

! G82

! K83
assign (resid  83 and name   HA ) (resid  83 and name  HG1 )  3.5  1.2  0.5 ! A.410  at 4.14e+06
assign (resid  83 and name  HD1 ) (resid  83 and name  HB2 )  4.5  2.2  2.0 ! A.361  at 1.20e+09
assign (resid  83 and name  HD1 ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.197  at 1.19e+06
assign (resid  83 and name  HE1 ) (resid  85 and name  HG# )  3.5  1.2  1.0 ! A.226  at 6.10e+06

! V84
assign (resid  84 and name   HA ) (resid  85 and name  HG# )  4.5  2.2  2.5 ! A.198  at 7.75e+05
assign (resid  84 and name   HA ) (resid  87 and name  HB# )  4.0  2.2  1.5 ! A.382  at 1.54e+06
assign (resid  84 and name   HA ) (resid  87 and name   HA )  4.5  2.2  2.0 ! A.195  at 1.12e+06

! K85
assign (resid  85 and name   HA ) (resid  86 and name   HA )  4.0  2.2  1.0 ! A.87   at 1.76e+06
assign (resid  85 and name   HA ) (resid  88 and name  HG1 )  2.5  0.7  0.4 ! A.272  at 1.06e+07

! E86

! A87

! Q88

! A89

! A90

! A91
assign (resid  91 and name  HB# ) (resid  92 and name   HA )  3.5  1.2  1.0 ! A.392  at 5.42e+06
assign (resid  91 and name   HA ) (resid  94 and name  HB1 )  4.5  2.2  2.0 ! A.337  at 1.44e+06

! E92
assign (resid  92 and name  HG# ) (resid  94 and name   HG )  4.0  2.2  1.5 ! A.363  at 1.73e+06

! Q93
assign (resid  93 and name   HA ) (resid  93 and name  HG# )  2.5  0.7  0.9 ! A.275  at 1.04e+07

! L94
assign (resid  94 and name  HB1 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.449  at 4.63e+06
assign (resid  94 and name  HB1 ) (resid  94 and name HD2# )  3.5  1.2  1.0 ! A.463  at 3.57e+06
assign (resid  94 and name  HB1 ) (resid  95 and name   HA )  4.0  2.2  1.0 ! A.119  at 2.83e+06
assign (resid  94 and name   HA ) (resid  95 and name  HG2 )  4.5  2.2  2.0 ! A.109  at 1.32e+06
assign (resid  94 and name   HA ) (resid  96 and name   HB )  4.0  2.2  1.0 ! A.43   at 1.61e+06

! K95
!assign (resid  95 and name   HA ) (resid  96 and name   HB )  4.0  2.2  1.0 ! A.42   at 1.74e+06

! T96
assign (resid  96 and name   HA ) (resid  99 and name  HB# )  3.5  1.2  1.0 ! A.326  at 3.65e+06

! T97
assign (resid  97 and name   HB ) (resid  98 and name   HB )  4.5  2.2  2.0 ! A.339  at 6.09e+05
assign (resid  97 and name   HB ) (resid 101 and name  HB1 )  4.5  2.2  2.0 ! A.214  at 6.65e+05

! I98
assign (resid  98 and name HG2# ) (resid  98 and name   HA )  4.0  2.2  1.5 ! A.157  at 1.93e+06
assign (resid  98 and name   HB ) (resid  99 and name   HA )  4.0  2.2  1.0 ! A.72   at 2.20e+06
assign (resid  98 and name HG11 ) (resid 102 and name  HB2 )  2.5  0.7  0.4 ! A.425  at 6.89e+06

! R99
assign (resid  99 and name  HG# ) (resid  99 and name   HA )  3.5  1.2  1.0 ! A.74   at 6.43e+06
assign (resid  99 and name  HB# ) (resid 100 and name   HA )  4.0  2.2  1.5 ! A.329  at 2.52e+06
assign (resid  99 and name   HA ) (resid 102 and name   HA )  4.0  2.2  1.0 ! A.12   at 1.79e+06
assign (resid  99 and name  HD2 ) (resid 102 and name  HB1 )  2.5  0.7  0.4 ! A.210  at 9.19e+06
assign (resid  99 and name  HD1 ) (resid 102 and name  HB1 )  2.5  0.7  0.4 ! A.209  at 9.66e+06
assign (resid  99 and name  HD2 ) (resid 103 and name  HG2 )  4.5  2.2  2.0 ! A.274  at 7.39e+05

! A100
assign (resid 100 and name   HA ) (resid 104 and name   HA )  4.0  2.2  1.0 ! A.141  at 1.90e+06

! Y101
assign (resid 101 and name   HA ) (resid 102 and name   HA )  4.0  2.2  1.0 ! A.92   at 2.31e+06

! N102
assign (resid 102 and name   HA ) (resid 106 and name  HA2 )  4.0  2.2  1.0 ! A.13   at 1.65e+06

! Q103

! K104
assign (resid 104 and name  HE1 ) (resid 104 and name  HG2 )  2.5  0.7  0.4 ! A.464  at 8.80e+06
assign (resid 104 and name  HD2 ) (resid 104 and name   HA )  4.5  2.2  2.0 ! A.143  at 1.37e+06
assign (resid 104 and name  HD1 ) (resid 104 and name   HA )  4.0  2.2  1.0 ! A.142  at 2.70e+06
assign (resid 104 and name  HG1 ) (resid 104 and name  HE1 )  4.0  2.2  1.0 ! A.248  at 2.71e+06
assign (resid 104 and name   HA ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.140  at 1.33e+06
assign (resid 104 and name  HG2 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.465  at 5.73e+05

! Y105

! G106


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: gdN_noesyC.PCK
!   Date: Tue Jul  1 16:36:02 EDT 2003
!   Path: /home/fengh/My_xplor/gd7_N
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   gdN_noesyC.PCK                394   171     80     76     67
!    Total                          394   171     80     76     67

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! A1
assign (resid   1 and name   HA ) (resid   2 and name   HA )  4.0  2.2  1.0 ! A.1225 at 1.72e+04

! D2
assign (resid   2 and name   HA ) (resid   3 and name  HB# )  4.0  2.2  1.5 ! A.1912 at 1.80e+04
assign (resid   2 and name   HN ) (resid   3 and name   HA )  4.5  2.2  2.0 ! A.112  at 8.56e+03
assign (resid   2 and name   HA ) (resid   3 and name  HG# )  4.0  2.2  1.5 ! A.933  at 1.54e+04
!assign (resid   2 and name   HN ) (resid   6 and name   HA )  3.5  1.2  0.5 ! A.111  at 2.89e+04

! L3
assign (resid   3 and name   HN ) (resid   3 and name HD2# )  4.5  2.2  2.5 ! A.2160 at 1.12e+04
assign (resid   3 and name   HA ) (resid   3 and name HD1# )  4.0  2.2  1.5 ! A.2130 at 1.79e+04
assign (resid   3 and name   HG ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.256  at 6.76e+04
assign (resid   3 and name HD1# ) (resid   4 and name  HG# )  2.5  0.7  1.4 ! A.2131 at 4.20e+04

! E4

! D5

! N6
assign (resid   6 and name HD21 ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.264  at 1.11e+04

! D7

! E8
assign (resid   8 and name   HA ) (resid   9 and name HG2# )  4.0  2.2  1.5 ! A.1064 at 1.51e+04

! T9
assign (resid   9 and name HG2# ) (resid  10 and name   HN )  4.5  2.2  2.5 ! A.252  at 8.51e+03

! G10

! N11
assign (resid  11 and name   HN ) (resid  11 and name HD21 )  3.5  1.2  0.5 ! A.541  at 2.92e+04
assign (resid  11 and name HD22 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.313  at 1.08e+04

! D12

! N13
assign (resid  13 and name HD22 ) (resid  13 and name   HA )  3.5  0.7  0.4 ! A.954  at 1.78e+04

! G14

! K15
assign (resid  15 and name  HD# ) (resid  15 and name   HA )  4.5  2.2  2.5 ! A.1083 at 1.16e+04
assign (resid  15 and name  HG# ) (resid  15 and name   HN )  3.0  0.7  0.9 ! A.376  at 1.18e+05
assign (resid  15 and name  HG# ) (resid  15 and name   HA )  4.5  2.2  2.5 ! A.1084 at 9.59e+03

! G16

! G17

! E18
assign (resid  18 and name  HG# ) (resid  18 and name   HA )  2.5  0.7  0.9 ! A.949  at 4.45e+04
assign (resid  18 and name   HA ) (resid  19 and name  HE1 )  3.5  0.7  0.4 ! A.1523 at 2.22e+04

! K19

! A20
!assign (resid  20 and name   HA ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1111 at 4.86e+03

! D21
assign (resid  21 and name   HN ) (resid  22 and name   HA )  4.5  2.2  2.0 ! A.269  at 8.85e+03
assign (resid  21 and name  HB# ) (resid  25 and name HE21 )  4.5  2.2  2.5 ! A.1582 at 5.62e+03

! N22
assign (resid  22 and name HD21 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.571  at 1.04e+04
assign (resid  22 and name HD22 ) (resid  84 and name HG2# )  3.5  1.2  1.0 ! A.2148 at 2.85e+04
assign (resid  22 and name   HA ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.2086 at 1.38e+04
assign (resid  22 and name  HB2 ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.2090 at 1.62e+04

! A23

! A24

! Q25
assign (resid  25 and name   HN ) (resid  25 and name HE21 )  3.5  1.2  0.5 ! A.592  at 2.26e+04
assign (resid  25 and name HE22 ) (resid  25 and name  HG# )  4.0  2.2  1.5 ! A.1639 at 1.47e+04
assign (resid  25 and name  HB# ) (resid  25 and name HE22 )  3.5  1.2  1.0 ! A.762  at 2.35e+04
assign (resid  25 and name  HG# ) (resid  26 and name HG2# )  2.5  0.7  1.4 ! A.2144 at 3.78e+04
assign (resid  25 and name  HG# ) (resid  29 and name  HB# )  2.5  0.7  1.4 ! A.1938 at 6.24e+04

! V26
assign (resid  26 and name HG1# ) (resid  26 and name   HA )  3.5  1.2  1.0 ! A.1263 at 1.87e+04

! K27
assign (resid  27 and name   HN ) (resid  27 and name  HE1 )  4.0  2.2  1.0 ! A.1562 at 1.26e+04
assign (resid  27 and name   HA ) (resid  27 and name  HD# )  3.5  1.2  1.0 ! A.1883 at 1.81e+04
assign (resid  27 and name  HE1 ) (resid  27 and name  HB# )  2.5  0.7  0.9 ! A.1867 at 5.40e+04
assign (resid  27 and name  HG# ) (resid  27 and name   HA )  4.0  2.2  1.5 ! A.1356 at 1.51e+04

! D28

! A29

! L30
assign (resid  30 and name   HA ) (resid  30 and name HD1# )  3.5  0.7  0.9 ! A.2126 at 2.91e+04
assign (resid  30 and name   HN ) (resid  31 and name   HB )  4.5  2.2  2.0 ! A.1047 at 1.19e+04

! T31
assign (resid  31 and name   HN ) (resid  31 and name   HB )  3.5  1.2  0.5 ! A.1045 at 2.57e+04
assign (resid  31 and name   HN ) (resid  31 and name HG2# )  2.5  0.7  0.9 ! A.2031 at 4.64e+04
assign (resid  31 and name   HA ) (resid  31 and name HG2# )  2.5  0.7  0.9 ! A.2035 at 4.80e+04
assign (resid  31 and name   HB ) (resid  34 and name  HD1 )  3.5  1.2  0.5 ! A.1051 at 2.63e+04
assign (resid  31 and name HG2# ) (resid  35 and name   HN )  3.5  1.2  1.0 ! A.2032 at 2.89e+04
assign (resid  31 and name   HB ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1049 at 4.61e+03

! K32
assign (resid  32 and name  HZ# ) (resid  32 and name  HB2 )  4.0  2.2  1.5 ! A.1847 at 1.30e+04
assign (resid  32 and name  HZ# ) (resid  32 and name  HD1 )  4.5  2.2  2.5 ! A.1910 at 2.72e+03
assign (resid  32 and name  HZ# ) (resid  32 and name   HA )  4.5  2.2  2.5 ! A.1191 at 3.74e+03
assign (resid  32 and name  HE1 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.353  at 3.04e+03

! M33
assign (resid  33 and name  HG1 ) (resid  33 and name  HE# )  2.5  0.7  0.9 ! A.1668 at 1.47e+05
assign (resid  33 and name  HE# ) (resid  33 and name   HN )  2.5  0.7  0.9 ! A.354  at 5.12e+04

! R34
assign (resid  34 and name   HE ) (resid  34 and name  HB1 )  4.0  2.2  1.0 ! A.1752 at 1.44e+04
assign (resid  34 and name   HE ) (resid  34 and name   HA )  4.5  2.2  2.0 ! A.1370 at 2.92e+03
assign (resid  34 and name   HA ) (resid  34 and name  HD1 )  4.5  2.2  2.0 ! A.1491 at 9.56e+03
assign (resid  34 and name  HD1 ) (resid  34 and name  HB1 )  2.5  0.7  0.4 ! A.1756 at 8.72e+04
assign (resid  34 and name   HE ) (resid  35 and name   HA )  4.5  2.2  2.0 ! A.1221 at 3.93e+03
assign (resid  34 and name   HA ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1373 at 4.57e+03
assign (resid  34 and name   HA ) (resid  38 and name HD1# )  4.0  2.2  1.5 ! A.1377 at 1.35e+04
assign (resid  34 and name   HE ) (resid  69 and name HG1# )  4.5  2.2  2.5 ! A.2098 at 2.93e+03
assign (resid  34 and name  HD1 ) (resid  72 and name HG2# )  4.5  2.2  2.5 ! A.2153 at 5.19e+03
assign (resid  34 and name   HA ) (resid  72 and name HG2# )  3.5  1.2  1.0 ! A.1376 at 2.50e+04

! A35

! A36
assign (resid  36 and name  HB# ) (resid  39 and name  HB1 )  3.5  1.2  1.0 ! A.1956 at 2.81e+04
assign (resid  36 and name  HB# ) (resid  68 and name HD2# )  4.5  2.2  3.0 ! A.1957 at 8.33e+03

! A37
assign (resid  37 and name   HN ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.284  at 7.37e+03
assign (resid  37 and name   HA ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.1313 at 8.36e+03

! L38
assign (resid  38 and name   HG ) (resid  38 and name   HA )  3.5  1.2  0.5 ! A.1347 at 2.64e+04

! D39
assign (resid  39 and name   HA ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.708  at 6.03e+03
assign (resid  39 and name   HA ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.1068 at 1.53e+04
assign (resid  39 and name   HA ) (resid  43 and name  HB# )  2.5  0.7  0.9 ! A.1071 at 4.01e+04
assign (resid  39 and name  HB1 ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.2078 at 1.04e+04
assign (resid  39 and name  HB2 ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.2079 at 6.34e+03

! A40
assign (resid  40 and name  HB# ) (resid  68 and name HD2# )  3.5  1.2  1.5 ! A.2026 at 2.19e+04

! Q41
assign (resid  41 and name HE21 ) (resid  41 and name  HB1 )  4.0  2.2  1.0 ! A.1760 at 1.75e+04
assign (resid  41 and name HE22 ) (resid  41 and name  HB1 )  4.0  2.2  1.0 ! A.1762 at 1.74e+04
assign (resid  41 and name   HA ) (resid  41 and name HE21 )  3.5  1.2  0.5 ! A.618  at 2.70e+04
assign (resid  41 and name   HA ) (resid  41 and name  HG2 )  4.5  2.2  2.0 ! A.1681 at 7.46e+03
assign (resid  41 and name  HB2 ) (resid  41 and name   HN )  3.5  1.2  0.5 ! A.566  at 1.95e+04
assign (resid  41 and name   HN ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.558  at 1.94e+04
assign (resid  41 and name  HB1 ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1761 at 1.69e+04
assign (resid  41 and name   HN ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.557  at 7.64e+03
assign (resid  41 and name   HA ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.1505 at 1.77e+04
assign (resid  41 and name  HG1 ) (resid  61 and name  HD1 )  3.5  1.2  1.0 ! A.871  at 1.84e+04
assign (resid  41 and name  HB1 ) (resid  61 and name   HZ )  4.5  2.2  2.0 ! A.903  at 1.16e+04
assign (resid  41 and name  HB2 ) (resid  61 and name   HZ )  3.5  1.2  1.0 ! A.907  at 1.93e+04

! K42
assign (resid  42 and name  HE1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.711  at 1.08e+04
assign (resid  42 and name   HN ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.707  at 6.36e+03
assign (resid  42 and name   HA ) (resid  44 and name   HN )  4.5  2.2  2.0 ! A.1120 at 9.28e+03
assign (resid  42 and name   HN ) (resid  44 and name HG2# )  4.5  2.2  2.5 ! A.718  at 3.60e+03
assign (resid  42 and name   HA ) (resid  45 and name  HD2 )  4.5  2.2  2.0 ! A.1365 at 5.21e+03
assign (resid  42 and name   HN ) (resid  46 and name  HD1 )  4.5  2.2  2.0 ! A.709  at 2.75e+03
assign (resid  42 and name  HB2 ) (resid  61 and name   HZ )  4.5  2.2  2.0 ! A.1879 at 1.64e+03
assign (resid  42 and name  HD1 ) (resid  61 and name   HZ )  4.5  2.2  2.0 ! A.1921 at 5.17e+03

! A43

! T44
assign (resid  44 and name HG2# ) (resid  44 and name   HA )  2.5  0.7  0.9 ! A.1294 at 3.80e+04
assign (resid  44 and name HG2# ) (resid  46 and name  HB# )  3.5  1.2  1.5 ! A.2080 at 2.95e+04

! P45
assign (resid  45 and name   HA ) (resid  45 and name  HG2 )  3.5  1.2  0.5 ! A.1773 at 2.23e+04
assign (resid  45 and name   HA ) (resid  45 and name  HD1 )  4.5  2.2  2.0 ! A.1328 at 1.05e+04
assign (resid  45 and name  HD2 ) (resid  45 and name   HA )  4.0  2.2  1.0 ! A.1056 at 1.34e+04

! P46

! K47
assign (resid  47 and name   HA ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.1182 at 1.14e+04

! L48
assign (resid  48 and name   HA ) (resid  48 and name HD1# )  3.5  0.7  0.9 ! A.2183 at 2.10e+04
assign (resid  48 and name   HA ) (resid  48 and name HD2# )  4.0  2.2  1.5 ! A.2248 at 1.48e+04
assign (resid  48 and name  HB1 ) (resid  48 and name HD1# )  2.5  0.7  0.9 ! A.2188 at 1.43e+05
assign (resid  48 and name HD2# ) (resid  51 and name  HE1 )  4.5  2.2  2.5 ! A.2250 at 8.28e+03
assign (resid  48 and name HD2# ) (resid  51 and name   HN )  4.5  2.2  2.5 ! A.501  at 6.48e+03
assign (resid  48 and name  HB1 ) (resid  52 and name   HA )  4.5  2.2  2.0 ! A.1892 at 7.52e+03
assign (resid  48 and name HD1# ) (resid  57 and name  HG# )  4.0  2.2  2.0 ! A.2187 at 1.46e+04
assign (resid  48 and name HD2# ) (resid  57 and name  HG# )  3.5  1.2  1.5 ! A.2251 at 2.10e+04
assign (resid  48 and name HD2# ) (resid  57 and name   HA )  3.5  1.2  1.0 ! A.1167 at 2.16e+04
assign (resid  48 and name HD1# ) (resid  60 and name  HB1 )  4.5  2.2  2.5 ! A.2186 at 8.92e+03
assign (resid  48 and name HD1# ) (resid  61 and name   HA )  4.5  2.2  2.5 ! A.2184 at 6.36e+03
assign (resid  48 and name HD2# ) (resid 101 and name  HE1 )  4.5  2.2  2.5 ! A.895  at 6.84e+03
assign (resid  48 and name HD1# ) (resid 101 and name  HE1 )  4.5  2.2  2.5 ! A.894  at 1.05e+04
assign (resid  48 and name HD2# ) (resid 105 and name  HB1 )  4.5  2.2  2.5 ! A.1501 at 1.79e+03

! E49

! D50

! K51
assign (resid  51 and name  HE1 ) (resid  51 and name  HB# )  2.5  0.7  0.9 ! A.1782 at 1.49e+05
assign (resid  51 and name  HG1 ) (resid  51 and name   HA )  3.5  1.2  0.5 ! A.987  at 2.58e+04
assign (resid  51 and name   HN ) (resid  52 and name   HA )  3.5  1.2  0.5 ! A.910  at 2.43e+04
assign (resid  51 and name  HD# ) (resid 105 and name  HD1 )  4.5  2.2  2.5 ! A.1909 at 1.03e+04
assign (resid  51 and name  HE1 ) (resid 105 and name  HD1 )  3.5  1.2  0.5 ! A.755  at 2.20e+04

! S52
assign (resid  52 and name   HA ) (resid  53 and name  HG1 )  4.0  2.2  1.0 ! A.1731 at 1.22e+04
assign (resid  52 and name   HA ) (resid  53 and name  HD1 )  3.5  1.2  0.5 ! A.915  at 2.72e+04
assign (resid  52 and name   HA ) (resid  57 and name  HB1 )  4.5  2.2  2.0 ! A.1683 at 1.16e+04

! P53
assign (resid  53 and name  HD1 ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1323 at 1.59e+04

! D54

! S55
assign (resid  55 and name  HB2 ) (resid 105 and name  HD1 )  4.5  2.2  2.0 ! A.753  at 1.07e+04
assign (resid  55 and name  HB2 ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.1286 at 7.47e+03

! P56
assign (resid  56 and name  HD1 ) (resid  57 and name   HN )  4.5  2.2  2.0 ! A.1318 at 6.06e+03
assign (resid  56 and name  HG1 ) (resid 105 and name  HE1 )  4.0  2.2  1.0 ! A.1727 at 1.41e+04
assign (resid  56 and name  HD1 ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.1319 at 2.67e+03
assign (resid  56 and name  HB2 ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.1669 at 4.52e+03
assign (resid  56 and name  HG2 ) (resid 105 and name  HE1 )  4.0  2.2  1.0 ! A.1790 at 1.77e+04
assign (resid  56 and name  HB1 ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.836  at 1.11e+04

! E57
assign (resid  57 and name   HN ) (resid  58 and name  HG2 )  4.5  2.2  2.0 ! A.1619 at 2.22e+03
assign (resid  57 and name   HA ) (resid 105 and name  HD1 )  4.5  2.2  2.0 ! A.752  at 9.56e+03
assign (resid  57 and name   HA ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.832  at 5.43e+03

! M58
assign (resid  58 and name   HA ) (resid  58 and name  HG2 )  3.5  1.2  0.5 ! A.1621 at 2.90e+04
assign (resid  58 and name   HN ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.480  at 2.67e+03
assign (resid  58 and name  HG1 ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.1565 at 3.73e+03
assign (resid  58 and name   HA ) (resid  61 and name  HD1 )  4.0  2.2  1.0 ! A.863  at 1.34e+04
assign (resid  58 and name  HE# ) (resid  61 and name  HD1 )  4.5  2.2  2.5 ! A.1673 at 3.35e+03
assign (resid  58 and name   HA ) (resid  62 and name  HD1 )  3.5  1.2  0.5 ! A.1455 at 2.00e+04
assign (resid  58 and name   HA ) (resid  62 and name  HG# )  3.5  1.2  1.0 ! A.1827 at 1.88e+04

! K59
!assign (resid  59 and name   HN ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.858  at 3.04e+03
assign (resid  59 and name  HB2 ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.839  at 8.16e+03

! D60
assign (resid  60 and name  HB2 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.179  at 4.64e+03
assign (resid  60 and name   HA ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1001 at 1.15e+04
assign (resid  60 and name   HA ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.883  at 2.14e+03
assign (resid  60 and name  HB2 ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.1580 at 3.29e+03
assign (resid  60 and name  HB2 ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.817  at 9.08e+03
assign (resid  60 and name   HA ) (resid 105 and name  HE1 )  4.5  2.2  2.0 ! A.999  at 9.99e+03

! F61
assign (resid  61 and name   HN ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1484 at 7.25e+03
assign (resid  61 and name   HN ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.859  at 3.46e+03
assign (resid  61 and name  HE1 ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.1502 at 8.84e+03
assign (resid  61 and name  HE1 ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1485 at 1.05e+04
assign (resid  61 and name  HD1 ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.1503 at 6.79e+03
assign (resid  61 and name  HD1 ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1486 at 8.94e+03
assign (resid  61 and name  HD1 ) (resid  61 and name   HA )  4.5  2.2  2.0 ! A.1095 at 8.19e+03
assign (resid  61 and name   HZ ) (resid  61 and name  HD1 )  4.5  2.2  2.0 ! A.862  at 4.90e+03
assign (resid  61 and name   HZ ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.1504 at 2.32e+03
assign (resid  61 and name   HZ ) (resid  61 and name  HB1 )  4.5  2.2  2.0 ! A.1487 at 2.60e+03
assign (resid  61 and name  HB2 ) (resid  61 and name   HN )  4.5  2.2  2.0 ! A.392  at 4.66e+03
assign (resid  61 and name  HE1 ) (resid  62 and name  HD1 )  4.5  2.2  2.0 ! A.1453 at 3.28e+03
assign (resid  61 and name  HD1 ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.865  at 8.74e+03
assign (resid  61 and name  HD1 ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.1479 at 2.30e+03
assign (resid  61 and name   HA ) (resid  62 and name   HN )  4.0  2.2  1.0 ! A.140  at 1.51e+04
assign (resid  61 and name   HZ ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.899  at 3.77e+03
assign (resid  61 and name   HZ ) (resid  62 and name  HD1 )  4.5  2.2  2.0 ! A.900  at 2.99e+03
assign (resid  61 and name  HD1 ) (resid  62 and name  HD1 )  4.5  2.2  2.0 ! A.866  at 3.42e+03
assign (resid  61 and name  HD1 ) (resid  62 and name  HG# )  4.5  2.2  2.5 ! A.874  at 5.35e+03
assign (resid  61 and name   HZ ) (resid  62 and name  HG# )  4.5  2.2  2.5 ! A.904  at 7.64e+03
assign (resid  61 and name   HA ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.1092 at 8.79e+03
assign (resid  61 and name   HA ) (resid  63 and name  HB1 )  4.5  2.2  2.0 ! A.1100 at 9.60e+03
assign (resid  61 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.385  at 5.52e+03
assign (resid  61 and name   HN ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.387  at 3.67e+03
assign (resid  61 and name   HA ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.884  at 4.91e+03
assign (resid  61 and name   HZ ) (resid  65 and name  HD1 )  3.5  1.2  0.5 ! A.792  at 1.99e+04

! R62
assign (resid  62 and name   HA ) (resid  62 and name  HD1 )  4.0  2.2  1.0 ! A.1456 at 1.30e+04
assign (resid  62 and name   HA ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.1480 at 7.86e+03
assign (resid  62 and name  HD2 ) (resid  65 and name  HE1 )  4.5  2.2  2.0 ! A.687  at 4.11e+03
assign (resid  62 and name   HA ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.1362 at 5.61e+03
assign (resid  62 and name  HD2 ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.797  at 5.88e+03
assign (resid  62 and name  HB# ) (resid  65 and name  HD1 )  3.5  0.7  0.9 ! A.802  at 3.50e+04
assign (resid  62 and name  HG# ) (resid  65 and name  HD1 )  3.5  1.2  1.0 ! A.803  at 1.84e+04

! H63
assign (resid  63 and name  HB2 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.304  at 2.45e+03
assign (resid  63 and name   HA ) (resid  66 and name   HA )  4.0  2.2  1.0 ! A.1038 at 1.76e+04
assign (resid  63 and name  HB1 ) (resid  67 and name   HN )  4.0  2.2  1.0 ! A.1445 at 1.32e+04
assign (resid  63 and name  HB1 ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.812  at 4.39e+03
assign (resid  63 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.784  at 8.50e+03

! G64
assign (resid  64 and name  HA2 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.1426 at 3.89e+03
assign (resid  64 and name   HN ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.301  at 2.03e+03
assign (resid  64 and name  HA1 ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.810  at 7.41e+03
assign (resid  64 and name  HA1 ) (resid 101 and name  HE1 )  4.5  2.2  2.0 ! A.886  at 5.46e+03
assign (resid  64 and name  HA2 ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.811  at 4.86e+03
assign (resid  64 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.301  at 4.44e+03

! F65
assign (resid  65 and name  HE1 ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1560 at 4.14e+03
assign (resid  65 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.772  at 8.78e+05
assign (resid  65 and name  HD1 ) (resid  65 and name   HZ )  3.5  1.2  0.5 ! A.824  at 2.83e+04
assign (resid  65 and name  HD1 ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1615 at 9.26e+03
assign (resid  65 and name   HZ ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1616 at 7.11e+03
assign (resid  65 and name  HD1 ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.533  at 1.52e+04
assign (resid  65 and name   HZ ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.534  at 5.49e+03
assign (resid  65 and name   HZ ) (resid  66 and name  HB2 )  4.5  2.2  2.0 ! A.1604 at 8.23e+03
assign (resid  65 and name   HZ ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.1037 at 1.01e+04
assign (resid  65 and name   HN ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.739  at 1.91e+03
assign (resid  65 and name  HB1 ) (resid  68 and name   HN )  4.5  2.2  2.0 ! A.653  at 4.22e+03
assign (resid  65 and name   HA ) (resid  68 and name HD2# )  4.5  2.2  2.5 ! A.1194 at 8.25e+03
assign (resid  65 and name  HD1 ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.781  at 6.79e+03
assign (resid  65 and name   HZ ) (resid  69 and name HG1# )  4.5  2.2  2.5 ! A.2100 at 2.69e+03
assign (resid  65 and name  HD1 ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1574 at 8.25e+03
assign (resid  65 and name  HD1 ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.804  at 6.79e+03

! D66
assign (resid  66 and name  HB1 ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.2055 at 1.17e+04
assign (resid  66 and name  HB2 ) (resid  67 and name HG11 )  4.0  2.2  1.0 ! A.2056 at 1.62e+04
assign (resid  66 and name   HA ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.1040 at 1.13e+04
assign (resid  66 and name   HA ) (resid  69 and name HG2# )  4.0  2.2  1.5 ! A.2135 at 1.75e+04
assign (resid  66 and name   HA ) (resid  69 and name   HN )  4.0  2.2  1.0 ! A.64   at 1.38e+04
assign (resid  66 and name   HA ) (resid  69 and name HG1# )  2.5  0.7  0.9 ! A.1041 at 3.83e+04

! I67
assign (resid  67 and name   HN ) (resid  67 and name   HB )  4.0  2.2  1.0 ! A.1865 at 1.34e+04
assign (resid  67 and name   HN ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.2116 at 4.99e+03
assign (resid  67 and name   HA ) (resid  67 and name HG2# )  3.5  1.2  1.0 ! A.2200 at 2.61e+04
assign (resid  67 and name HG11 ) (resid  67 and name   HA )  2.5  0.7  0.4 ! A.1399 at 3.17e+04
assign (resid  67 and name HG11 ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.627  at 3.24e+04
assign (resid  67 and name HG2# ) (resid  68 and name   HN )  4.5  2.2  2.5 ! A.2196 at 6.97e+03
assign (resid  67 and name HG11 ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.659  at 1.61e+04
assign (resid  67 and name HG2# ) (resid  68 and name HD1# )  4.5  2.2  3.0 ! A.2220 at 1.31e+06
assign (resid  67 and name HG2# ) (resid  71 and name HE21 )  4.0  2.2  1.5 ! A.2197 at 1.29e+04
assign (resid  67 and name HG2# ) (resid  71 and name HE22 )  4.5  2.2  2.5 ! A.2198 at 1.02e+04
assign (resid  67 and name   HA ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.1632 at 2.27e+03
assign (resid  67 and name HG2# ) (resid  71 and name  HB# )  2.5  0.7  1.4 ! A.2204 at 1.06e+05
assign (resid  67 and name HG2# ) (resid 101 and name  HB1 )  3.5  1.2  1.0 ! A.2202 at 2.47e+04

! L68
assign (resid  68 and name   HA ) (resid  68 and name HD2# )  4.0  2.2  1.5 ! A.2262 at 1.70e+04
assign (resid  68 and name  HB# ) (resid  68 and name HD2# )  3.5  1.2  1.5 ! A.2265 at 2.99e+04
assign (resid  68 and name   HG ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.658  at 1.39e+04
assign (resid  68 and name HD2# ) (resid  69 and name   HN )  4.5  2.2  2.5 ! A.76   at 5.45e+03
assign (resid  68 and name   HN ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.1435 at 5.71e+03
assign (resid  68 and name HD1# ) (resid  69 and name   HN )  4.0  2.2  1.5 ! A.75   at 1.49e+04
assign (resid  68 and name HD2# ) (resid  71 and name HE21 )  4.5  2.2  2.5 ! A.705  at 1.56e+03
assign (resid  68 and name HD2# ) (resid  71 and name HE22 )  4.5  2.2  2.5 ! A.856  at 2.37e+03
assign (resid  68 and name  HB# ) (resid  71 and name   HN )  4.0  2.2  1.5 ! A.513  at 1.36e+04
assign (resid  68 and name   HG ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.851  at 5.10e+03
assign (resid  68 and name HD1# ) (resid  98 and name   HN )  3.5  1.2  1.0 ! A.2206 at 2.11e+04
assign (resid  68 and name HD1# ) (resid  98 and name   HA )  2.5  0.7  0.9 ! A.2214 at 4.27e+04
assign (resid  68 and name HD2# ) (resid  98 and name   HB )  4.5  2.2  2.5 ! A.1820 at 3.00e+03
assign (resid  68 and name HD2# ) (resid  98 and name HG2# )  4.5  2.2  3.0 ! A.2129 at 7.38e+03
assign (resid  68 and name HD1# ) (resid 101 and name  HB1 )  4.5  2.2  2.5 ! A.2215 at 4.76e+03

! V69
assign (resid  69 and name   HB ) (resid  69 and name   HN )  3.5  1.2  0.5 ! A.70   at 2.13e+04
assign (resid  69 and name HG1# ) (resid  69 and name   HN )  2.5  0.7  0.9 ! A.73   at 3.60e+04

! G70

! Q71
assign (resid  71 and name   HN ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.842  at 5.14e+03
assign (resid  71 and name   HN ) (resid  71 and name  HB# )  4.0  2.2  1.5 ! A.1716 at 1.76e+04
assign (resid  71 and name HE21 ) (resid  71 and name   HA )  4.0  2.2  1.0 ! A.1142 at 1.73e+04
assign (resid  71 and name HE21 ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.1631 at 3.05e+03
assign (resid  71 and name HE22 ) (resid  71 and name  HG2 )  4.5  2.2  2.0 ! A.1651 at 5.26e+03
assign (resid  71 and name HE22 ) (resid  71 and name  HB# )  2.5  0.7  0.9 ! A.1718 at 3.02e+04
assign (resid  71 and name  HG1 ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.847  at 9.28e+03
assign (resid  71 and name HE21 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.149  at 5.16e+03
assign (resid  71 and name HE22 ) (resid  72 and name HG11 )  4.5  2.2  2.0 ! A.2111 at 5.16e+03
assign (resid  71 and name   HA ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.1145 at 8.14e+03
assign (resid  71 and name   HA ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.1139 at 1.23e+04
assign (resid  71 and name HE21 ) (resid  94 and name HD1# )  4.5  2.2  2.5 ! A.703  at 4.80e+03
assign (resid  71 and name   HA ) (resid  94 and name HD2# )  4.5  2.2  2.5 ! A.1147 at 5.04e+03
assign (resid  71 and name HE22 ) (resid  97 and name   HA )  4.5  2.2  2.0 ! A.1265 at 9.45e+03
assign (resid  71 and name HE22 ) (resid  97 and name HG2# )  4.5  2.2  2.5 ! A.852  at 4.53e+03

! I72
assign (resid  72 and name   HN ) (resid  72 and name HG2# )  3.5  1.2  1.0 ! A.2151 at 2.52e+04
assign (resid  72 and name   HN ) (resid  72 and name HG11 )  3.5  1.2  0.5 ! A.2108 at 2.47e+04
assign (resid  72 and name HG11 ) (resid  72 and name   HA )  2.5  0.7  0.4 ! A.1420 at 5.88e+04

! D73
assign (resid  73 and name   HA ) (resid  76 and name HD2# )  3.5  1.2  1.0 ! A.996  at 1.91e+04

! D74

! A75

! L76
assign (resid  76 and name   HA ) (resid  76 and name HD2# )  3.0  0.7  0.9 ! A.2191 at 3.20e+04
assign (resid  76 and name  HB1 ) (resid  76 and name HD2# )  2.5  0.7  0.9 ! A.2193 at 1.53e+05
assign (resid  76 and name HD1# ) (resid  76 and name   HA )  2.5  0.7  0.9 ! A.1303 at 3.63e+04
assign (resid  76 and name   HG ) (resid  80 and name   HA )  3.5  1.2  0.5 ! A.1013 at 2.39e+04

! K77
assign (resid  77 and name  HE1 ) (resid  77 and name  HG1 )  3.5  1.2  0.5 ! A.1951 at 2.42e+04
assign (resid  77 and name  HB1 ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.435  at 2.45e+04
assign (resid  77 and name  HD1 ) (resid  77 and name   HN )  4.0  2.2  1.0 ! A.436  at 1.64e+04

! L78
assign (resid  78 and name   HA ) (resid  78 and name HD2# )  2.5  0.7  0.9 ! A.2180 at 7.58e+04

! A79
assign (resid  79 and name   HN ) (resid  80 and name   HA )  4.5  2.2  2.0 ! A.380  at 1.01e+04
assign (resid  79 and name   HA ) (resid  83 and name   HA )  3.5  1.2  0.5 ! A.1407 at 2.57e+04
assign (resid  79 and name   HA ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.1411 at 3.97e+03
assign (resid  79 and name  HB# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.2017 at 1.24e+04

! N80
assign (resid  80 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.580  at 1.10e+04
assign (resid  80 and name HD21 ) (resid  80 and name  HB2 )  4.0  2.2  1.0 ! A.1561 at 1.55e+04
assign (resid  80 and name HD21 ) (resid  80 and name  HB1 )  4.5  2.2  2.0 ! A.1534 at 8.61e+03
assign (resid  80 and name HD22 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.159  at 3.22e+03
assign (resid  80 and name HD22 ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.470  at 4.89e+03

! E81
assign (resid  81 and name   HA ) (resid  81 and name  HG1 )  2.5  0.7  0.4 ! A.1628 at 3.69e+04
assign (resid  81 and name   HA ) (resid  81 and name  HG2 )  3.5  1.2  0.5 ! A.1657 at 2.16e+04

! G82

! K83
assign (resid  83 and name  HD1 ) (resid  83 and name   HA )  3.0  0.7  0.6 ! A.964  at 1.10e+05
assign (resid  83 and name  HG2 ) (resid  83 and name  HE1 )  4.5  2.2  2.0 ! A.1527 at 9.83e+03
assign (resid  83 and name   HA ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.1462 at 1.74e+04
assign (resid  83 and name   HA ) (resid  84 and name HG2# )  3.5  0.7  0.9 ! A.966  at 4.05e+04
assign (resid  83 and name   HN ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.341  at 4.48e+03
assign (resid  83 and name  HG1 ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.1997 at 4.92e+03
assign (resid  83 and name  HG2 ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.2027 at 9.86e+03

! V84
assign (resid  84 and name   HA ) (resid  84 and name HG1# )  2.5  0.7  0.9 ! A.2089 at 3.87e+04
assign (resid  84 and name   HA ) (resid  84 and name HG2# )  2.5  0.7  0.9 ! A.2149 at 3.63e+04
assign (resid  84 and name HG1# ) (resid  85 and name   HN )  4.0  2.2  1.5 ! A.133  at 1.68e+04
assign (resid  84 and name   HA ) (resid  87 and name  HB# )  3.5  1.2  1.0 ! A.1948 at 2.41e+04

! K85
assign (resid  85 and name   HN ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.116  at 2.43e+04

! E86

! A87

! Q88
assign (resid  88 and name   HA ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.796  at 2.21e+04
assign (resid  88 and name HE22 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.425  at 2.37e+03
assign (resid  88 and name HE22 ) (resid  89 and name   HA )  3.5  1.2  0.5 ! A.1159 at 1.97e+04

! A89

! A90

! A91

! E92

! Q93
assign (resid  93 and name HE22 ) (resid  93 and name  HG1 )  4.5  2.2  2.0 ! A.1647 at 8.92e+03
assign (resid  93 and name HE21 ) (resid  94 and name HD2# )  2.5  0.7  0.9 ! A.591  at 4.30e+04

! L94
assign (resid  94 and name   HN ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.2163 at 1.94e+04

! K95

! T96
assign (resid  96 and name   HN ) (resid  96 and name   HB )  2.5  0.7  0.4 ! A.1054 at 3.10e+04
assign (resid  96 and name HG2# ) (resid  96 and name   HN )  3.5  1.2  1.0 ! A.614  at 2.48e+04
assign (resid  96 and name   HB ) (resid  99 and name   HN )  4.0  2.2  1.0 ! A.1053 at 1.50e+04
assign (resid  96 and name   HN ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.545  at 1.08e+06

! T97
assign (resid  97 and name   HB ) (resid  98 and name HG11 )  4.5  2.2  2.0 ! A.1153 at 7.43e+03
assign (resid  97 and name HG2# ) (resid 100 and name  HB# )  2.5  0.7  1.4 ! A.2050 at 3.56e+05

! I98
assign (resid  98 and name HG11 ) (resid  98 and name   HA )  3.5  1.2  0.5 ! A.1390 at 2.26e+04
assign (resid  98 and name   HN ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.33   at 8.85e+03
assign (resid  98 and name HG11 ) (resid  99 and name  HD1 )  3.5  1.2  0.5 ! A.2071 at 2.13e+04
assign (resid  98 and name HG11 ) (resid 100 and name   HN )  4.5  2.2  2.0 ! A.2069 at 9.45e+03
assign (resid  98 and name HG11 ) (resid 102 and name  HB2 )  4.5  2.2  2.0 ! A.2073 at 1.20e+04

! R99
assign (resid  99 and name   HN ) (resid  99 and name  HD2 )  4.0  2.2  1.0 ! A.1482 at 1.31e+04
assign (resid  99 and name  HD1 ) (resid 100 and name   HA )  4.5  2.2  2.0 ! A.1275 at 4.43e+03

! A100
assign (resid 100 and name   HA ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.787  at 2.56e+03
assign (resid 100 and name   HA ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.669  at 9.86e+03

! Y101
assign (resid 101 and name  HD1 ) (resid 101 and name  HB1 )  3.5  1.2  0.5 ! A.1516 at 2.00e+04
assign (resid 101 and name  HE1 ) (resid 101 and name   HA )  4.5  2.2  2.0 ! A.1186 at 3.24e+03
assign (resid 101 and name  HE1 ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.1547 at 5.27e+03
assign (resid 101 and name  HE1 ) (resid 101 and name  HB1 )  4.5  2.2  2.0 ! A.1517 at 7.43e+03
assign (resid 101 and name   HA ) (resid 101 and name  HD1 )  2.5  0.7  0.4 ! A.809  at 5.41e+04
assign (resid 101 and name  HB2 ) (resid 101 and name  HD1 )  2.5  0.7  0.4 ! A.816  at 6.18e+04
assign (resid 101 and name  HE1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.635  at 3.92e+03
assign (resid 101 and name  HD1 ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.807  at 7.19e+03
assign (resid 101 and name  HE1 ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.882  at 5.26e+03
assign (resid 101 and name  HD1 ) (resid 104 and name  HD1 )  4.5  2.2  2.0 ! A.1958 at 3.33e+03
assign (resid 101 and name  HD1 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.1905 at 2.27e+03
assign (resid 101 and name  HD1 ) (resid 104 and name  HG2 )  4.0  2.2  1.0 ! A.821  at 1.40e+04
assign (resid 101 and name  HE1 ) (resid 105 and name  HD1 )  4.0  2.2  1.0 ! A.880  at 1.56e+04
assign (resid 101 and name  HD1 ) (resid 105 and name  HD1 )  4.0  2.2  1.0 ! A.805  at 1.40e+04

! N102
assign (resid 102 and name HD21 ) (resid 102 and name   HA )  3.5  1.2  0.5 ! A.969  at 2.55e+04
assign (resid 102 and name HD22 ) (resid 102 and name  HB1 )  4.5  2.2  2.0 ! A.1509 at 7.77e+03
assign (resid 102 and name   HA ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.788  at 5.87e+03
assign (resid 102 and name HD21 ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.1251 at 7.80e+03

! Q103

! K104
assign (resid 104 and name   HA ) (resid 104 and name  HG2 )  3.5  1.2  0.5 ! A.2237 at 2.38e+04
assign (resid 104 and name  HE1 ) (resid 104 and name  HG1 )  4.0  2.2  1.0 ! A.2064 at 1.64e+04
assign (resid 104 and name  HE1 ) (resid 104 and name  HG2 )  4.5  2.2  2.0 ! A.2239 at 3.47e+03
assign (resid 104 and name  HG1 ) (resid 104 and name   HA )  2.5  0.7  0.4 ! A.1317 at 3.96e+04
assign (resid 104 and name  HG2 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1080 at 7.75e+03
!assign (resid 104 and name  HB2 ) (resid 105 and name  HB2 )  4.0  2.2  1.0 ! A.1916 at 1.48e+04
assign (resid 104 and name  HG2 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.2240 at 6.85e+03
assign (resid 104 and name  HG1 ) (resid 105 and name   HA )  3.5  1.2  0.5 ! A.1079 at 2.51e+04
assign (resid 104 and name  HG2 ) (resid 105 and name  HE1 )  3.5  1.2  0.5 ! A.840  at 2.18e+04

! Y105
assign (resid 105 and name  HD1 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1074 at 8.15e+03
assign (resid 105 and name  HD1 ) (resid 105 and name  HB1 )  3.5  1.2  0.5 ! A.1494 at 2.17e+04
assign (resid 105 and name  HE1 ) (resid 105 and name  HB1 )  4.5  2.2  2.0 ! A.1496 at 4.27e+03
assign (resid 105 and name  HE1 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1075 at 9.35e+03
!assign (resid 105 and name  HB2 ) (resid 105 and name  HE1 )  4.0  2.2  1.0 ! A.835  at 1.64e+04
assign (resid 105 and name  HB2 ) (resid 105 and name  HD1 )  3.0  0.7  0.6 ! A.756  at 5.81e+04
assign (resid 105 and name  HB1 ) (resid 106 and name  HA1 )  4.0  2.2  1.0 ! A.1499 at 1.22e+04

! G106


!@ END_XPLR_NOE_FILE
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name CA  )
       ( resid 2    and name C   )  1.7539  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name CA  )
       ( resid 3    and name C   )  1.4766  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name CA  )
       ( resid 4    and name C   )  1.6328  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name CA  )
       ( resid 5    and name C   )  0.5586  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name CA  )
       ( resid 6    and name C   )  1.4180  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name CA  )
       ( resid 7    and name C   )  0.7657  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name CA  )
       ( resid 8    and name C   )  0.8750  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name CA  )
       ( resid 9    and name C   )  1.3633  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name CA  )
       ( resid 10   and name C   )  1.6563  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name CA  )
       ( resid 11   and name C   )  1.5821  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name CA  )
       ( resid 12   and name C   )  1.6484  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name CA  )
       ( resid 13   and name C   )  0.8867  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name CA  )
       ( resid 14   and name C   )  1.2774  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name CA  )
       ( resid 15   and name C   )  1.6445  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name CA  )
       ( resid 16   and name C   )  3.2227  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name CA  )
       ( resid 17   and name C   )  0.1367  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name CA  )
       ( resid 18   and name C   )  -0.6406  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name CA  )
       ( resid 19   and name C   )  0.6055  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name CA  )
       ( resid 20   and name C   )  -0.8438  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name CA  )
       ( resid 21   and name C   )  0.2929  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name CA  )
       ( resid 3    and name HA  )  -1.4050  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name CA  )
       ( resid 4    and name HA  )  1.4140  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name CA  )
       ( resid 6    and name HA  )  -2.4420  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name CA  )
       ( resid 8    and name HA  )  2.2370  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name CA  )
       ( resid 9    and name HA  )  0.7080  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name CA  )
       ( resid 11   and name HA  )  1.5740  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name CA  )
       ( resid 15   and name HA  )  0.2130  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name CA  )
       ( resid 18   and name HA  )  1.7560  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name CA  )
       ( resid 19   and name HA  )  4.8580  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 1    and name C   )
       ( resid 2    and name N   )  -0.4424  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name C   )
       ( resid 3    and name N   )  1.1826  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name C   )
       ( resid 5    and name N   )  1.7451  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name C   )
       ( resid 6    and name N   )  0.7832  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name C   )
       ( resid 8    and name N   )  1.3086  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name C   )
       ( resid 9    and name N   )  1.6719  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name C   )
       ( resid 10   and name N   )  2.3906  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )  2.4365  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name C   )
       ( resid 13   and name N   )  0.7393  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name N   )  1.4561  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name C   )
       ( resid 16   and name N   )  1.4082  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name N   )  1.9912  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name N   )  1.7148  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name C   )
       ( resid 20   and name N   )  1.4248  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name C   )
       ( resid 21   and name N   )  0.0596  50.000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  0.0010  50.000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  -0.5610  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  0.3200  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  0.6270  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  0.7510  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  -0.1710  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  0.2860  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -0.3720  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  0.6320  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  -1.1760  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  0.1460  0.5000 50.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  -0.6740  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -1.9910  50.000 0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  1.4030  0.5000 50.000


!!   D2 
assign ( resid 1 and name c ) ( resid 2 and name n )
       ( resid 2 and name ca) ( resid 2 and name c )
       ( resid 3 and name n )                           52.83 40.42

!!   L3 
assign ( resid 2 and name c ) ( resid 3 and name n )
       ( resid 3 and name ca) ( resid 3 and name c )
       ( resid 4 and name n )                           54.30 41.08

!!   E4
assign ( resid 3 and name c ) ( resid 4 and name n )
       ( resid 4 and name ca) ( resid 4 and name c )
       ( resid 5 and name n )                           55.12 28.79

!!   D5
assign ( resid 4 and name c ) ( resid 5 and name n )
       ( resid 5 and name ca) ( resid 5 and name c )
       ( resid 6 and name n )                           52.73 39.62

!!   N6
assign ( resid 5 and name c ) ( resid 6 and name n )
       ( resid 6 and name ca) ( resid 6 and name c )
       ( resid 7 and name n )                           52.02 38.08

!!   D7
assign ( resid 6 and name c ) ( resid 7 and name n )
       ( resid 7 and name ca) ( resid 7 and name c )
       ( resid 8 and name n )                           53.27 39.64

!!   E8
assign ( resid 7 and name c ) ( resid 8 and name n )
       ( resid 8 and name ca) ( resid 8 and name c )
       ( resid 9 and name n )                           55.53 28.48

!!   T9
assign ( resid 8 and name c ) ( resid 9 and name n )
       ( resid 9 and name ca) ( resid 9 and name c )
       ( resid 10 and name n )                          61.21 68.64

!!   G10
assign ( resid 9 and name c ) ( resid 10 and name n )
       ( resid 10 and name ca) ( resid 10 and name c )
       ( resid 11 and name n )                          44.48 0.000

!!   N11
assign ( resid 10 and name c ) ( resid 11 and name n )
       ( resid 11 and name ca) ( resid 11 and name c )
       ( resid 12 and name n )                           52.02 37.98

!!   D12
assign ( resid 11 and name c ) ( resid 12 and name n )
       ( resid 12 and name ca) ( resid 12 and name c )
       ( resid 13 and name n )                           53.16 39.84

!!   N13
assign ( resid 12 and name c ) ( resid 13 and name n )
       ( resid 13 and name ca) ( resid 13 and name c )
       ( resid 14 and name n )                           52.33 37.57

!!   G14
assign ( resid 13 and name c ) ( resid 14 and name n )
       ( resid 14 and name ca) ( resid 14 and name c )
       ( resid 15 and name n )                           44.69 0.000

!!   K15
assign ( resid 14 and name c ) ( resid 15 and name n )
       ( resid 15 and name ca) ( resid 15 and name c )
       ( resid 16 and name n )                           55.22 31.68

!!   G16
assign ( resid 15 and name c ) ( resid 16 and name n )
       ( resid 16 and name ca) ( resid 16 and name c )
       ( resid 17 and name n )                           44.48 0.000

!!   G17
assign ( resid 16 and name c ) ( resid 17 and name n )
       ( resid 17 and name ca) ( resid 17 and name c )
       ( resid 18 and name n )                           44.17 0.000

!!   E18
assign ( resid 17 and name c ) ( resid 18 and name n )
       ( resid 18 and name ca) ( resid 18 and name c )
       ( resid 19 and name n )                           55.64 28.89

!!   K19
assign ( resid 18 and name c ) ( resid 19 and name n )
       ( resid 19 and name ca) ( resid 19 and name c )
       ( resid 20 and name n )                           55.12 31.78

!!   A20
assign ( resid 19 and name c ) ( resid 20 and name n )
       ( resid 20 and name ca) ( resid 20 and name c )
       ( resid 21 and name n )                           51.41 18.25

!!   D21
assign ( resid 20 and name c ) ( resid 21 and name n )
       ( resid 21 and name ca) ( resid 21 and name c )
       ( resid 22 and name n )                           52.64 39.94

!!   N22
assign ( resid 21 and name c ) ( resid 22 and name n )
       ( resid 22 and name ca) ( resid 22 and name c )
       ( resid 23 and name n )                           53.37 37.57

!!   A23
assign ( resid 22 and name c ) ( resid 23 and name n )
       ( resid 23 and name ca) ( resid 23 and name c )
       ( resid 24 and name n )                           53.32 17.64

!!   A24
assign ( resid 23 and name c ) ( resid 24 and name n )
       ( resid 24 and name ca) ( resid 24 and name c )
       ( resid 25 and name n )                           54.29 17.12

!!   Q25
assign ( resid 24 and name c ) ( resid 25 and name n )
       ( resid 25 and name ca) ( resid 25 and name c )
       ( resid 26 and name n )                           58.01 27.24

!!   V26
assign ( resid 25 and name c ) ( resid 26 and name n )
       ( resid 26 and name ca) ( resid 26 and name c )
       ( resid 27 and name n )                           64.01 30.44

!!   K27
assign ( resid 26 and name c ) ( resid 27 and name n )
       ( resid 27 and name ca) ( resid 27 and name c )
       ( resid 28 and name n )                           59.46 30.96

!!   D28
assign ( resid 27 and name c ) ( resid 28 and name n )
       ( resid 28 and name ca) ( resid 28 and name c )
       ( resid 29 and name n )                           56.46 40.46

!!   A29
assign ( resid 28 and name c ) ( resid 29 and name n )
       ( resid 29 and name ca) ( resid 29 and name c )
       ( resid 30 and name n )                           54.09 16.71

!!   L30
assign ( resid 29 and name c ) ( resid 30 and name n )
       ( resid 30 and name ca) ( resid 30 and name c )
       ( resid 31 and name n )                           56.67 41.59

!!   T31
assign ( resid 30 and name c ) ( resid 31 and name n )
       ( resid 31 and name ca) ( resid 31 and name c )
       ( resid 32 and name n )                           65.83 67.82

!!   K32
assign ( resid 31 and name c ) ( resid 32 and name n )
       ( resid 32 and name ca) ( resid 32 and name c )
       ( resid 33 and name n )                           58.73 31.37

!!   M33
assign ( resid 32 and name c ) ( resid 33 and name n )
       ( resid 33 and name ca) ( resid 33 and name c )
       ( resid 34 and name n )                           58.12 33.33

!!   R34
assign ( resid 33 and name c ) ( resid 34 and name n )
       ( resid 34 and name ca) ( resid 34 and name c )
       ( resid 35 and name n )                           58.73 29.72

!!   A35
assign ( resid 34 and name c ) ( resid 35 and name n )
       ( resid 35 and name ca) ( resid 35 and name c )
       ( resid 36 and name n )                           53.88 16.81

!!   A36
assign ( resid 35 and name c ) ( resid 36 and name n )
       ( resid 36 and name ca) ( resid 36 and name c )
       ( resid 37 and name n )                           53.47 16.81

!!   A37
assign ( resid 36 and name c ) ( resid 37 and name n )
       ( resid 37 and name ca) ( resid 37 and name c )
       ( resid 38 and name n )                           53.68 16.50

!!   L38
assign ( resid 37 and name c ) ( resid 38 and name n )
       ( resid 38 and name ca) ( resid 38 and name c )
       ( resid 39 and name n )                           56.46 40.35

!!   D39
assign ( resid 38 and name c ) ( resid 39 and name n )
       ( resid 39 and name ca) ( resid 39 and name c )
       ( resid 40 and name n )                           55.95 39.22 

!!   A40
assign ( resid 39 and name c ) ( resid 40 and name n )
       ( resid 40 and name ca) ( resid 40 and name c )
       ( resid 41 and name n )                           53.57 17.84

!!   Q41
assign ( resid 40 and name c ) ( resid 41 and name n )
       ( resid 41 and name ca) ( resid 41 and name c )
       ( resid 42 and name n )                           56.46 27.96

!!   K42
assign ( resid 41 and name c ) ( resid 42 and name n )
       ( resid 42 and name ca) ( resid 42 and name c )
       ( resid 43 and name n )                           55.33 32.09

!!   A43
assign ( resid 42 and name c ) ( resid 43 and name n )
       ( resid 43 and name ca) ( resid 43 and name c )
       ( resid 44 and name n )                           49.75 19.19

!!   T44
assign ( resid 43 and name c ) ( resid 44 and name n )
       ( resid 44 and name ca) ( resid 44 and name c )
       ( resid 45 and name n )                           58.73 68.54

!!   P45
assign ( resid 44 and name c ) ( resid 45 and name n )
       ( resid 45 and name ca) ( resid 45 and name c )
       ( resid 46 and name n )                           63.54 31.24

!!   P46
assign ( resid 45 and name c ) ( resid 46 and name n )
       ( resid 46 and name ca) ( resid 46 and name c )
       ( resid 47 and name n )                           64.83 31.58

!!   K47
assign ( resid 46 and name c ) ( resid 47 and name n )
       ( resid 47 and name ca) ( resid 47 and name c )
       ( resid 48 and name n )                           56.98 31.89

!!   L48
assign ( resid 47 and name c ) ( resid 48 and name n )
       ( resid 48 and name ca) ( resid 48 and name c )
       ( resid 49 and name n )                           51.82 40.78

!!   D50
assign ( resid 49 and name c ) ( resid 50 and name n )
       ( resid 50 and name ca) ( resid 50 and name c )
       ( resid 51 and name n )                           52.23 38.81

!!   K51
assign ( resid 50 and name c ) ( resid 51 and name n )
       ( resid 51 and name ca) ( resid 51 and name c )
       ( resid 52 and name n )                           52.23 31.79

!!   S52
assign ( resid 51 and name c ) ( resid 52 and name n )
       ( resid 52 and name ca) ( resid 52 and name c )
       ( resid 53 and name n )                           55.64 61.63

!!   P53
assign ( resid 52 and name c ) ( resid 53 and name n )
       ( resid 53 and name ca) ( resid 53 and name c )
       ( resid 54 and name n )                           64.41 30.75

!!   D54
assign ( resid 53 and name c ) ( resid 54 and name n )
       ( resid 54 and name ca) ( resid 54 and name c )
       ( resid 55 and name n )                           51.82 39.63

!!   S55
assign ( resid 54 and name c ) ( resid 55 and name n )
       ( resid 55 and name ca) ( resid 55 and name c )
       ( resid 56 and name n )                           56.05 62.25

!!   P56
assign ( resid 55 and name c ) ( resid 56 and name n )
       ( resid 56 and name ca) ( resid 56 and name c )
       ( resid 57 and name n )                           64.21 30.55

!!   E57
assign ( resid 56 and name c ) ( resid 57 and name n )
       ( resid 57 and name ca) ( resid 57 and name c )
       ( resid 58 and name n )                           59.77 27.96

!!   M58
assign ( resid 57 and name c ) ( resid 58 and name n )
       ( resid 58 and name ca) ( resid 58 and name c )
       ( resid 59 and name n )                           55.33 29.72

!!   K59
assign ( resid 58 and name c ) ( resid 59 and name n )
       ( resid 59 and name ca) ( resid 59 and name c )
       ( resid 60 and name n )                           59.25 30.96

!!   D60
assign ( resid 59 and name c ) ( resid 60 and name n )
       ( resid 60 and name ca) ( resid 60 and name c )
       ( resid 61 and name n )                           56.36 39.73

!!   F61
assign ( resid 60 and name c ) ( resid 61 and name n )
       ( resid 61 and name ca) ( resid 61 and name c )
       ( resid 62 and name n )                           58.63 38.19

!!   R62
assign ( resid 61 and name c ) ( resid 62 and name n )
       ( resid 62 and name ca) ( resid 62 and name c )
       ( resid 63 and name n )                           60.18 29.10

!!   H63
assign ( resid 62 and name c ) ( resid 63 and name n )
       ( resid 63 and name ca) ( resid 63 and name c )
       ( resid 64 and name n )                           57.29 26.93

!!   G64
assign ( resid 63 and name c ) ( resid 64 and name n )
       ( resid 64 and name ca) ( resid 64 and name c )
       ( resid 65 and name n )                           45.94 0.00

!!   F65
assign ( resid 64 and name c ) ( resid 65 and name n )
       ( resid 65 and name ca) ( resid 65 and name c )
       ( resid 66 and name n )                           61.12 38.60

!!   D66
assign ( resid 65 and name c ) ( resid 66 and name n )
       ( resid 66 and name ca) ( resid 66 and name c )
       ( resid 67 and name n )                           57.77 38.60

!!   I67
assign ( resid 66 and name c ) ( resid 67 and name n )
       ( resid 67 and name ca) ( resid 67 and name c )
       ( resid 68 and name n )                           62.35 35.91

!!   L68
assign ( resid 67 and name c ) ( resid 68 and name n )
       ( resid 68 and name ca) ( resid 68 and name c )
       ( resid 69 and name n )                           56.88 40.66

!!   V69
assign ( resid 68 and name c ) ( resid 69 and name n )
       ( resid 69 and name ca) ( resid 69 and name c )
       ( resid 70 and name n )                           66.38 30.13

!!   G70
assign ( resid 69 and name c ) ( resid 70 and name n )
       ( resid 70 and name ca) ( resid 70 and name c )
       ( resid 71 and name n )                           46.35 0.00

!!   Q71
assign ( resid 70 and name c ) ( resid 71 and name n )
       ( resid 71 and name ca) ( resid 71 and name c )
       ( resid 72 and name n )                           57.81 27.76

!!   I72
assign ( resid 71 and name c ) ( resid 72 and name n )
       ( resid 72 and name ca) ( resid 72 and name c )
       ( resid 73 and name n )                           64.93 36.85

!!   D73
assign ( resid 72 and name c ) ( resid 73 and name n )
       ( resid 73 and name ca) ( resid 73 and name c )
       ( resid 74 and name n )                           56.57 38.19

!!   D74
assign ( resid 73 and name c ) ( resid 74 and name n )
       ( resid 74 and name ca) ( resid 74 and name c )
       ( resid 75 and name n )                           56.26 39.11

!!   A75
assign ( resid 74 and name c ) ( resid 75 and name n )
       ( resid 75 and name ca) ( resid 75 and name c )
       ( resid 76 and name n )                           53.88 17.22

!!   L76
assign ( resid 75 and name c ) ( resid 76 and name n )
       ( resid 76 and name ca) ( resid 76 and name c )
       ( resid 77 and name n )                           56.77 40.87

!!   K77
assign ( resid 76 and name c ) ( resid 77 and name n )
       ( resid 77 and name ca) ( resid 77 and name c )
       ( resid 78 and name n )                           58.94 30.85

!!   L78
assign ( resid 77 and name c ) ( resid 78 and name n )
       ( resid 78 and name ca) ( resid 78 and name c )
       ( resid 79 and name n )                           56.77 40.25

!!   A79
assign ( resid 78 and name c ) ( resid 79 and name n )
       ( resid 79 and name ca) ( resid 79 and name c )
       ( resid 80 and name n )                           54.29 16.40

!!   N80
assign ( resid 79 and name c ) ( resid 80 and name n )
       ( resid 80 and name ca) ( resid 80 and name c )
       ( resid 81 and name n )                           54.50 37.46

!!   E81
assign ( resid 80 and name c ) ( resid 81 and name n )
       ( resid 81 and name ca) ( resid 81 and name c )
       ( resid 82 and name n )                           54.60 28.38

!!   G82
assign ( resid 81 and name c ) ( resid 82 and name n )
       ( resid 82 and name ca) ( resid 82 and name c )
       ( resid 83 and name n )                           44.49 0.000

!!   K83
assign ( resid 82 and name c ) ( resid 83 and name n )
       ( resid 83 and name ca) ( resid 83 and name c )
       ( resid 84 and name n )                           53.47 28.68

!!   V84
assign ( resid 83 and name c ) ( resid 84 and name n )
       ( resid 84 and name ca) ( resid 84 and name c )
       ( resid 85 and name n )                           66.27 30.65

!!   K85
assign ( resid 84 and name c ) ( resid 85 and name n )
       ( resid 85 and name ca) ( resid 85 and name c )
       ( resid 86 and name n )                           58.63 30.44

!!   E86
assign ( resid 85 and name c ) ( resid 86 and name n )
       ( resid 86 and name ca) ( resid 86 and name c )
       ( resid 87 and name n )                           59.15 27.65

!!   A87
assign ( resid 86 and name c ) ( resid 87 and name n )
       ( resid 87 and name ca) ( resid 87 and name c )
       ( resid 88 and name n )                           54.29 17.84

!!   Q88
assign ( resid 87 and name c ) ( resid 88 and name n )
       ( resid 88 and name ca) ( resid 88 and name c )
       ( resid 89 and name n )                           57.98 27.24

!!   A89
assign ( resid 88 and name c ) ( resid 89 and name n )
       ( resid 89 and name ca) ( resid 89 and name c )
       ( resid 90 and name n )                           53.88 16.60

!!   A90
assign ( resid 89 and name c ) ( resid 90 and name n )
       ( resid 90 and name ca) ( resid 90 and name c )
       ( resid 91 and name n )                           53.88 17.22

!!   A91
assign ( resid 90 and name c ) ( resid 91 and name n )
       ( resid 91 and name ca) ( resid 91 and name c )
       ( resid 92 and name n )                           54.29 16.75

!!   E92
assign ( resid 91 and name c ) ( resid 92 and name n )
       ( resid 92 and name ca) ( resid 92 and name c )
       ( resid 93 and name n )                           58.12 28.07

!!   Q93
assign ( resid 92 and name c ) ( resid 93 and name n )
       ( resid 93 and name ca) ( resid 93 and name c )
       ( resid 94 and name n )                           57.39 27.24

!!   L94
assign ( resid 93 and name c ) ( resid 94 and name n )
       ( resid 94 and name ca) ( resid 94 and name c )
       ( resid 95 and name n )                           56.67 41.28

!!   K95
assign ( resid 94 and name c ) ( resid 95 and name n )
       ( resid 95 and name ca) ( resid 95 and name c )
       ( resid 96 and name n )                           59.35 31.47

!!   T96
assign ( resid 95 and name c ) ( resid 96 and name n )
       ( resid 96 and name ca) ( resid 96 and name c )
       ( resid 97 and name n )                           64.93 67.51

!!   T97
assign ( resid 96 and name c ) ( resid 97 and name n )
       ( resid 97 and name ca) ( resid 97 and name c )
       ( resid 98 and name n )                           65.45 67.41

!!   I98
assign ( resid 97 and name c ) ( resid 98 and name n )
       ( resid 98 and name ca) ( resid 98 and name c )
       ( resid 99 and name n )                           64.93 37.05

!!   R99
assign ( resid 98 and name c ) ( resid 99 and name n )
       ( resid 99 and name ca) ( resid 99 and name c )
       ( resid 100 and name n )                          58.63 28.69

!!   A100
assign ( resid 99 and name c ) ( resid 100 and name n )
       ( resid 100 and name ca)( resid 100 and name c )
       ( resid 101 and name n )                          53.88 16.82

!!   Y101
assign ( resid 100 and name c ) ( resid 101 and name n )
       ( resid 101 and name ca) ( resid 101 and name c )
       ( resid 102 and name n )                          61.01 37.88

!!   N102
assign ( resid 101 and name c ) ( resid 102 and name n )
       ( resid 102 and name ca) ( resid 102 and name c )
       ( resid 103 and name n )                          55.33 37.78

!!   Q103
assign ( resid 102 and name c ) ( resid 103 and name n )
       ( resid 103 and name ca) ( resid 103 and name c )
       ( resid 104 and name n )                          57.29 27.45

!!   K104
assign ( resid 103 and name c ) ( resid 104 and name n )
       ( resid 104 and name ca) ( resid 104 and name c )
       ( resid 105 and name n )                          57.70 30.85

!!   Y105
assign ( resid 104 and name c ) ( resid 105 and name n )
       ( resid 105 and name ca) ( resid 105 and name c )
       ( resid 106 and name n )                          58.12 38.29




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1 -16.733 -21.092  -1.632
    2   2H    ALA   1          2HT       ALA   1 -17.701 -21.034  -3.026
    3   3H    ALA   1          3HT       ALA   1 -16.668 -22.356  -2.760
    4    HA   ALA   1           HA       ALA   1 -19.224 -21.699  -1.463
    5   1HB   ALA   1          1HB       ALA   1 -17.961 -24.251  -2.509
    6   2HB   ALA   1          2HB       ALA   1 -19.181 -23.287  -3.342
    7   3HB   ALA   1          3HB       ALA   1 -19.588 -24.119  -1.842
    8    H    ASP   2           H        ASP   2 -16.505 -21.333  -0.212
    9    HA   ASP   2           HA       ASP   2 -16.247 -23.462   1.721
   10   1HB   ASP   2          2HB       ASP   2 -14.664 -21.626   2.781
   11   2HB   ASP   2          1HB       ASP   2 -14.185 -22.469   1.312
   12    H    LEU   3           H        LEU   3 -16.143 -22.833   4.095
   13    HA   LEU   3           HA       LEU   3 -18.019 -20.775   4.941
   14   1HB   LEU   3          2HB       LEU   3 -19.348 -22.424   6.283
   15   2HB   LEU   3          1HB       LEU   3 -19.594 -22.551   4.544
   16    HG   LEU   3           HG       LEU   3 -17.422 -24.248   5.745
   17   1HD1  LEU   3          1HD1      LEU   3 -19.207 -24.616   7.350
   18   2HD1  LEU   3          2HD1      LEU   3 -19.103 -26.020   6.288
   19   3HD1  LEU   3          3HD1      LEU   3 -20.381 -24.828   6.052
   20   1HD2  LEU   3          1HD2      LEU   3 -18.302 -25.864   4.054
   21   2HD2  LEU   3          2HD2      LEU   3 -17.830 -24.330   3.328
   22   3HD2  LEU   3          3HD2      LEU   3 -19.534 -24.687   3.603
   23    H    GLU   4           H        GLU   4 -15.143 -21.907   5.211
   24    HA   GLU   4           HA       GLU   4 -14.962 -21.436   8.116
   25   1HB   GLU   4          2HB       GLU   4 -13.167 -23.341   8.085
   26   2HB   GLU   4          1HB       GLU   4 -14.873 -23.771   8.193
   27   1HG   GLU   4          2HG       GLU   4 -13.663 -25.137   6.503
   28   2HG   GLU   4          1HG       GLU   4 -14.966 -24.190   5.791
   29    H    ASP   5           H        ASP   5 -14.392 -19.449   6.523
   30    HA   ASP   5           HA       ASP   5 -11.494 -19.190   6.724
   31   1HB   ASP   5          2HB       ASP   5 -12.961 -18.892   4.093
   32   2HB   ASP   5          1HB       ASP   5 -11.306 -18.359   4.380
   33    H    ASN   6           H        ASN   6 -12.426 -17.761   8.410
   34    HA   ASN   6           HA       ASN   6 -12.613 -15.048   7.400
   35   1HB   ASN   6          2HB       ASN   6 -14.885 -16.154   9.062
   36   2HB   ASN   6          1HB       ASN   6 -14.743 -14.523   8.406
   37   1HD2  ASN   6          1HD2      ASN   6 -15.611 -17.832   7.639
   38   2HD2  ASN   6          2HD2      ASN   6 -16.089 -17.536   6.038
   39    H    ASP   7           H        ASP   7 -10.529 -15.449   8.663
   40    HA   ASP   7           HA       ASP   7  -9.244 -15.066  10.528
   41   1HB   ASP   7          2HB       ASP   7 -11.695 -13.579  11.496
   42   2HB   ASP   7          1HB       ASP   7 -10.039 -13.359  12.060
   43    H    GLU   8           H        GLU   8 -10.413 -17.540  10.512
   44    HA   GLU   8           HA       GLU   8 -11.865 -18.124  12.902
   45   1HB   GLU   8          2HB       GLU   8 -10.299 -19.885  11.004
   46   2HB   GLU   8          1HB       GLU   8 -11.272 -20.497  12.343
   47   1HG   GLU   8          2HG       GLU   8 -13.258 -19.334  11.387
   48   2HG   GLU   8          1HG       GLU   8 -12.273 -18.833  10.014
   49    H    THR   9           H        THR   9  -8.877 -19.826  12.204
   50    HA   THR   9           HA       THR   9  -7.440 -18.664  14.430
   51    HB   THR   9           HB       THR   9  -8.894 -20.165  15.667
   52    HG1  THR   9           1HG      THR   9  -7.280 -21.411  16.610
   53   1HG2  THR   9          1HG2      THR   9  -9.022 -22.534  15.178
   54   2HG2  THR   9          2HG2      THR   9  -7.823 -22.375  13.894
   55   3HG2  THR   9          3HG2      THR   9  -9.417 -21.642  13.709
   56    H    GLY  10           H        GLY  10  -7.735 -20.928  11.804
   57   1HA   GLY  10          2HA       GLY  10  -5.050 -21.917  11.881
   58   2HA   GLY  10          1HA       GLY  10  -6.172 -22.052  10.529
   59    H    ASN  11           H        ASN  11  -6.642 -19.145  10.453
   60    HA   ASN  11           HA       ASN  11  -4.345 -18.438   8.804
   61   1HB   ASN  11          2HB       ASN  11  -5.723 -16.423   8.267
   62   2HB   ASN  11          1HB       ASN  11  -6.541 -17.945   7.920
   63   1HD2  ASN  11          1HD2      ASN  11  -6.133 -15.905  10.881
   64   2HD2  ASN  11          2HD2      ASN  11  -7.781 -15.923  11.285
   65    H    ASP  12           H        ASP  12  -3.320 -16.313   9.012
   66    HA   ASP  12           HA       ASP  12  -2.171 -14.713  10.186
   67   1HB   ASP  12          2HB       ASP  12  -4.582 -14.124  10.853
   68   2HB   ASP  12          1HB       ASP  12  -4.238 -14.954  12.368
   69    H    ASN  13           H        ASN  13  -3.535 -16.904  12.661
   70    HA   ASN  13           HA       ASN  13  -1.052 -16.922  14.135
   71   1HB   ASN  13          2HB       ASN  13  -3.487 -18.681  14.495
   72   2HB   ASN  13          1HB       ASN  13  -2.204 -18.398  15.670
   73   1HD2  ASN  13          1HD2      ASN  13  -2.062 -16.195  16.622
   74   2HD2  ASN  13          2HD2      ASN  13  -3.424 -15.182  16.620
   75    H    GLY  14           H        GLY  14  -1.576 -18.172  11.282
   76   1HA   GLY  14          2HA       GLY  14  -0.852 -20.940  11.664
   77   2HA   GLY  14          1HA       GLY  14  -0.962 -20.089  10.126
   78    H    LYS  15           H        LYS  15   1.012 -19.686  13.079
   79    HA   LYS  15           HA       LYS  15   3.450 -20.292  11.645
   80   1HB   LYS  15          2HB       LYS  15   4.468 -18.050  12.077
   81   2HB   LYS  15          1HB       LYS  15   3.149 -18.007  10.913
   82   1HG   LYS  15          2HG       LYS  15   1.629 -17.087  12.481
   83   2HG   LYS  15          1HG       LYS  15   2.669 -17.480  13.849
   84   1HD   LYS  15          2HD       LYS  15   2.731 -15.055  13.231
   85   2HD   LYS  15          1HD       LYS  15   4.310 -15.835  13.147
   86   1HE   LYS  15          2HE       LYS  15   2.597 -15.741  10.674
   87   2HE   LYS  15          1HE       LYS  15   3.498 -14.305  11.156
   88   1HZ   LYS  15          1HZ       LYS  15   4.854 -15.587   9.701
   89   2HZ   LYS  15          2HZ       LYS  15   4.606 -17.002  10.608
   90   3HZ   LYS  15          3HZ       LYS  15   5.507 -15.719  11.261
   91    H    GLY  16           H        GLY  16   4.670 -18.320  13.805
   92   1HA   GLY  16          2HA       GLY  16   5.631 -18.589  15.874
   93   2HA   GLY  16          1HA       GLY  16   4.085 -19.280  16.357
   94    H    GLY  17           H        GLY  17   6.735 -20.308  14.191
   95   1HA   GLY  17          2HA       GLY  17   7.731 -22.385  15.768
   96   2HA   GLY  17          1HA       GLY  17   6.444 -23.067  14.776
   97    H    GLU  18           H        GLU  18   6.658 -21.945  12.385
   98    HA   GLU  18           HA       GLU  18   9.071 -23.095  11.322
   99   1HB   GLU  18          2HB       GLU  18   6.775 -21.597  10.051
  100   2HB   GLU  18          1HB       GLU  18   8.136 -22.245   9.134
  101   1HG   GLU  18          2HG       GLU  18   6.308 -23.862   9.111
  102   2HG   GLU  18          1HG       GLU  18   7.646 -24.503  10.062
  103    H    LYS  19           H        LYS  19   9.106 -20.627  13.087
  104    HA   LYS  19           HA       LYS  19   9.925 -18.442  13.087
  105   1HB   LYS  19          2HB       LYS  19  12.300 -18.492  12.935
  106   2HB   LYS  19          1HB       LYS  19  11.794 -20.067  13.529
  107   1HG   LYS  19          2HG       LYS  19  11.864 -20.785  11.021
  108   2HG   LYS  19          1HG       LYS  19  12.816 -19.326  10.784
  109   1HD   LYS  19          2HD       LYS  19  14.510 -20.860  11.217
  110   2HD   LYS  19          1HD       LYS  19  14.200 -20.270  12.848
  111   1HE   LYS  19          2HE       LYS  19  14.200 -22.618  13.097
  112   2HE   LYS  19          1HE       LYS  19  12.485 -22.221  12.997
  113   1HZ   LYS  19          1HZ       LYS  19  13.730 -24.029  11.448
  114   2HZ   LYS  19          2HZ       LYS  19  13.759 -22.656  10.446
  115   3HZ   LYS  19          3HZ       LYS  19  12.280 -23.247  11.039
  116    H    ALA  20           H        ALA  20  12.047 -17.453  11.411
  117    HA   ALA  20           HA       ALA  20  10.543 -16.850   8.918
  118   1HB   ALA  20          1HB       ALA  20  12.344 -15.017  10.525
  119   2HB   ALA  20          2HB       ALA  20  10.583 -14.941  10.483
  120   3HB   ALA  20          3HB       ALA  20  11.514 -14.599   9.026
  121    H    ASP  21           H        ASP  21  11.611 -18.077   7.392
  122    HA   ASP  21           HA       ASP  21  14.478 -17.525   7.012
  123   1HB   ASP  21          2HB       ASP  21  14.326 -19.605   8.349
  124   2HB   ASP  21          1HB       ASP  21  13.323 -20.321   7.087
  125    H    ASN  22           H        ASN  22  11.632 -19.273   5.705
  126    HA   ASN  22           HA       ASN  22  12.573 -18.610   2.969
  127   1HB   ASN  22          2HB       ASN  22  12.358 -20.999   3.361
  128   2HB   ASN  22          1HB       ASN  22  10.729 -20.797   3.969
  129   1HD2  ASN  22          1HD2      ASN  22  12.724 -20.471   1.014
  130   2HD2  ASN  22          2HD2      ASN  22  11.422 -20.622  -0.063
  131    H    ALA  23           H        ALA  23   9.471 -19.780   3.225
  132    HA   ALA  23           HA       ALA  23   8.249 -17.496   2.082
  133   1HB   ALA  23          1HB       ALA  23   7.192 -20.013   3.356
  134   2HB   ALA  23          2HB       ALA  23   7.278 -19.612   1.640
  135   3HB   ALA  23          3HB       ALA  23   6.117 -18.786   2.681
  136    H    ALA  24           H        ALA  24   8.461 -18.686   5.406
  137    HA   ALA  24           HA       ALA  24   6.517 -17.052   6.587
  138   1HB   ALA  24          1HB       ALA  24   9.102 -18.193   7.650
  139   2HB   ALA  24          2HB       ALA  24   7.462 -18.785   7.915
  140   3HB   ALA  24          3HB       ALA  24   7.985 -17.275   8.660
  141    H    GLN  25           H        GLN  25  10.011 -16.475   6.193
  142    HA   GLN  25           HA       GLN  25  10.102 -13.903   7.294
  143   1HB   GLN  25          2HB       GLN  25  12.069 -15.262   6.851
  144   2HB   GLN  25          1HB       GLN  25  11.765 -15.169   5.114
  145   1HG   GLN  25          2HG       GLN  25  12.365 -12.908   4.993
  146   2HG   GLN  25          1HG       GLN  25  12.059 -12.629   6.705
  147   1HE2  GLN  25          1HE2      GLN  25  13.963 -15.454   5.645
  148   2HE2  GLN  25          2HE2      GLN  25  15.441 -14.870   6.232
  149    H    VAL  26           H        VAL  26   9.304 -15.018   4.044
  150    HA   VAL  26           HA       VAL  26   9.341 -12.509   2.742
  151    HB   VAL  26           HB       VAL  26   8.063 -15.173   2.206
  152   1HG1  VAL  26          1HG1      VAL  26   7.412 -12.589   0.788
  153   2HG1  VAL  26          2HG1      VAL  26   6.295 -13.799   1.424
  154   3HG1  VAL  26          3HG1      VAL  26   7.259 -14.157  -0.010
  155   1HG2  VAL  26          1HG2      VAL  26   9.448 -15.042   0.193
  156   2HG2  VAL  26          2HG2      VAL  26  10.429 -14.764   1.631
  157   3HG2  VAL  26          3HG2      VAL  26   9.939 -13.405   0.618
  158    H    LYS  27           H        LYS  27   6.462 -14.387   3.702
  159    HA   LYS  27           HA       LYS  27   4.475 -12.609   3.356
  160   1HB   LYS  27          2HB       LYS  27   4.873 -14.386   5.763
  161   2HB   LYS  27          1HB       LYS  27   3.353 -13.592   5.354
  162   1HG   LYS  27          2HG       LYS  27   3.604 -14.736   3.042
  163   2HG   LYS  27          1HG       LYS  27   4.811 -15.751   3.827
  164   1HD   LYS  27          2HD       LYS  27   1.917 -15.427   4.674
  165   2HD   LYS  27          1HD       LYS  27   2.633 -16.854   3.922
  166   1HE   LYS  27          2HE       LYS  27   4.261 -16.891   5.903
  167   2HE   LYS  27          1HE       LYS  27   3.181 -15.729   6.672
  168   1HZ   LYS  27          1HZ       LYS  27   2.755 -18.551   6.075
  169   2HZ   LYS  27          2HZ       LYS  27   1.414 -17.521   5.911
  170   3HZ   LYS  27          3HZ       LYS  27   2.229 -17.631   7.398
  171    H    ASP  28           H        ASP  28   6.395 -12.732   6.369
  172    HA   ASP  28           HA       ASP  28   5.242 -10.490   7.587
  173   1HB   ASP  28          2HB       ASP  28   8.099 -11.468   7.819
  174   2HB   ASP  28          1HB       ASP  28   7.275 -10.404   8.957
  175    H    ALA  29           H        ALA  29   7.745 -10.772   5.157
  176    HA   ALA  29           HA       ALA  29   8.579  -8.028   5.299
  177   1HB   ALA  29          1HB       ALA  29   9.971  -9.988   4.467
  178   2HB   ALA  29          2HB       ALA  29   9.999  -8.537   3.465
  179   3HB   ALA  29          3HB       ALA  29   9.013  -9.918   2.988
  180    H    LEU  30           H        LEU  30   5.988  -9.708   3.687
  181    HA   LEU  30           HA       LEU  30   5.671  -7.715   1.613
  182   1HB   LEU  30          2HB       LEU  30   3.737  -9.845   2.557
  183   2HB   LEU  30          1HB       LEU  30   3.607  -8.910   1.069
  184    HG   LEU  30           HG       LEU  30   5.910 -10.767   1.749
  185   1HD1  LEU  30          1HD1      LEU  30   3.731 -11.154  -0.301
  186   2HD1  LEU  30          2HD1      LEU  30   3.649 -11.829   1.326
  187   3HD1  LEU  30          3HD1      LEU  30   4.935 -12.325   0.229
  188   1HD2  LEU  30          1HD2      LEU  30   5.277  -8.971  -0.590
  189   2HD2  LEU  30          2HD2      LEU  30   6.193 -10.455  -0.851
  190   3HD2  LEU  30          3HD2      LEU  30   6.818  -9.219   0.234
  191    H    THR  31           H        THR  31   3.961  -8.527   4.634
  192    HA   THR  31           HA       THR  31   2.090  -6.400   4.432
  193    HB   THR  31           HB       THR  31   1.697  -8.280   5.928
  194    HG1  THR  31           1HG      THR  31   1.660  -5.685   6.668
  195   1HG2  THR  31          1HG2      THR  31   4.132  -8.595   6.493
  196   2HG2  THR  31          2HG2      THR  31   3.053  -8.666   7.888
  197   3HG2  THR  31          3HG2      THR  31   3.995  -7.209   7.575
  198    H    LYS  32           H        LYS  32   5.389  -6.628   5.435
  199    HA   LYS  32           HA       LYS  32   5.728  -4.440   7.098
  200   1HB   LYS  32          2HB       LYS  32   7.472  -6.140   6.179
  201   2HB   LYS  32          1HB       LYS  32   7.655  -5.006   4.844
  202   1HG   LYS  32          2HG       LYS  32   7.967  -4.285   7.777
  203   2HG   LYS  32          1HG       LYS  32   9.305  -4.615   6.675
  204   1HD   LYS  32          2HD       LYS  32   8.171  -2.750   5.188
  205   2HD   LYS  32          1HD       LYS  32   7.405  -2.278   6.706
  206   1HE   LYS  32          2HE       LYS  32  10.384  -2.494   6.189
  207   2HE   LYS  32          1HE       LYS  32   9.465  -1.008   6.424
  208   1HZ   LYS  32          1HZ       LYS  32  10.345  -1.424   8.505
  209   2HZ   LYS  32          2HZ       LYS  32  10.129  -3.105   8.387
  210   3HZ   LYS  32          3HZ       LYS  32   8.790  -2.089   8.634
  211    H    MET  33           H        MET  33   6.021  -4.472   3.544
  212    HA   MET  33           HA       MET  33   6.144  -1.679   3.206
  213   1HB   MET  33          2HB       MET  33   5.257  -3.926   1.391
  214   2HB   MET  33          1HB       MET  33   5.248  -2.242   0.864
  215   1HG   MET  33          2HG       MET  33   7.630  -2.039   1.275
  216   2HG   MET  33          1HG       MET  33   7.683  -3.648   1.995
  217   1HE   MET  33          1HE       MET  33   6.685  -5.726   0.731
  218   2HE   MET  33          2HE       MET  33   8.445  -5.638   0.729
  219   3HE   MET  33          3HE       MET  33   7.594  -6.125  -0.734
  220    H    ARG  34           H        ARG  34   3.370  -3.892   2.763
  221    HA   ARG  34           HA       ARG  34   1.308  -2.221   2.262
  222   1HB   ARG  34          2HB       ARG  34   1.212  -4.721   2.747
  223   2HB   ARG  34          1HB       ARG  34   1.111  -4.286   4.451
  224   1HG   ARG  34          2HG       ARG  34  -0.922  -3.030   4.083
  225   2HG   ARG  34          1HG       ARG  34  -0.796  -3.243   2.334
  226   1HD   ARG  34          2HD       ARG  34  -1.360  -5.517   2.446
  227   2HD   ARG  34          1HD       ARG  34  -0.879  -5.665   4.138
  228    HE   ARG  34           HE       ARG  34  -3.452  -4.804   3.145
  229   1HH1  ARG  34          1HH2      ARG  34  -1.148  -4.637   5.720
  230   2HH1  ARG  34          2HH2      ARG  34  -2.325  -4.264   6.935
  231   1HH2  ARG  34          1HH1      ARG  34  -5.003  -4.317   4.732
  232   2HH2  ARG  34          2HH1      ARG  34  -4.508  -4.082   6.375
  233    H    ALA  35           H        ALA  35   2.029  -3.108   5.643
  234    HA   ALA  35           HA       ALA  35   0.479  -1.190   6.884
  235   1HB   ALA  35          1HB       ALA  35   1.933  -1.479   8.841
  236   2HB   ALA  35          2HB       ALA  35   3.155  -2.249   7.828
  237   3HB   ALA  35          3HB       ALA  35   1.594  -3.033   8.079
  238    H    ALA  36           H        ALA  36   3.503  -0.793   5.237
  239    HA   ALA  36           HA       ALA  36   4.128   1.769   6.418
  240   1HB   ALA  36          1HB       ALA  36   5.738   0.007   5.293
  241   2HB   ALA  36          2HB       ALA  36   6.066   1.730   5.134
  242   3HB   ALA  36          3HB       ALA  36   5.305   0.853   3.808
  243    H    ALA  37           H        ALA  37   2.763   0.584   3.368
  244    HA   ALA  37           HA       ALA  37   2.491   3.016   2.029
  245   1HB   ALA  37          1HB       ALA  37   2.028   0.835   0.976
  246   2HB   ALA  37          2HB       ALA  37   0.661   1.933   0.787
  247   3HB   ALA  37          3HB       ALA  37   0.600   0.647   1.992
  248    H    LEU  38           H        LEU  38   0.285   1.385   4.301
  249    HA   LEU  38           HA       LEU  38  -1.721   3.406   4.260
  250   1HB   LEU  38          2HB       LEU  38  -1.026   1.487   6.491
  251   2HB   LEU  38          1HB       LEU  38  -2.546   2.355   6.307
  252    HG   LEU  38           HG       LEU  38  -1.482   0.491   4.172
  253   1HD1  LEU  38          1HD1      LEU  38  -1.741  -0.798   6.243
  254   2HD1  LEU  38          2HD1      LEU  38  -3.021  -1.217   5.104
  255   3HD1  LEU  38          3HD1      LEU  38  -3.365  -0.147   6.463
  256   1HD2  LEU  38          1HD2      LEU  38  -4.163   1.772   4.772
  257   2HD2  LEU  38          2HD2      LEU  38  -4.008   0.389   3.692
  258   3HD2  LEU  38          3HD2      LEU  38  -3.198   1.902   3.301
  259    H    ASP  39           H        ASP  39   1.177   2.919   6.200
  260    HA   ASP  39           HA       ASP  39   0.722   4.888   8.143
  261   1HB   ASP  39          2HB       ASP  39   2.581   3.083   7.988
  262   2HB   ASP  39          1HB       ASP  39   3.468   4.288   7.062
  263    H    ALA  40           H        ALA  40   2.826   5.127   5.275
  264    HA   ALA  40           HA       ALA  40   3.357   7.832   5.362
  265   1HB   ALA  40          1HB       ALA  40   3.489   7.586   2.781
  266   2HB   ALA  40          2HB       ALA  40   3.109   5.890   3.080
  267   3HB   ALA  40          3HB       ALA  40   4.566   6.601   3.773
  268    H    GLN  41           H        GLN  41   0.710   6.239   3.606
  269    HA   GLN  41           HA       GLN  41  -0.581   8.205   2.346
  270   1HB   GLN  41          2HB       GLN  41  -1.519   6.087   2.229
  271   2HB   GLN  41          1HB       GLN  41  -1.525   5.887   3.973
  272   1HG   GLN  41          2HG       GLN  41  -3.396   7.411   4.206
  273   2HG   GLN  41          1HG       GLN  41  -3.322   7.824   2.488
  274   1HE2  GLN  41          1HE2      GLN  41  -2.516   4.650   2.500
  275   2HE2  GLN  41          2HE2      GLN  41  -4.059   3.944   2.343
  276    H    LYS  42           H        LYS  42  -1.046   7.518   5.824
  277    HA   LYS  42           HA       LYS  42  -1.399  10.351   6.355
  278   1HB   LYS  42          2HB       LYS  42  -3.739   8.447   6.453
  279   2HB   LYS  42          1HB       LYS  42  -3.701   9.900   7.450
  280   1HG   LYS  42          2HG       LYS  42  -3.203  11.160   5.224
  281   2HG   LYS  42          1HG       LYS  42  -3.770   9.689   4.438
  282   1HD   LYS  42          2HD       LYS  42  -5.339  11.292   6.473
  283   2HD   LYS  42          1HD       LYS  42  -5.603  11.320   4.730
  284   1HE   LYS  42          2HE       LYS  42  -7.198   9.764   5.507
  285   2HE   LYS  42          1HE       LYS  42  -5.875   8.747   4.936
  286   1HZ   LYS  42          1HZ       LYS  42  -5.434   8.045   6.992
  287   2HZ   LYS  42          2HZ       LYS  42  -6.976   8.631   7.397
  288   3HZ   LYS  42          3HZ       LYS  42  -5.600   9.589   7.674
  289    H    ALA  43           H        ALA  43   0.563   9.312   7.521
  290    HA   ALA  43           HA       ALA  43  -0.244   9.048  10.305
  291   1HB   ALA  43          1HB       ALA  43   0.722   6.959  10.762
  292   2HB   ALA  43          2HB       ALA  43   1.581   6.915   9.225
  293   3HB   ALA  43          3HB       ALA  43  -0.170   6.697   9.264
  294    H    THR  44           H        THR  44   2.614   8.577   8.211
  295    HA   THR  44           HA       THR  44   4.095  10.457   9.958
  296    HB   THR  44           HB       THR  44   4.848   8.066  10.043
  297    HG1  THR  44           1HG      THR  44   7.078   8.714   9.687
  298   1HG2  THR  44          1HG2      THR  44   4.593   8.014   7.325
  299   2HG2  THR  44          2HG2      THR  44   5.652   6.928   8.217
  300   3HG2  THR  44          3HG2      THR  44   6.309   8.383   7.477
  301    HA   PRO  45           HA       PRO  45   3.392  12.749   5.945
  302   1HB   PRO  45          2HB       PRO  45   4.943  14.528   7.814
  303   2HB   PRO  45          1HB       PRO  45   3.715  14.976   6.608
  304   1HG   PRO  45          2HG       PRO  45   3.045  14.759   9.154
  305   2HG   PRO  45          1HG       PRO  45   1.966  14.142   7.889
  306   1HD   PRO  45          2HD       PRO  45   3.635  12.625   9.824
  307   2HD   PRO  45          1HD       PRO  45   2.156  12.112   8.983
  308    HA   PRO  46           HA       PRO  46   7.738  11.537   5.049
  309   1HB   PRO  46          2HB       PRO  46   7.334  10.239   2.741
  310   2HB   PRO  46          1HB       PRO  46   6.816   9.528   4.282
  311   1HG   PRO  46          2HG       PRO  46   5.174  10.922   2.211
  312   2HG   PRO  46          1HG       PRO  46   4.802   9.480   3.148
  313   1HD   PRO  46          2HD       PRO  46   3.917  12.057   3.781
  314   2HD   PRO  46          1HD       PRO  46   3.967  10.693   4.921
  315    H    LYS  47           H        LYS  47   6.775  11.647   1.780
  316    HA   LYS  47           HA       LYS  47   8.453  13.923   1.248
  317   1HB   LYS  47          2HB       LYS  47   6.608  12.594  -0.735
  318   2HB   LYS  47          1HB       LYS  47   8.138  13.417  -1.039
  319   1HG   LYS  47          2HG       LYS  47   7.787  10.803   0.459
  320   2HG   LYS  47          1HG       LYS  47   8.456  10.990  -1.163
  321   1HD   LYS  47          2HD       LYS  47  10.183  12.568  -0.080
  322   2HD   LYS  47          1HD       LYS  47   9.636  11.909   1.463
  323   1HE   LYS  47          2HE       LYS  47  10.145   9.619   0.639
  324   2HE   LYS  47          1HE       LYS  47  10.757  10.315  -0.861
  325   1HZ   LYS  47          1HZ       LYS  47  12.201  11.712   0.761
  326   2HZ   LYS  47          2HZ       LYS  47  12.662  10.125   0.370
  327   3HZ   LYS  47          3HZ       LYS  47  11.886  10.448   1.847
  328    H    LEU  48           H        LEU  48   5.192  13.473   2.073
  329    HA   LEU  48           HA       LEU  48   4.173  15.786   0.628
  330   1HB   LEU  48          2HB       LEU  48   2.784  14.453   2.949
  331   2HB   LEU  48          1HB       LEU  48   2.077  15.268   1.552
  332    HG   LEU  48           HG       LEU  48   3.638  12.661   1.437
  333   1HD1  LEU  48          1HD1      LEU  48   1.426  12.488   2.587
  334   2HD1  LEU  48          2HD1      LEU  48   1.493  11.584   1.075
  335   3HD1  LEU  48          3HD1      LEU  48   0.660  13.135   1.138
  336   1HD2  LEU  48          1HD2      LEU  48   2.508  12.638  -0.884
  337   2HD2  LEU  48          2HD2      LEU  48   3.862  13.745  -0.668
  338   3HD2  LEU  48          3HD2      LEU  48   2.208  14.356  -0.620
  339    H    GLU  49           H        GLU  49   6.463  16.199   2.445
  340    HA   GLU  49           HA       GLU  49   5.693  17.391   4.862
  341   1HB   GLU  49          2HB       GLU  49   7.846  18.474   4.867
  342   2HB   GLU  49          1HB       GLU  49   8.052  16.863   4.185
  343   1HG   GLU  49          2HG       GLU  49   7.838  19.460   2.626
  344   2HG   GLU  49          1HG       GLU  49   9.280  18.474   2.830
  345    H    ASP  50           H        ASP  50   5.356  18.448   1.603
  346    HA   ASP  50           HA       ASP  50   3.829  20.755   2.443
  347   1HB   ASP  50          2HB       ASP  50   6.181  21.591   2.472
  348   2HB   ASP  50          1HB       ASP  50   6.305  21.187   0.760
  349    H    LYS  51           H        LYS  51   3.150  18.396   1.048
  350    HA   LYS  51           HA       LYS  51   2.335  19.536  -1.557
  351   1HB   LYS  51          2HB       LYS  51   3.126  16.636  -1.282
  352   2HB   LYS  51          1HB       LYS  51   2.867  17.570  -2.752
  353   1HG   LYS  51          2HG       LYS  51   4.876  19.037  -1.713
  354   2HG   LYS  51          1HG       LYS  51   5.252  17.510  -0.928
  355   1HD   LYS  51          2HD       LYS  51   4.822  17.757  -3.923
  356   2HD   LYS  51          1HD       LYS  51   6.401  17.914  -3.163
  357   1HE   LYS  51          2HE       LYS  51   4.742  15.498  -2.511
  358   2HE   LYS  51          1HE       LYS  51   5.587  15.558  -4.058
  359   1HZ   LYS  51          1HZ       LYS  51   7.130  16.354  -1.730
  360   2HZ   LYS  51          2HZ       LYS  51   7.586  15.421  -3.075
  361   3HZ   LYS  51          3HZ       LYS  51   6.708  14.712  -1.805
  362    H    SER  52           H        SER  52   0.795  19.584   0.698
  363    HA   SER  52           HA       SER  52  -0.803  17.503   1.400
  364   1HB   SER  52          2HB       SER  52  -0.825  20.231   1.802
  365   2HB   SER  52          1HB       SER  52  -2.357  19.972   0.979
  366    HG   SER  52           HG       SER  52  -2.634  19.665   3.184
  367    HA   PRO  53           HA       PRO  53  -3.632  16.207  -1.716
  368   1HB   PRO  53          2HB       PRO  53  -5.991  17.600  -0.518
  369   2HB   PRO  53          1HB       PRO  53  -5.762  15.877  -0.880
  370   1HG   PRO  53          2HG       PRO  53  -5.663  16.767   1.619
  371   2HG   PRO  53          1HG       PRO  53  -4.559  15.495   1.059
  372   1HD   PRO  53          2HD       PRO  53  -4.000  18.414   1.503
  373   2HD   PRO  53          1HD       PRO  53  -2.982  17.002   1.865
  374    H    ASP  54           H        ASP  54  -2.352  18.711  -2.283
  375    HA   ASP  54           HA       ASP  54  -4.359  20.232  -3.831
  376   1HB   ASP  54          2HB       ASP  54  -2.863  21.482  -2.288
  377   2HB   ASP  54          1HB       ASP  54  -1.475  20.909  -3.211
  378    H    SER  55           H        SER  55  -0.964  19.238  -4.212
  379    HA   SER  55           HA       SER  55  -1.097  19.228  -7.078
  380   1HB   SER  55          2HB       SER  55   1.108  17.746  -5.731
  381   2HB   SER  55          1HB       SER  55   1.190  19.038  -6.932
  382    HG   SER  55           HG       SER  55   1.927  19.757  -4.918
  383    HA   PRO  56           HA       PRO  56  -2.086  15.034  -8.103
  384   1HB   PRO  56          2HB       PRO  56   0.758  14.154  -8.452
  385   2HB   PRO  56          1HB       PRO  56  -0.604  14.043  -9.586
  386   1HG   PRO  56          2HG       PRO  56   1.289  15.856  -9.947
  387   2HG   PRO  56          1HG       PRO  56  -0.414  16.267 -10.227
  388   1HD   PRO  56          2HD       PRO  56   1.325  16.952  -7.880
  389   2HD   PRO  56          1HD       PRO  56   0.119  17.965  -8.712
  390    H    GLU  57           H        GLU  57  -0.609  15.732  -5.303
  391    HA   GLU  57           HA       GLU  57   0.469  13.581  -4.073
  392   1HB   GLU  57          2HB       GLU  57   0.095  15.584  -2.814
  393   2HB   GLU  57          1HB       GLU  57  -1.649  15.466  -3.012
  394   1HG   GLU  57          2HG       GLU  57  -1.726  13.464  -1.616
  395   2HG   GLU  57          1HG       GLU  57   0.032  13.416  -1.530
  396    H    MET  58           H        MET  58  -3.048  14.147  -4.125
  397    HA   MET  58           HA       MET  58  -3.782  11.669  -3.088
  398   1HB   MET  58          2HB       MET  58  -5.412  13.251  -5.065
  399   2HB   MET  58          1HB       MET  58  -5.987  12.131  -3.825
  400   1HG   MET  58          2HG       MET  58  -5.174  13.619  -2.057
  401   2HG   MET  58          1HG       MET  58  -4.495  14.726  -3.255
  402   1HE   MET  58          1HE       MET  58  -7.817  12.758  -2.488
  403   2HE   MET  58          2HE       MET  58  -8.828  14.110  -1.986
  404   3HE   MET  58          3HE       MET  58  -7.345  13.753  -1.105
  405    H    LYS  59           H        LYS  59  -3.316  12.670  -6.452
  406    HA   LYS  59           HA       LYS  59  -4.210  10.279  -7.658
  407   1HB   LYS  59          2HB       LYS  59  -2.187  12.332  -8.582
  408   2HB   LYS  59          1HB       LYS  59  -2.785  11.023  -9.597
  409   1HG   LYS  59          2HG       LYS  59  -4.769  12.830  -8.220
  410   2HG   LYS  59          1HG       LYS  59  -3.951  13.403  -9.672
  411   1HD   LYS  59          2HD       LYS  59  -4.718  11.380 -10.886
  412   2HD   LYS  59          1HD       LYS  59  -5.575  10.848  -9.440
  413   1HE   LYS  59          2HE       LYS  59  -7.068  12.708  -9.521
  414   2HE   LYS  59          1HE       LYS  59  -6.077  13.543 -10.717
  415   1HZ   LYS  59          1HZ       LYS  59  -7.943  12.550 -11.806
  416   2HZ   LYS  59          2HZ       LYS  59  -7.611  11.032 -11.117
  417   3HZ   LYS  59          3HZ       LYS  59  -6.549  11.699 -12.263
  418    H    ASP  60           H        ASP  60  -1.044  11.299  -6.477
  419    HA   ASP  60           HA       ASP  60   0.264   8.871  -7.313
  420   1HB   ASP  60          2HB       ASP  60   1.382  11.107  -7.070
  421   2HB   ASP  60          1HB       ASP  60   1.243  10.921  -5.324
  422    H    PHE  61           H        PHE  61  -1.282  10.072  -4.406
  423    HA   PHE  61           HA       PHE  61  -0.290   7.950  -2.728
  424   1HB   PHE  61          2HB       PHE  61  -0.905   9.622  -1.270
  425   2HB   PHE  61          1HB       PHE  61  -2.107  10.275  -2.368
  426    HD1  PHE  61           1HD      PHE  61  -4.120  10.421  -1.156
  427    HD2  PHE  61           2HD      PHE  61  -1.771   6.836  -0.891
  428    HE1  PHE  61           1HE      PHE  61  -5.936   9.329   0.118
  429    HE2  PHE  61           2HE      PHE  61  -3.590   5.742   0.375
  430    HZ   PHE  61           HZ       PHE  61  -5.676   6.990   0.881
  431    H    ARG  62           H        ARG  62  -3.674   8.716  -3.681
  432    HA   ARG  62           HA       ARG  62  -4.849   6.336  -3.118
  433   1HB   ARG  62          2HB       ARG  62  -5.271   8.146  -5.489
  434   2HB   ARG  62          1HB       ARG  62  -6.316   6.764  -5.155
  435   1HG   ARG  62          2HG       ARG  62  -7.168   7.690  -3.190
  436   2HG   ARG  62          1HG       ARG  62  -5.742   8.687  -2.910
  437   1HD   ARG  62          2HD       ARG  62  -7.529  10.142  -3.554
  438   2HD   ARG  62          1HD       ARG  62  -6.405  10.066  -4.898
  439    HE   ARG  62           HE       ARG  62  -8.312   8.084  -5.348
  440   1HH1  ARG  62          1HH2      ARG  62  -8.162  11.523  -4.980
  441   2HH1  ARG  62          2HH2      ARG  62  -9.524  11.829  -6.005
  442   1HH2  ARG  62          1HH1      ARG  62 -10.098   8.479  -6.691
  443   2HH2  ARG  62          2HH1      ARG  62 -10.621  10.107  -6.973
  444    H    HIS  63           H        HIS  63  -2.826   7.001  -5.968
  445    HA   HIS  63           HA       HIS  63  -3.212   4.279  -6.916
  446   1HB   HIS  63          2HB       HIS  63  -2.857   6.270  -8.431
  447   2HB   HIS  63          1HB       HIS  63  -1.178   6.274  -7.897
  448    HD1  HIS  63           1HD      HIS  63  -3.149   3.106  -8.455
  449    HD2  HIS  63           2HD      HIS  63  -0.114   5.272 -10.319
  450    HE1  HIS  63           1HE      HIS  63  -2.244   1.628 -10.302
  451    HE2  HIS  63           2HE      HIS  63  -0.392   2.934 -11.447
  452    H    GLY  64           H        GLY  64  -0.334   6.172  -6.017
  453   1HA   GLY  64          2HA       GLY  64   1.582   4.291  -5.923
  454   2HA   GLY  64          1HA       GLY  64   1.484   5.550  -4.712
  455    H    PHE  65           H        PHE  65  -1.050   4.573  -3.518
  456    HA   PHE  65           HA       PHE  65   0.206   2.496  -1.898
  457   1HB   PHE  65          2HB       PHE  65  -1.207   3.151  -0.239
  458   2HB   PHE  65          1HB       PHE  65  -1.552   4.523  -1.278
  459    HD1  PHE  65           1HD      PHE  65  -3.516   4.508  -2.708
  460    HD2  PHE  65           2HD      PHE  65  -2.854   1.411   0.134
  461    HE1  PHE  65           1HE      PHE  65  -5.890   3.871  -2.911
  462    HE2  PHE  65           2HE      PHE  65  -5.240   0.738  -0.050
  463    HZ   PHE  65           HZ       PHE  65  -6.745   1.985  -1.581
  464    H    ASP  66           H        ASP  66  -2.478   2.815  -4.170
  465    HA   ASP  66           HA       ASP  66  -3.485   0.183  -4.002
  466   1HB   ASP  66          2HB       ASP  66  -4.647   1.957  -5.247
  467   2HB   ASP  66          1HB       ASP  66  -3.311   2.056  -6.397
  468    H    ILE  67           H        ILE  67  -0.847   1.638  -5.840
  469    HA   ILE  67           HA       ILE  67  -0.090  -0.541  -7.421
  470    HB   ILE  67           HB       ILE  67   1.568   1.685  -6.184
  471   1HG1  ILE  67          2HG1      ILE  67   0.463   1.316  -8.987
  472   2HG1  ILE  67          1HG1      ILE  67  -0.294   2.301  -7.738
  473   1HG2  ILE  67          1HG2      ILE  67   2.233  -0.405  -8.287
  474   2HG2  ILE  67          2HG2      ILE  67   3.088  -0.095  -6.776
  475   3HG2  ILE  67          3HG2      ILE  67   3.157   1.084  -8.086
  476   1HD1  ILE  67          1HD1      ILE  67   1.708   3.110  -9.560
  477   2HD1  ILE  67          2HD1      ILE  67   2.515   3.020  -7.995
  478   3HD1  ILE  67          3HD1      ILE  67   1.082   4.029  -8.195
  479    H    LEU  68           H        LEU  68   1.566   0.591  -4.497
  480    HA   LEU  68           HA       LEU  68   3.095  -1.663  -3.997
  481   1HB   LEU  68          2HB       LEU  68   2.037   0.574  -2.353
  482   2HB   LEU  68          1HB       LEU  68   2.545  -0.851  -1.447
  483    HG   LEU  68           HG       LEU  68   4.744  -0.731  -2.815
  484   1HD1  LEU  68          1HD1      LEU  68   5.285   1.550  -3.653
  485   2HD1  LEU  68          2HD1      LEU  68   3.613   2.026  -3.365
  486   3HD1  LEU  68          3HD1      LEU  68   3.983   0.787  -4.565
  487   1HD2  LEU  68          1HD2      LEU  68   3.978   1.396  -0.802
  488   2HD2  LEU  68          2HD2      LEU  68   5.624   1.165  -1.383
  489   3HD2  LEU  68          3HD2      LEU  68   4.815  -0.130  -0.508
  490    H    VAL  69           H        VAL  69  -0.120  -0.936  -2.608
  491    HA   VAL  69           HA       VAL  69  -0.476  -3.417  -1.352
  492    HB   VAL  69           HB       VAL  69  -2.426  -1.340  -2.361
  493   1HG1  VAL  69          1HG1      VAL  69  -3.654  -3.367  -2.242
  494   2HG1  VAL  69          2HG1      VAL  69  -4.000  -2.483  -0.758
  495   3HG1  VAL  69          3HG1      VAL  69  -2.863  -3.833  -0.733
  496   1HG2  VAL  69          1HG2      VAL  69  -1.017  -0.520  -0.573
  497   2HG2  VAL  69          2HG2      VAL  69  -1.236  -2.009   0.346
  498   3HG2  VAL  69          3HG2      VAL  69  -2.590  -0.904   0.126
  499    H    GLY  70           H        GLY  70  -0.508  -2.525  -4.637
  500   1HA   GLY  70          2HA       GLY  70  -2.245  -4.702  -5.515
  501   2HA   GLY  70          1HA       GLY  70  -1.411  -3.541  -6.547
  502    H    GLN  71           H        GLN  71   1.178  -3.890  -5.332
  503    HA   GLN  71           HA       GLN  71   2.020  -6.275  -6.759
  504   1HB   GLN  71          2HB       GLN  71   3.631  -4.270  -5.153
  505   2HB   GLN  71          1HB       GLN  71   4.289  -5.510  -6.225
  506   1HG   GLN  71          2HG       GLN  71   3.204  -4.491  -8.143
  507   2HG   GLN  71          1HG       GLN  71   2.391  -3.325  -7.105
  508   1HE2  GLN  71          1HE2      GLN  71   4.100  -2.055  -5.638
  509   2HE2  GLN  71          2HE2      GLN  71   5.475  -1.517  -6.470
  510    H    ILE  72           H        ILE  72   1.995  -5.049  -3.449
  511    HA   ILE  72           HA       ILE  72   3.277  -7.045  -2.054
  512    HB   ILE  72           HB       ILE  72   1.001  -5.194  -1.495
  513   1HG1  ILE  72          2HG1      ILE  72   3.335  -5.616   0.354
  514   2HG1  ILE  72          1HG1      ILE  72   3.659  -4.892  -1.214
  515   1HG2  ILE  72          1HG2      ILE  72   0.120  -7.111  -0.348
  516   2HG2  ILE  72          2HG2      ILE  72   0.862  -6.084   0.877
  517   3HG2  ILE  72          3HG2      ILE  72   1.705  -7.525   0.307
  518   1HD1  ILE  72          1HD1      ILE  72   1.488  -3.863   0.611
  519   2HD1  ILE  72          2HD1      ILE  72   2.181  -3.072  -0.799
  520   3HD1  ILE  72          3HD1      ILE  72   3.142  -3.259   0.659
  521    H    ASP  73           H        ASP  73  -0.102  -7.012  -3.174
  522    HA   ASP  73           HA       ASP  73  -0.724  -9.630  -2.203
  523   1HB   ASP  73          2HB       ASP  73  -2.457  -7.936  -2.705
  524   2HB   ASP  73          1HB       ASP  73  -2.043  -8.035  -4.415
  525    H    ASP  74           H        ASP  74   0.417  -8.331  -5.269
  526    HA   ASP  74           HA       ASP  74   0.273 -10.709  -6.771
  527   1HB   ASP  74          2HB       ASP  74   0.586  -8.250  -7.574
  528   2HB   ASP  74          1HB       ASP  74   2.300  -8.539  -7.271
  529    H    ALA  75           H        ALA  75   2.325  -9.574  -4.313
  530    HA   ALA  75           HA       ALA  75   4.656 -11.083  -5.065
  531   1HB   ALA  75          1HB       ALA  75   5.647 -10.228  -3.106
  532   2HB   ALA  75          2HB       ALA  75   4.086  -9.981  -2.321
  533   3HB   ALA  75          3HB       ALA  75   4.579  -8.936  -3.652
  534    H    LEU  76           H        LEU  76   2.402 -11.308  -2.282
  535    HA   LEU  76           HA       LEU  76   3.302 -13.776  -1.342
  536   1HB   LEU  76          2HB       LEU  76   1.789 -12.420  -0.022
  537   2HB   LEU  76          1HB       LEU  76   0.518 -12.599  -1.226
  538    HG   LEU  76           HG       LEU  76   1.589 -15.226  -0.331
  539   1HD1  LEU  76          1HD1      LEU  76   0.099 -13.538   1.709
  540   2HD1  LEU  76          2HD1      LEU  76   1.825 -13.889   1.789
  541   3HD1  LEU  76          3HD1      LEU  76   0.652 -15.201   1.906
  542   1HD2  LEU  76          1HD2      LEU  76  -0.502 -14.907  -1.640
  543   2HD2  LEU  76          2HD2      LEU  76  -1.205 -14.021  -0.287
  544   3HD2  LEU  76          3HD2      LEU  76  -0.806 -15.729  -0.110
  545    H    LYS  77           H        LYS  77   0.546 -13.121  -3.537
  546    HA   LYS  77           HA       LYS  77  -0.186 -15.754  -4.047
  547   1HB   LYS  77          2HB       LYS  77  -1.402 -14.944  -5.867
  548   2HB   LYS  77          1HB       LYS  77  -1.237 -13.548  -4.854
  549   1HG   LYS  77          2HG       LYS  77  -0.758 -12.740  -7.002
  550   2HG   LYS  77          1HG       LYS  77   0.796 -12.875  -6.207
  551   1HD   LYS  77          2HD       LYS  77   0.447 -13.698  -8.707
  552   2HD   LYS  77          1HD       LYS  77   1.525 -14.544  -7.627
  553   1HE   LYS  77          2HE       LYS  77   0.031 -16.076  -8.908
  554   2HE   LYS  77          1HE       LYS  77  -0.224 -16.229  -7.174
  555   1HZ   LYS  77          1HZ       LYS  77  -1.909 -14.218  -7.954
  556   2HZ   LYS  77          2HZ       LYS  77  -2.351 -15.820  -7.599
  557   3HZ   LYS  77          3HZ       LYS  77  -2.031 -15.360  -9.203
  558    H    LEU  78           H        LEU  78   2.612 -13.994  -5.154
  559    HA   LEU  78           HA       LEU  78   3.425 -15.920  -7.108
  560   1HB   LEU  78          2HB       LEU  78   4.224 -13.410  -6.633
  561   2HB   LEU  78          1HB       LEU  78   5.440 -14.225  -5.665
  562    HG   LEU  78           HG       LEU  78   6.355 -13.916  -7.869
  563   1HD1  LEU  78          1HD1      LEU  78   7.005 -16.127  -8.366
  564   2HD1  LEU  78          2HD1      LEU  78   5.454 -16.792  -7.861
  565   3HD1  LEU  78          3HD1      LEU  78   6.585 -16.180  -6.655
  566   1HD2  LEU  78          1HD2      LEU  78   5.254 -14.272  -9.870
  567   2HD2  LEU  78          2HD2      LEU  78   3.861 -13.880  -8.867
  568   3HD2  LEU  78          3HD2      LEU  78   4.242 -15.563  -9.228
  569    H    ALA  79           H        ALA  79   4.409 -15.255  -3.750
  570    HA   ALA  79           HA       ALA  79   6.074 -17.597  -3.537
  571   1HB   ALA  79          1HB       ALA  79   4.900 -15.962  -1.279
  572   2HB   ALA  79          2HB       ALA  79   6.331 -15.467  -2.183
  573   3HB   ALA  79          3HB       ALA  79   6.353 -16.961  -1.245
  574    H    ASN  80           H        ASN  80   2.747 -17.085  -3.515
  575    HA   ASN  80           HA       ASN  80   2.035 -19.145  -1.622
  576   1HB   ASN  80          2HB       ASN  80   0.613 -17.106  -2.319
  577   2HB   ASN  80          1HB       ASN  80   0.235 -18.029  -3.773
  578   1HD2  ASN  80          1HD2      ASN  80  -1.144 -17.305  -0.925
  579   2HD2  ASN  80          2HD2      ASN  80  -1.952 -18.757  -0.585
  580    H    GLU  81           H        GLU  81   2.170 -18.714  -5.110
  581    HA   GLU  81           HA       GLU  81   2.250 -21.644  -5.523
  582   1HB   GLU  81          2HB       GLU  81   0.039 -20.472  -6.182
  583   2HB   GLU  81          1HB       GLU  81   0.985 -19.718  -7.471
  584   1HG   GLU  81          2HG       GLU  81   1.682 -21.984  -8.237
  585   2HG   GLU  81          1HG       GLU  81   0.646 -22.697  -7.001
  586    H    GLY  82           H        GLY  82   4.578 -20.419  -5.209
  587   1HA   GLY  82          2HA       GLY  82   6.034 -20.788  -7.523
  588   2HA   GLY  82          1HA       GLY  82   5.590 -19.083  -7.491
  589    H    LYS  83           H        LYS  83   7.360 -21.601  -5.933
  590    HA   LYS  83           HA       LYS  83   8.303 -21.053  -3.619
  591   1HB   LYS  83          2HB       LYS  83   9.554 -22.672  -4.728
  592   2HB   LYS  83          1HB       LYS  83   9.858 -21.639  -6.112
  593   1HG   LYS  83          2HG       LYS  83  11.939 -21.978  -4.917
  594   2HG   LYS  83          1HG       LYS  83  11.466 -20.305  -4.718
  595   1HD   LYS  83          2HD       LYS  83  11.909 -20.751  -2.496
  596   2HD   LYS  83          1HD       LYS  83  10.267 -21.371  -2.511
  597   1HE   LYS  83          2HE       LYS  83  12.819 -22.968  -2.835
  598   2HE   LYS  83          1HE       LYS  83  11.678 -23.045  -1.492
  599   1HZ   LYS  83          1HZ       LYS  83   9.981 -23.790  -3.099
  600   2HZ   LYS  83          2HZ       LYS  83  11.281 -24.873  -2.953
  601   3HZ   LYS  83          3HZ       LYS  83  11.172 -23.848  -4.304
  602    H    VAL  84           H        VAL  84   9.491 -19.755  -2.400
  603    HA   VAL  84           HA       VAL  84   9.277 -17.057  -2.535
  604    HB   VAL  84           HB       VAL  84  11.493 -18.679  -1.268
  605   1HG1  VAL  84          1HG1      VAL  84  12.503 -16.616  -1.075
  606   2HG1  VAL  84          2HG1      VAL  84  11.349 -16.402   0.242
  607   3HG1  VAL  84          3HG1      VAL  84  11.003 -15.735  -1.355
  608   1HG2  VAL  84          1HG2      VAL  84  10.083 -18.046   0.806
  609   2HG2  VAL  84          2HG2      VAL  84   9.434 -19.288  -0.253
  610   3HG2  VAL  84          3HG2      VAL  84   8.805 -17.642  -0.337
  611    H    LYS  85           H        LYS  85  12.055 -18.934  -3.710
  612    HA   LYS  85           HA       LYS  85  13.799 -16.960  -4.443
  613   1HB   LYS  85          2HB       LYS  85  13.101 -19.392  -6.108
  614   2HB   LYS  85          1HB       LYS  85  14.572 -18.431  -6.255
  615   1HG   LYS  85          2HG       LYS  85  15.121 -18.959  -3.884
  616   2HG   LYS  85          1HG       LYS  85  13.693 -19.990  -3.807
  617   1HD   LYS  85          2HD       LYS  85  14.577 -21.441  -5.540
  618   2HD   LYS  85          1HD       LYS  85  15.944 -20.358  -5.802
  619   1HE   LYS  85          2HE       LYS  85  16.717 -20.771  -3.495
  620   2HE   LYS  85          1HE       LYS  85  15.352 -21.854  -3.230
  621   1HZ   LYS  85          1HZ       LYS  85  17.121 -23.238  -3.812
  622   2HZ   LYS  85          2HZ       LYS  85  17.650 -22.210  -5.058
  623   3HZ   LYS  85          3HZ       LYS  85  16.217 -23.104  -5.240
  624    H    GLU  86           H        GLU  86  10.868 -17.929  -6.117
  625    HA   GLU  86           HA       GLU  86  11.294 -16.143  -8.352
  626   1HB   GLU  86          2HB       GLU  86   8.735 -17.530  -7.519
  627   2HB   GLU  86          1HB       GLU  86   9.110 -16.850  -9.102
  628   1HG   GLU  86          2HG       GLU  86  11.107 -18.477  -9.133
  629   2HG   GLU  86          1HG       GLU  86  10.308 -19.282  -7.783
  630    H    ALA  87           H        ALA  87   9.785 -16.069  -5.254
  631    HA   ALA  87           HA       ALA  87   8.243 -13.669  -5.763
  632   1HB   ALA  87          1HB       ALA  87   7.693 -15.577  -4.081
  633   2HB   ALA  87          2HB       ALA  87   7.400 -13.908  -3.593
  634   3HB   ALA  87          3HB       ALA  87   8.837 -14.755  -3.020
  635    H    GLN  88           H        GLN  88  11.078 -14.549  -3.773
  636    HA   GLN  88           HA       GLN  88  11.701 -12.021  -2.809
  637   1HB   GLN  88          2HB       GLN  88  13.675 -12.964  -2.085
  638   2HB   GLN  88          1HB       GLN  88  12.822 -14.444  -2.496
  639   1HG   GLN  88          2HG       GLN  88  14.882 -14.758  -3.557
  640   2HG   GLN  88          1HG       GLN  88  13.900 -14.110  -4.859
  641   1HE2  GLN  88          1HE2      GLN  88  14.014 -11.438  -3.330
  642   2HE2  GLN  88          2HE2      GLN  88  15.512 -10.782  -3.766
  643    H    ALA  89           H        ALA  89  12.285 -13.459  -5.957
  644    HA   ALA  89           HA       ALA  89  13.830 -11.249  -6.960
  645   1HB   ALA  89          1HB       ALA  89  13.491 -12.308  -9.155
  646   2HB   ALA  89          2HB       ALA  89  12.303 -13.405  -8.451
  647   3HB   ALA  89          3HB       ALA  89  13.994 -13.505  -7.962
  648    H    ALA  90           H        ALA  90  10.449 -12.299  -6.993
  649    HA   ALA  90           HA       ALA  90   9.507 -10.201  -8.685
  650   1HB   ALA  90          1HB       ALA  90   7.329 -10.902  -8.115
  651   2HB   ALA  90          2HB       ALA  90   7.841 -11.520  -6.545
  652   3HB   ALA  90          3HB       ALA  90   8.289 -12.377  -8.019
  653    H    ALA  91           H        ALA  91  10.517 -10.336  -5.415
  654    HA   ALA  91           HA       ALA  91   9.012  -8.110  -4.414
  655   1HB   ALA  91          1HB       ALA  91  10.088  -9.950  -3.031
  656   2HB   ALA  91          2HB       ALA  91  10.351  -8.303  -2.457
  657   3HB   ALA  91          3HB       ALA  91  11.630  -9.147  -3.331
  658    H    GLU  92           H        GLU  92  12.146  -8.582  -5.915
  659    HA   GLU  92           HA       GLU  92  13.209  -5.997  -5.418
  660   1HB   GLU  92          2HB       GLU  92  13.844  -7.905  -7.680
  661   2HB   GLU  92          1HB       GLU  92  14.852  -6.568  -7.127
  662   1HG   GLU  92          2HG       GLU  92  13.987  -8.734  -5.212
  663   2HG   GLU  92          1HG       GLU  92  15.386  -8.965  -6.257
  664    H    GLN  93           H        GLN  93  11.588  -7.398  -8.272
  665    HA   GLN  93           HA       GLN  93  11.687  -5.249 -10.001
  666   1HB   GLN  93          2HB       GLN  93   9.171  -6.871  -9.597
  667   2HB   GLN  93          1HB       GLN  93   9.741  -6.111 -11.080
  668   1HG   GLN  93          2HG       GLN  93  11.668  -7.640 -11.140
  669   2HG   GLN  93          1HG       GLN  93  11.122  -8.396  -9.647
  670   1HE2  GLN  93          1HE2      GLN  93   8.566  -9.036  -9.875
  671   2HE2  GLN  93          2HE2      GLN  93   8.213  -9.882 -11.303
  672    H    LEU  94           H        LEU  94  10.089  -5.499  -6.993
  673    HA   LEU  94           HA       LEU  94   8.181  -3.368  -7.475
  674   1HB   LEU  94          2HB       LEU  94   8.958  -4.378  -4.741
  675   2HB   LEU  94          1HB       LEU  94   7.421  -3.707  -5.277
  676    HG   LEU  94           HG       LEU  94   8.578  -6.429  -5.875
  677   1HD1  LEU  94          1HD1      LEU  94   5.994  -5.463  -4.627
  678   2HD1  LEU  94          2HD1      LEU  94   7.330  -6.267  -3.804
  679   3HD1  LEU  94          3HD1      LEU  94   6.359  -7.151  -4.981
  680   1HD2  LEU  94          1HD2      LEU  94   6.355  -6.656  -7.237
  681   2HD2  LEU  94          2HD2      LEU  94   7.725  -5.860  -8.004
  682   3HD2  LEU  94          3HD2      LEU  94   6.416  -4.896  -7.320
  683    H    LYS  95           H        LYS  95  11.125  -3.834  -5.558
  684    HA   LYS  95           HA       LYS  95  11.455  -1.399  -4.381
  685   1HB   LYS  95          2HB       LYS  95  13.595  -2.987  -5.828
  686   2HB   LYS  95          1HB       LYS  95  13.912  -1.687  -4.686
  687   1HG   LYS  95          2HG       LYS  95  12.194  -4.023  -3.852
  688   2HG   LYS  95          1HG       LYS  95  13.940  -4.179  -3.849
  689   1HD   LYS  95          2HD       LYS  95  12.723  -1.768  -2.521
  690   2HD   LYS  95          1HD       LYS  95  12.620  -3.318  -1.701
  691   1HE   LYS  95          2HE       LYS  95  14.622  -2.295  -0.903
  692   2HE   LYS  95          1HE       LYS  95  15.155  -3.510  -2.059
  693   1HZ   LYS  95          1HZ       LYS  95  15.478  -1.869  -3.705
  694   2HZ   LYS  95          2HZ       LYS  95  16.202  -1.267  -2.290
  695   3HZ   LYS  95          3HZ       LYS  95  14.688  -0.679  -2.791
  696    H    THR  96           H        THR  96  12.151  -2.222  -7.751
  697    HA   THR  96           HA       THR  96  13.065   0.398  -8.464
  698    HB   THR  96           HB       THR  96  11.879  -1.619 -10.355
  699    HG1  THR  96           1HG      THR  96  14.380  -2.057 -10.337
  700   1HG2  THR  96          1HG2      THR  96  13.560  -0.669 -11.891
  701   2HG2  THR  96          2HG2      THR  96  14.116   0.408 -10.610
  702   3HG2  THR  96          3HG2      THR  96  12.490   0.587 -11.267
  703    H    THR  97           H        THR  97   9.992  -1.342  -8.884
  704    HA   THR  97           HA       THR  97   8.576   0.579 -10.306
  705    HB   THR  97           HB       THR  97   7.434  -1.210  -8.151
  706    HG1  THR  97           1HG      THR  97   8.821  -2.174  -9.854
  707   1HG2  THR  97          1HG2      THR  97   5.447  -1.143  -9.685
  708   2HG2  THR  97          2HG2      THR  97   6.285   0.081 -10.640
  709   3HG2  THR  97          3HG2      THR  97   5.839   0.420  -8.967
  710    H    ILE  98           H        ILE  98   8.678   0.160  -6.744
  711    HA   ILE  98           HA       ILE  98   7.109   2.468  -6.252
  712    HB   ILE  98           HB       ILE  98   7.593   2.199  -3.964
  713   1HG1  ILE  98          2HG1      ILE  98  10.097   0.707  -4.810
  714   2HG1  ILE  98          1HG1      ILE  98  10.048   2.298  -4.038
  715   1HG2  ILE  98          1HG2      ILE  98   7.130  -0.084  -3.568
  716   2HG2  ILE  98          2HG2      ILE  98   8.041  -0.604  -4.983
  717   3HG2  ILE  98          3HG2      ILE  98   6.495   0.216  -5.185
  718   1HD1  ILE  98          1HD1      ILE  98  10.519   0.734  -2.293
  719   2HD1  ILE  98          2HD1      ILE  98   9.268  -0.377  -2.851
  720   3HD1  ILE  98          3HD1      ILE  98   8.816   1.159  -2.111
  721    H    ARG  99           H        ARG  99  10.492   1.992  -6.966
  722    HA   ARG  99           HA       ARG  99  11.357   4.434  -5.831
  723   1HB   ARG  99          2HB       ARG  99  12.926   2.608  -6.447
  724   2HB   ARG  99          1HB       ARG  99  12.601   2.932  -8.148
  725   1HG   ARG  99          2HG       ARG  99  14.681   4.044  -7.388
  726   2HG   ARG  99          1HG       ARG  99  13.472   5.211  -7.915
  727   1HD   ARG  99          2HD       ARG  99  13.201   6.070  -5.795
  728   2HD   ARG  99          1HD       ARG  99  13.405   4.514  -5.011
  729    HE   ARG  99           HE       ARG  99  15.482   6.436  -5.582
  730   1HH1  ARG  99          1HH2      ARG  99  14.691   3.105  -5.078
  731   2HH1  ARG  99          2HH2      ARG  99  16.278   2.667  -4.539
  732   1HH2  ARG  99          1HH1      ARG  99  17.566   5.868  -4.879
  733   2HH2  ARG  99          2HH1      ARG  99  17.905   4.231  -4.426
  734    H    ALA 100           H        ALA 100   9.714   3.644  -8.745
  735    HA   ALA 100           HA       ALA 100  10.282   6.142 -10.078
  736   1HB   ALA 100          1HB       ALA 100   8.420   5.492 -11.563
  737   2HB   ALA 100          2HB       ALA 100   8.007   4.165 -10.478
  738   3HB   ALA 100          3HB       ALA 100   9.539   4.146 -11.353
  739    H    TYR 101           H        TYR 101   7.847   4.807  -7.902
  740    HA   TYR 101           HA       TYR 101   6.251   7.227  -7.930
  741   1HB   TYR 101          2HB       TYR 101   4.895   5.412  -7.415
  742   2HB   TYR 101          1HB       TYR 101   6.154   4.593  -6.498
  743    HD1  TYR 101           1HD      TYR 101   4.870   8.087  -6.207
  744    HD2  TYR 101           2HD      TYR 101   5.223   4.235  -4.349
  745    HE1  TYR 101           1HE      TYR 101   3.971   9.028  -4.100
  746    HE2  TYR 101           2HE      TYR 101   4.304   5.167  -2.241
  747    HH   TYR 101           HH       TYR 101   4.158   7.425  -1.146
  748    H    ASN 102           H        ASN 102   8.585   5.678  -5.761
  749    HA   ASN 102           HA       ASN 102   8.456   7.599  -3.699
  750   1HB   ASN 102          2HB       ASN 102   9.542   5.210  -3.718
  751   2HB   ASN 102          1HB       ASN 102  10.972   6.056  -4.311
  752   1HD2  ASN 102          1HD2      ASN 102  10.361   8.511  -2.821
  753   2HD2  ASN 102          2HD2      ASN 102  10.707   8.180  -1.192
  754    H    GLN 103           H        GLN 103  10.476   7.325  -6.591
  755    HA   GLN 103           HA       GLN 103  12.048   9.660  -5.940
  756   1HB   GLN 103          2HB       GLN 103  12.906   7.761  -7.344
  757   2HB   GLN 103          1HB       GLN 103  11.772   8.252  -8.601
  758   1HG   GLN 103          2HG       GLN 103  12.864  10.324  -8.940
  759   2HG   GLN 103          1HG       GLN 103  13.752  10.204  -7.423
  760   1HE2  GLN 103          1HE2      GLN 103  13.348   7.968 -10.239
  761   2HE2  GLN 103          2HE2      GLN 103  15.012   7.709 -10.444
  762    H    LYS 104           H        LYS 104   9.376   8.852  -8.112
  763    HA   LYS 104           HA       LYS 104   9.184  11.163  -9.591
  764   1HB   LYS 104          2HB       LYS 104   7.618   9.516 -10.153
  765   2HB   LYS 104          1HB       LYS 104   7.044   9.351  -8.495
  766   1HG   LYS 104          2HG       LYS 104   5.662  11.218  -8.641
  767   2HG   LYS 104          1HG       LYS 104   6.687  12.020  -9.829
  768   1HD   LYS 104          2HD       LYS 104   5.941  10.381 -11.544
  769   2HD   LYS 104          1HD       LYS 104   4.877   9.638 -10.349
  770   1HE   LYS 104          2HE       LYS 104   3.511  11.158 -11.589
  771   2HE   LYS 104          1HE       LYS 104   3.828  11.942 -10.042
  772   1HZ   LYS 104          1HZ       LYS 104   5.924  12.657 -11.668
  773   2HZ   LYS 104          2HZ       LYS 104   4.620  13.641 -11.200
  774   3HZ   LYS 104          3HZ       LYS 104   4.554  12.777 -12.661
  775    H    TYR 105           H        TYR 105   7.916  10.595  -6.326
  776    HA   TYR 105           HA       TYR 105   7.256  13.456  -6.053
  777   1HB   TYR 105          2HB       TYR 105   6.121  10.987  -5.054
  778   2HB   TYR 105          1HB       TYR 105   6.582  11.979  -3.678
  779    HD1  TYR 105           1HD      TYR 105   5.261  12.875  -7.079
  780    HD2  TYR 105           2HD      TYR 105   4.648  13.010  -2.837
  781    HE1  TYR 105           1HE      TYR 105   3.243  14.250  -7.429
  782    HE2  TYR 105           2HE      TYR 105   2.621  14.398  -3.181
  783    HH   TYR 105           HH       TYR 105   1.953  16.018  -5.920
  784    H    GLY 106           H        GLY 106   9.561  11.072  -5.090
  785   1HA   GLY 106          2HA       GLY 106  10.543  12.005  -2.686
  786   2HA   GLY 106          1HA       GLY 106  11.546  11.280  -3.937
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1 -11.393 -30.752  13.902
    2   2H    ALA   1          2HT       ALA   1 -11.050 -32.354  13.454
    3   3H    ALA   1          3HT       ALA   1 -12.651 -31.786  13.426
    4    HA   ALA   1           HA       ALA   1 -10.423 -31.065  11.616
    5   1HB   ALA   1          1HB       ALA   1 -13.227 -32.130  11.156
    6   2HB   ALA   1          2HB       ALA   1 -11.742 -33.076  11.060
    7   3HB   ALA   1          3HB       ALA   1 -12.042 -31.784   9.896
    8    H    ASP   2           H        ASP   2 -11.074 -29.025  13.257
    9    HA   ASP   2           HA       ASP   2 -13.262 -27.447  12.227
   10   1HB   ASP   2          2HB       ASP   2 -10.979 -26.643  14.048
   11   2HB   ASP   2          1HB       ASP   2 -12.464 -25.734  13.775
   12    H    LEU   3           H        LEU   3 -12.764 -25.114  11.560
   13    HA   LEU   3           HA       LEU   3 -10.290 -24.793  10.032
   14   1HB   LEU   3          2HB       LEU   3 -11.605 -24.125   7.994
   15   2HB   LEU   3          1HB       LEU   3 -11.642 -25.848   8.356
   16    HG   LEU   3           HG       LEU   3 -13.820 -24.158   9.560
   17   1HD1  LEU   3          1HD1      LEU   3 -13.783 -23.278   7.292
   18   2HD1  LEU   3          2HD1      LEU   3 -15.158 -24.368   7.458
   19   3HD1  LEU   3          3HD1      LEU   3 -13.702 -24.907   6.623
   20   1HD2  LEU   3          1HD2      LEU   3 -13.749 -26.896   8.239
   21   2HD2  LEU   3          2HD2      LEU   3 -15.155 -26.184   9.029
   22   3HD2  LEU   3          3HD2      LEU   3 -13.726 -26.590   9.975
   23    H    GLU   4           H        GLU   4 -12.957 -23.584  11.759
   24    HA   GLU   4           HA       GLU   4 -12.737 -20.839  10.892
   25   1HB   GLU   4          2HB       GLU   4 -14.145 -22.095  13.258
   26   2HB   GLU   4          1HB       GLU   4 -14.281 -20.399  12.792
   27   1HG   GLU   4          2HG       GLU   4 -15.117 -21.106  10.560
   28   2HG   GLU   4          1HG       GLU   4 -15.047 -22.786  11.087
   29    H    ASP   5           H        ASP   5 -10.434 -22.457  12.165
   30    HA   ASP   5           HA       ASP   5  -9.842 -21.023  14.600
   31   1HB   ASP   5          2HB       ASP   5  -9.060 -23.350  14.189
   32   2HB   ASP   5          1HB       ASP   5  -8.024 -22.744  12.899
   33    H    ASN   6           H        ASN   6  -7.508 -20.048  14.697
   34    HA   ASN   6           HA       ASN   6  -6.666 -18.628  12.318
   35   1HB   ASN   6          2HB       ASN   6  -7.879 -17.121  14.646
   36   2HB   ASN   6          1HB       ASN   6  -6.982 -16.379  13.322
   37   1HD2  ASN   6          1HD2      ASN   6  -9.996 -18.091  14.124
   38   2HD2  ASN   6          2HD2      ASN   6 -10.807 -17.676  12.692
   39    H    ASP   7           H        ASP   7  -6.443 -17.710  15.737
   40    HA   ASP   7           HA       ASP   7  -3.592 -17.490  15.609
   41   1HB   ASP   7          2HB       ASP   7  -5.446 -17.508  18.002
   42   2HB   ASP   7          1HB       ASP   7  -3.751 -17.024  18.022
   43    H    GLU   8           H        GLU   8  -5.378 -19.366  18.033
   44    HA   GLU   8           HA       GLU   8  -4.256 -21.886  17.313
   45   1HB   GLU   8          2HB       GLU   8  -2.253 -20.606  18.247
   46   2HB   GLU   8          1HB       GLU   8  -3.070 -20.671  19.808
   47   1HG   GLU   8          2HG       GLU   8  -3.173 -23.143  19.634
   48   2HG   GLU   8          1HG       GLU   8  -2.304 -23.058  18.102
   49    H    THR   9           H        THR   9  -5.090 -20.075  20.281
   50    HA   THR   9           HA       THR   9  -7.412 -21.804  20.710
   51    HB   THR   9           HB       THR   9  -6.630 -22.131  23.139
   52    HG1  THR   9           1HG      THR   9  -4.882 -20.891  23.325
   53   1HG2  THR   9          1HG2      THR   9  -5.088 -23.520  20.930
   54   2HG2  THR   9          2HG2      THR   9  -6.723 -23.938  21.438
   55   3HG2  THR   9          3HG2      THR   9  -5.373 -24.147  22.553
   56    H    GLY  10           H        GLY  10  -5.547 -18.952  21.333
   57   1HA   GLY  10          2HA       GLY  10  -7.494 -17.114  21.585
   58   2HA   GLY  10          1HA       GLY  10  -7.457 -17.810  23.204
   59    H    ASN  11           H        ASN  11  -4.442 -18.302  22.500
   60    HA   ASN  11           HA       ASN  11  -3.507 -15.891  23.808
   61   1HB   ASN  11          2HB       ASN  11  -1.801 -18.118  22.700
   62   2HB   ASN  11          1HB       ASN  11  -1.422 -17.005  24.012
   63   1HD2  ASN  11          1HD2      ASN  11  -3.464 -17.118  25.757
   64   2HD2  ASN  11          2HD2      ASN  11  -3.798 -18.706  26.255
   65    H    ASP  12           H        ASP  12  -2.517 -14.192  22.887
   66    HA   ASP  12           HA       ASP  12  -2.568 -13.874  20.049
   67   1HB   ASP  12          2HB       ASP  12  -1.183 -12.180  22.142
   68   2HB   ASP  12          1HB       ASP  12  -1.542 -11.699  20.484
   69    H    ASN  13           H        ASN  13  -0.257 -15.099  22.286
   70    HA   ASN  13           HA       ASN  13   2.063 -14.642  20.632
   71   1HB   ASN  13          2HB       ASN  13   1.620 -16.403  23.052
   72   2HB   ASN  13          1HB       ASN  13   3.182 -16.154  22.272
   73   1HD2  ASN  13          1HD2      ASN  13   0.483 -13.955  23.246
   74   2HD2  ASN  13          2HD2      ASN  13   1.490 -12.860  24.061
   75    H    GLY  14           H        GLY  14  -0.476 -16.921  20.717
   76   1HA   GLY  14          2HA       GLY  14   0.734 -19.283  19.857
   77   2HA   GLY  14          1HA       GLY  14  -0.911 -18.799  19.458
   78    H    LYS  15           H        LYS  15   1.404 -20.066  17.907
   79    HA   LYS  15           HA       LYS  15   0.969 -18.541  15.453
   80   1HB   LYS  15          2HB       LYS  15   3.480 -18.591  14.999
   81   2HB   LYS  15          1HB       LYS  15   2.928 -17.412  16.190
   82   1HG   LYS  15          2HG       LYS  15   3.665 -18.748  18.014
   83   2HG   LYS  15          1HG       LYS  15   3.854 -20.174  16.995
   84   1HD   LYS  15          2HD       LYS  15   6.044 -19.159  17.513
   85   2HD   LYS  15          1HD       LYS  15   5.699 -19.076  15.785
   86   1HE   LYS  15          2HE       LYS  15   5.158 -16.766  15.893
   87   2HE   LYS  15          1HE       LYS  15   5.017 -16.799  17.652
   88   1HZ   LYS  15          1HZ       LYS  15   7.124 -16.143  17.685
   89   2HZ   LYS  15          2HZ       LYS  15   7.332 -16.430  16.023
   90   3HZ   LYS  15          3HZ       LYS  15   7.550 -17.691  17.140
   91    H    GLY  16           H        GLY  16   0.126 -21.133  16.351
   92   1HA   GLY  16          2HA       GLY  16  -0.087 -23.252  15.474
   93   2HA   GLY  16          1HA       GLY  16   0.847 -22.693  14.090
   94    H    GLY  17           H        GLY  17   3.221 -21.958  15.408
   95   1HA   GLY  17          2HA       GLY  17   5.074 -22.805  16.564
   96   2HA   GLY  17          1HA       GLY  17   4.176 -24.285  16.890
   97    H    GLU  18           H        GLU  18   5.350 -22.477  14.039
   98    HA   GLU  18           HA       GLU  18   6.991 -24.639  13.141
   99   1HB   GLU  18          2HB       GLU  18   4.647 -25.450  12.596
  100   2HB   GLU  18          1HB       GLU  18   4.541 -24.109  11.454
  101   1HG   GLU  18          2HG       GLU  18   6.492 -24.936  10.243
  102   2HG   GLU  18          1HG       GLU  18   6.712 -26.224  11.425
  103    H    LYS  19           H        LYS  19   5.651 -21.502  12.886
  104    HA   LYS  19           HA       LYS  19   6.282 -19.612  11.770
  105   1HB   LYS  19          2HB       LYS  19   8.424 -19.421  12.514
  106   2HB   LYS  19          1HB       LYS  19   8.709 -21.129  12.327
  107   1HG   LYS  19          2HG       LYS  19   8.748 -19.362   9.875
  108   2HG   LYS  19          1HG       LYS  19  10.132 -19.398  10.934
  109   1HD   LYS  19          2HD       LYS  19   8.919 -21.854   9.633
  110   2HD   LYS  19          1HD       LYS  19  10.363 -21.020   9.083
  111   1HE   LYS  19          2HE       LYS  19  11.065 -21.426  11.671
  112   2HE   LYS  19          1HE       LYS  19  10.014 -22.824  11.425
  113   1HZ   LYS  19          1HZ       LYS  19  11.307 -23.507   9.574
  114   2HZ   LYS  19          2HZ       LYS  19  12.385 -23.193  10.849
  115   3HZ   LYS  19          3HZ       LYS  19  12.214 -22.073   9.583
  116    H    ALA  20           H        ALA  20   6.556 -18.713   9.719
  117    HA   ALA  20           HA       ALA  20   5.584 -20.388   7.579
  118   1HB   ALA  20          1HB       ALA  20   4.769 -18.110   7.701
  119   2HB   ALA  20          2HB       ALA  20   5.754 -18.259   6.247
  120   3HB   ALA  20          3HB       ALA  20   6.414 -17.474   7.681
  121    H    ASP  21           H        ASP  21   7.000 -19.239   5.370
  122    HA   ASP  21           HA       ASP  21   9.826 -19.691   5.829
  123   1HB   ASP  21          2HB       ASP  21   9.016 -21.994   5.757
  124   2HB   ASP  21          1HB       ASP  21   8.239 -21.690   4.204
  125    H    ASN  22           H        ASN  22   7.987 -20.442   2.898
  126    HA   ASN  22           HA       ASN  22   9.344 -18.189   1.532
  127   1HB   ASN  22          2HB       ASN  22   8.770 -19.587  -0.546
  128   2HB   ASN  22          1HB       ASN  22  10.031 -20.197   0.523
  129   1HD2  ASN  22          1HD2      ASN  22   9.125 -22.249  -0.812
  130   2HD2  ASN  22          2HD2      ASN  22   7.930 -23.136   0.004
  131    H    ALA  23           H        ALA  23   6.632 -19.980   0.225
  132    HA   ALA  23           HA       ALA  23   5.281 -17.816  -0.801
  133   1HB   ALA  23          1HB       ALA  23   4.051 -20.383   0.229
  134   2HB   ALA  23          2HB       ALA  23   4.759 -20.153  -1.369
  135   3HB   ALA  23          3HB       ALA  23   3.305 -19.265  -0.913
  136    H    ALA  24           H        ALA  24   4.553 -19.449   2.281
  137    HA   ALA  24           HA       ALA  24   2.480 -17.761   3.099
  138   1HB   ALA  24          1HB       ALA  24   3.193 -18.485   5.449
  139   2HB   ALA  24          2HB       ALA  24   4.473 -19.403   4.654
  140   3HB   ALA  24          3HB       ALA  24   2.784 -19.770   4.313
  141    H    GLN  25           H        GLN  25   5.920 -17.599   4.039
  142    HA   GLN  25           HA       GLN  25   5.807 -15.266   5.553
  143   1HB   GLN  25          2HB       GLN  25   7.715 -16.751   5.529
  144   2HB   GLN  25          1HB       GLN  25   8.015 -16.385   3.828
  145   1HG   GLN  25          2HG       GLN  25   8.767 -14.213   4.292
  146   2HG   GLN  25          1HG       GLN  25   7.949 -14.153   5.851
  147   1HE2  GLN  25          1HE2      GLN  25   9.907 -16.987   4.900
  148   2HE2  GLN  25          2HE2      GLN  25  11.148 -16.693   6.018
  149    H    VAL  26           H        VAL  26   6.730 -15.589   2.121
  150    HA   VAL  26           HA       VAL  26   7.051 -12.880   1.562
  151    HB   VAL  26           HB       VAL  26   6.523 -15.346  -0.048
  152   1HG1  VAL  26          1HG1      VAL  26   6.507 -13.919  -2.152
  153   2HG1  VAL  26          2HG1      VAL  26   6.127 -12.543  -1.117
  154   3HG1  VAL  26          3HG1      VAL  26   5.009 -13.906  -1.217
  155   1HG2  VAL  26          1HG2      VAL  26   8.566 -14.508  -1.225
  156   2HG2  VAL  26          2HG2      VAL  26   8.815 -14.718   0.505
  157   3HG2  VAL  26          3HG2      VAL  26   8.571 -13.105  -0.165
  158    H    LYS  27           H        LYS  27   4.160 -14.874   0.879
  159    HA   LYS  27           HA       LYS  27   2.402 -13.102  -0.110
  160   1HB   LYS  27          2HB       LYS  27   2.017 -15.230   1.970
  161   2HB   LYS  27          1HB       LYS  27   0.647 -14.267   1.415
  162   1HG   LYS  27          2HG       LYS  27   0.868 -15.037  -0.816
  163   2HG   LYS  27          1HG       LYS  27   2.494 -15.653  -0.533
  164   1HD   LYS  27          2HD       LYS  27   0.812 -17.480  -0.616
  165   2HD   LYS  27          1HD       LYS  27   1.605 -17.386   0.957
  166   1HE   LYS  27          2HE       LYS  27  -0.956 -17.633   0.965
  167   2HE   LYS  27          1HE       LYS  27  -0.279 -16.351   1.968
  168   1HZ   LYS  27          1HZ       LYS  27  -1.036 -14.737   0.585
  169   2HZ   LYS  27          2HZ       LYS  27  -2.233 -15.904   0.287
  170   3HZ   LYS  27          3HZ       LYS  27  -0.946 -15.705  -0.803
  171    H    ASP  28           H        ASP  28   2.627 -13.547   3.435
  172    HA   ASP  28           HA       ASP  28   1.093 -11.317   4.125
  173   1HB   ASP  28          2HB       ASP  28   3.402 -12.556   5.643
  174   2HB   ASP  28          1HB       ASP  28   2.206 -11.456   6.327
  175    H    ALA  29           H        ALA  29   4.430 -11.585   3.148
  176    HA   ALA  29           HA       ALA  29   5.246  -8.995   4.035
  177   1HB   ALA  29          1HB       ALA  29   6.689 -11.082   3.374
  178   2HB   ALA  29          2HB       ALA  29   7.300  -9.462   3.038
  179   3HB   ALA  29          3HB       ALA  29   6.578 -10.417   1.745
  180    H    LEU  30           H        LEU  30   3.342 -10.078   1.375
  181    HA   LEU  30           HA       LEU  30   3.978  -7.766  -0.302
  182   1HB   LEU  30          2HB       LEU  30   1.796  -9.842  -0.610
  183   2HB   LEU  30          1HB       LEU  30   2.321  -8.689  -1.834
  184    HG   LEU  30           HG       LEU  30   4.154 -10.766  -0.594
  185   1HD1  LEU  30          1HD1      LEU  30   3.793 -12.150  -2.492
  186   2HD1  LEU  30          2HD1      LEU  30   2.901 -10.886  -3.338
  187   3HD1  LEU  30          3HD1      LEU  30   2.187 -11.684  -1.939
  188   1HD2  LEU  30          1HD2      LEU  30   4.405  -8.766  -2.845
  189   2HD2  LEU  30          2HD2      LEU  30   5.395 -10.224  -2.823
  190   3HD2  LEU  30          3HD2      LEU  30   5.512  -9.063  -1.506
  191    H    THR  31           H        THR  31   1.451  -8.899   1.869
  192    HA   THR  31           HA       THR  31  -0.400  -6.822   1.323
  193    HB   THR  31           HB       THR  31  -1.501  -7.511   3.364
  194    HG1  THR  31           1HG      THR  31  -0.473  -8.590   4.895
  195   1HG2  THR  31          1HG2      THR  31  -1.739  -8.937   1.411
  196   2HG2  THR  31          2HG2      THR  31  -1.691  -9.934   2.867
  197   3HG2  THR  31          3HG2      THR  31  -0.261  -9.808   1.834
  198    H    LYS  32           H        LYS  32   2.500  -7.020   3.216
  199    HA   LYS  32           HA       LYS  32   2.127  -4.973   5.063
  200   1HB   LYS  32          2HB       LYS  32   4.182  -6.460   4.796
  201   2HB   LYS  32          1HB       LYS  32   4.677  -5.408   3.475
  202   1HG   LYS  32          2HG       LYS  32   3.972  -4.056   6.062
  203   2HG   LYS  32          1HG       LYS  32   5.459  -4.994   6.043
  204   1HD   LYS  32          2HD       LYS  32   6.260  -3.725   4.094
  205   2HD   LYS  32          1HD       LYS  32   4.766  -2.789   4.076
  206   1HE   LYS  32          2HE       LYS  32   6.737  -1.675   5.237
  207   2HE   LYS  32          1HE       LYS  32   5.260  -1.790   6.195
  208   1HZ   LYS  32          1HZ       LYS  32   7.593  -2.561   7.118
  209   2HZ   LYS  32          2HZ       LYS  32   7.145  -4.012   6.357
  210   3HZ   LYS  32          3HZ       LYS  32   6.153  -3.339   7.561
  211    H    MET  33           H        MET  33   3.677  -4.675   1.857
  212    HA   MET  33           HA       MET  33   3.684  -1.924   1.627
  213   1HB   MET  33          2HB       MET  33   2.951  -3.587  -0.763
  214   2HB   MET  33          1HB       MET  33   4.135  -2.286  -0.627
  215   1HG   MET  33          2HG       MET  33   4.384  -5.136   0.363
  216   2HG   MET  33          1HG       MET  33   5.393  -4.304  -0.796
  217   1HE   MET  33          1HE       MET  33   7.340  -5.111   0.216
  218   2HE   MET  33          2HE       MET  33   6.864  -5.796   1.767
  219   3HE   MET  33          3HE       MET  33   8.103  -4.547   1.708
  220    H    ARG  34           H        ARG  34   1.204  -4.038   0.127
  221    HA   ARG  34           HA       ARG  34  -0.695  -2.253  -0.607
  222   1HB   ARG  34          2HB       ARG  34  -0.863  -4.767  -0.718
  223   2HB   ARG  34          1HB       ARG  34  -1.372  -4.740   0.963
  224   1HG   ARG  34          2HG       ARG  34  -3.271  -3.305   0.404
  225   2HG   ARG  34          1HG       ARG  34  -2.757  -3.253  -1.285
  226   1HD   ARG  34          2HD       ARG  34  -3.181  -5.590  -1.578
  227   2HD   ARG  34          1HD       ARG  34  -3.350  -5.848   0.158
  228    HE   ARG  34           HE       ARG  34  -5.297  -3.982  -0.641
  229   1HH1  ARG  34          1HH2      ARG  34  -4.419  -7.301  -1.097
  230   2HH1  ARG  34          2HH2      ARG  34  -6.044  -7.836  -1.365
  231   1HH2  ARG  34          1HH1      ARG  34  -7.427  -4.679  -0.993
  232   2HH2  ARG  34          2HH1      ARG  34  -7.746  -6.352  -1.307
  233    H    ALA  35           H        ALA  35  -1.138  -3.892   2.520
  234    HA   ALA  35           HA       ALA  35  -2.988  -2.194   3.617
  235   1HB   ALA  35          1HB       ALA  35  -0.729  -3.543   5.113
  236   2HB   ALA  35          2HB       ALA  35  -2.252  -4.306   4.655
  237   3HB   ALA  35          3HB       ALA  35  -2.247  -2.976   5.813
  238    H    ALA  36           H        ALA  36   0.432  -1.610   3.255
  239    HA   ALA  36           HA       ALA  36   0.448   0.675   5.048
  240   1HB   ALA  36          1HB       ALA  36   2.763   0.881   4.518
  241   2HB   ALA  36          2HB       ALA  36   2.591  -0.106   3.068
  242   3HB   ALA  36          3HB       ALA  36   2.441  -0.846   4.661
  243    H    ALA  37           H        ALA  37   0.059   0.010   1.655
  244    HA   ALA  37           HA       ALA  37   0.548   2.642   0.693
  245   1HB   ALA  37          1HB       ALA  37   0.539   0.658  -0.784
  246   2HB   ALA  37          2HB       ALA  37  -0.602   1.885  -1.337
  247   3HB   ALA  37          3HB       ALA  37  -1.187   0.455  -0.487
  248    H    LEU  38           H        LEU  38  -2.360   0.860   1.672
  249    HA   LEU  38           HA       LEU  38  -4.173   3.006   1.136
  250   1HB   LEU  38          2HB       LEU  38  -4.479   0.699   3.073
  251   2HB   LEU  38          1HB       LEU  38  -5.781   1.709   2.447
  252    HG   LEU  38           HG       LEU  38  -3.942   0.143   0.623
  253   1HD1  LEU  38          1HD1      LEU  38  -5.009  -1.465   2.118
  254   2HD1  LEU  38          2HD1      LEU  38  -5.756  -1.562   0.523
  255   3HD1  LEU  38          3HD1      LEU  38  -6.583  -0.722   1.834
  256   1HD2  LEU  38          1HD2      LEU  38  -6.633   1.505   0.321
  257   2HD2  LEU  38          2HD2      LEU  38  -6.050   0.316  -0.841
  258   3HD2  LEU  38          3HD2      LEU  38  -5.151   1.808  -0.585
  259    H    ASP  39           H        ASP  39  -2.621   1.823   4.093
  260    HA   ASP  39           HA       ASP  39  -3.718   3.661   5.889
  261   1HB   ASP  39          2HB       ASP  39  -2.509   1.706   6.652
  262   2HB   ASP  39          1HB       ASP  39  -1.025   2.287   5.901
  263    H    ALA  40           H        ALA  40  -0.593   3.803   4.172
  264    HA   ALA  40           HA       ALA  40   0.206   6.328   5.084
  265   1HB   ALA  40          1HB       ALA  40   1.550   6.346   2.901
  266   2HB   ALA  40          2HB       ALA  40   0.818   4.780   2.570
  267   3HB   ALA  40          3HB       ALA  40   1.833   4.995   3.995
  268    H    GLN  41           H        GLN  41  -1.504   5.446   2.091
  269    HA   GLN  41           HA       GLN  41  -1.778   7.761   0.772
  270   1HB   GLN  41          2HB       GLN  41  -2.839   6.030  -0.292
  271   2HB   GLN  41          1HB       GLN  41  -3.445   5.361   1.223
  272   1HG   GLN  41          2HG       GLN  41  -5.243   7.000   1.287
  273   2HG   GLN  41          1HG       GLN  41  -4.592   7.818  -0.142
  274   1HE2  GLN  41          1HE2      GLN  41  -3.905   4.677  -0.744
  275   2HE2  GLN  41          2HE2      GLN  41  -5.325   4.202  -1.559
  276    H    LYS  42           H        LYS  42  -3.872   6.788   3.513
  277    HA   LYS  42           HA       LYS  42  -4.212   9.597   4.233
  278   1HB   LYS  42          2HB       LYS  42  -6.497   7.960   3.127
  279   2HB   LYS  42          1HB       LYS  42  -6.763   9.351   4.175
  280   1HG   LYS  42          2HG       LYS  42  -5.317  10.690   2.530
  281   2HG   LYS  42          1HG       LYS  42  -5.451   9.313   1.443
  282   1HD   LYS  42          2HD       LYS  42  -7.943  10.536   2.625
  283   2HD   LYS  42          1HD       LYS  42  -7.169  11.277   1.228
  284   1HE   LYS  42          2HE       LYS  42  -7.493   9.356  -0.119
  285   2HE   LYS  42          1HE       LYS  42  -7.837   8.332   1.273
  286   1HZ   LYS  42          1HZ       LYS  42  -9.608  10.563   1.123
  287   2HZ   LYS  42          2HZ       LYS  42  -9.966   8.906   1.230
  288   3HZ   LYS  42          3HZ       LYS  42  -9.676   9.620  -0.284
  289    H    ALA  43           H        ALA  43  -3.015   8.157   5.932
  290    HA   ALA  43           HA       ALA  43  -4.882   7.866   8.122
  291   1HB   ALA  43          1HB       ALA  43  -3.232   5.402   7.721
  292   2HB   ALA  43          2HB       ALA  43  -4.671   5.601   6.724
  293   3HB   ALA  43          3HB       ALA  43  -4.812   5.593   8.479
  294    H    THR  44           H        THR  44  -1.605   6.923   7.098
  295    HA   THR  44           HA       THR  44  -0.503   8.056   9.596
  296    HB   THR  44           HB       THR  44   0.599   6.006   7.668
  297    HG1  THR  44           1HG      THR  44   0.305   5.357  10.288
  298   1HG2  THR  44          1HG2      THR  44   2.548   6.989   8.474
  299   2HG2  THR  44          2HG2      THR  44   2.243   5.784   9.721
  300   3HG2  THR  44          3HG2      THR  44   1.802   7.467  10.001
  301    HA   PRO  45           HA       PRO  45   0.333  11.309   6.259
  302   1HB   PRO  45          2HB       PRO  45   1.300  12.335   8.920
  303   2HB   PRO  45          1HB       PRO  45   0.603  13.243   7.560
  304   1HG   PRO  45          2HG       PRO  45  -0.902  12.563   9.641
  305   2HG   PRO  45          1HG       PRO  45  -1.548  12.504   7.991
  306   1HD   PRO  45          2HD       PRO  45  -0.876  10.258   9.802
  307   2HD   PRO  45          1HD       PRO  45  -1.946  10.267   8.385
  308    HA   PRO  46           HA       PRO  46   4.588   9.565   6.509
  309   1HB   PRO  46          2HB       PRO  46   4.896   8.848   3.952
  310   2HB   PRO  46          1HB       PRO  46   3.797   7.947   5.015
  311   1HG   PRO  46          2HG       PRO  46   3.144  10.019   2.960
  312   2HG   PRO  46          1HG       PRO  46   2.334   8.492   3.301
  313   1HD   PRO  46          2HD       PRO  46   1.498  10.971   4.274
  314   2HD   PRO  46          1HD       PRO  46   1.047   9.405   4.988
  315    H    LYS  47           H        LYS  47   4.836  10.494   3.246
  316    HA   LYS  47           HA       LYS  47   6.811  12.504   3.837
  317   1HB   LYS  47          2HB       LYS  47   5.624  11.591   1.205
  318   2HB   LYS  47          1HB       LYS  47   7.041  12.625   1.383
  319   1HG   LYS  47          2HG       LYS  47   8.384  10.895   2.186
  320   2HG   LYS  47          1HG       LYS  47   7.017   9.978   2.814
  321   1HD   LYS  47          2HD       LYS  47   7.947   8.865   0.836
  322   2HD   LYS  47          1HD       LYS  47   6.318   9.452   0.495
  323   1HE   LYS  47          2HE       LYS  47   7.243  11.433  -0.622
  324   2HE   LYS  47          1HE       LYS  47   8.881  10.898  -0.242
  325   1HZ   LYS  47          1HZ       LYS  47   7.149  10.063  -2.347
  326   2HZ   LYS  47          2HZ       LYS  47   7.705   8.739  -1.438
  327   3HZ   LYS  47          3HZ       LYS  47   8.815   9.807  -2.158
  328    H    LEU  48           H        LEU  48   3.433  12.458   3.277
  329    HA   LEU  48           HA       LEU  48   3.243  15.138   2.197
  330   1HB   LEU  48          2HB       LEU  48   0.963  13.688   3.534
  331   2HB   LEU  48          1HB       LEU  48   0.920  14.823   2.181
  332    HG   LEU  48           HG       LEU  48   2.138  12.037   2.083
  333   1HD1  LEU  48          1HD1      LEU  48  -0.395  12.190   2.302
  334   2HD1  LEU  48          2HD1      LEU  48   0.204  11.350   0.872
  335   3HD1  LEU  48          3HD1      LEU  48  -0.390  13.003   0.739
  336   1HD2  LEU  48          1HD2      LEU  48   1.986  12.578  -0.439
  337   2HD2  LEU  48          2HD2      LEU  48   3.264  13.376   0.477
  338   3HD2  LEU  48          3HD2      LEU  48   1.796  14.260   0.061
  339    H    GLU  49           H        GLU  49   4.616  14.580   4.851
  340    HA   GLU  49           HA       GLU  49   3.215  15.476   7.046
  341   1HB   GLU  49          2HB       GLU  49   5.659  14.758   6.929
  342   2HB   GLU  49          1HB       GLU  49   6.018  16.409   6.421
  343   1HG   GLU  49          2HG       GLU  49   6.298  16.360   8.800
  344   2HG   GLU  49          1HG       GLU  49   4.779  17.199   8.492
  345    H    ASP  50           H        ASP  50   4.211  17.248   4.234
  346    HA   ASP  50           HA       ASP  50   2.626  19.530   5.041
  347   1HB   ASP  50          2HB       ASP  50   4.503  21.147   4.751
  348   2HB   ASP  50          1HB       ASP  50   4.694  20.108   6.162
  349    H    LYS  51           H        LYS  51   2.311  17.722   2.941
  350    HA   LYS  51           HA       LYS  51   2.672  19.505   0.617
  351   1HB   LYS  51          2HB       LYS  51   3.100  16.534   0.317
  352   2HB   LYS  51          1HB       LYS  51   3.561  17.840  -0.776
  353   1HG   LYS  51          2HG       LYS  51   5.074  18.618   1.227
  354   2HG   LYS  51          1HG       LYS  51   4.874  16.962   1.789
  355   1HD   LYS  51          2HD       LYS  51   6.012  17.854  -0.876
  356   2HD   LYS  51          1HD       LYS  51   6.888  17.075   0.440
  357   1HE   LYS  51          2HE       LYS  51   4.714  15.861  -1.286
  358   2HE   LYS  51          1HE       LYS  51   6.405  15.373  -1.193
  359   1HZ   LYS  51          1HZ       LYS  51   5.792  15.101   1.327
  360   2HZ   LYS  51          2HZ       LYS  51   5.477  13.864   0.206
  361   3HZ   LYS  51          3HZ       LYS  51   4.227  14.903   0.703
  362    H    SER  52           H        SER  52   0.368  19.384   1.994
  363    HA   SER  52           HA       SER  52  -1.503  17.459   1.566
  364   1HB   SER  52          2HB       SER  52  -1.520  20.055   2.499
  365   2HB   SER  52          1HB       SER  52  -2.599  20.157   1.114
  366    HG   SER  52           HG       SER  52  -3.697  19.530   3.016
  367    HA   PRO  53           HA       PRO  53  -2.865  17.137  -2.600
  368   1HB   PRO  53          2HB       PRO  53  -5.460  18.548  -2.167
  369   2HB   PRO  53          1HB       PRO  53  -5.157  16.893  -2.730
  370   1HG   PRO  53          2HG       PRO  53  -6.061  17.374  -0.270
  371   2HG   PRO  53          1HG       PRO  53  -4.901  16.070  -0.590
  372   1HD   PRO  53          2HD       PRO  53  -4.407  18.778   0.613
  373   2HD   PRO  53          1HD       PRO  53  -3.702  17.203   1.042
  374    H    ASP  54           H        ASP  54  -1.432  19.597  -1.987
  375    HA   ASP  54           HA       ASP  54  -2.577  21.555  -3.884
  376   1HB   ASP  54          2HB       ASP  54  -1.987  22.372  -1.635
  377   2HB   ASP  54          1HB       ASP  54  -0.322  21.852  -1.890
  378    H    SER  55           H        SER  55   0.624  20.327  -2.948
  379    HA   SER  55           HA       SER  55   1.817  20.990  -5.481
  380   1HB   SER  55          2HB       SER  55   3.229  19.125  -3.648
  381   2HB   SER  55          1HB       SER  55   3.787  20.648  -4.342
  382    HG   SER  55           HG       SER  55   3.166  20.370  -1.936
  383    HA   PRO  56           HA       PRO  56   1.649  17.151  -7.723
  384   1HB   PRO  56          2HB       PRO  56   4.417  16.281  -6.974
  385   2HB   PRO  56          1HB       PRO  56   3.712  16.518  -8.584
  386   1HG   PRO  56          2HG       PRO  56   5.436  18.268  -7.615
  387   2HG   PRO  56          1HG       PRO  56   4.011  18.817  -8.521
  388   1HD   PRO  56          2HD       PRO  56   4.466  18.808  -5.552
  389   2HD   PRO  56          1HD       PRO  56   3.716  20.063  -6.570
  390    H    GLU  57           H        GLU  57   0.776  17.051  -5.011
  391    HA   GLU  57           HA       GLU  57   1.659  14.610  -3.772
  392   1HB   GLU  57          2HB       GLU  57   0.838  16.306  -2.309
  393   2HB   GLU  57          1HB       GLU  57  -0.645  16.499  -3.238
  394   1HG   GLU  57          2HG       GLU  57  -1.435  14.309  -2.559
  395   2HG   GLU  57          1HG       GLU  57   0.117  13.924  -1.821
  396    H    MET  58           H        MET  58  -1.626  15.510  -4.710
  397    HA   MET  58           HA       MET  58  -2.744  13.019  -4.884
  398   1HB   MET  58          2HB       MET  58  -3.362  15.180  -6.892
  399   2HB   MET  58          1HB       MET  58  -4.432  13.937  -6.241
  400   1HG   MET  58          2HG       MET  58  -4.203  14.967  -3.978
  401   2HG   MET  58          1HG       MET  58  -3.231  16.264  -4.685
  402   1HE   MET  58          1HE       MET  58  -6.443  14.223  -5.063
  403   2HE   MET  58          2HE       MET  58  -7.705  15.453  -5.046
  404   3HE   MET  58          3HE       MET  58  -6.692  15.220  -3.624
  405    H    LYS  59           H        LYS  59  -0.664  14.582  -7.328
  406    HA   LYS  59           HA       LYS  59  -1.248  12.554  -9.287
  407   1HB   LYS  59          2HB       LYS  59   0.301  13.621 -10.678
  408   2HB   LYS  59          1HB       LYS  59  -0.351  14.929  -9.713
  409   1HG   LYS  59          2HG       LYS  59   1.869  15.434  -9.439
  410   2HG   LYS  59          1HG       LYS  59   1.745  14.253  -8.153
  411   1HD   LYS  59          2HD       LYS  59   3.616  13.455  -9.297
  412   2HD   LYS  59          1HD       LYS  59   2.333  12.522 -10.067
  413   1HE   LYS  59          2HE       LYS  59   2.209  14.238 -11.871
  414   2HE   LYS  59          1HE       LYS  59   3.555  15.092 -11.119
  415   1HZ   LYS  59          1HZ       LYS  59   4.001  12.271 -11.571
  416   2HZ   LYS  59          2HZ       LYS  59   5.026  13.596 -11.857
  417   3HZ   LYS  59          3HZ       LYS  59   3.822  13.190 -12.985
  418    H    ASP  60           H        ASP  60   0.945  12.897  -6.636
  419    HA   ASP  60           HA       ASP  60   2.579  10.612  -7.402
  420   1HB   ASP  60          2HB       ASP  60   3.521  12.598  -6.228
  421   2HB   ASP  60          1HB       ASP  60   2.549  12.178  -4.818
  422    H    PHE  61           H        PHE  61   0.036  11.427  -5.080
  423    HA   PHE  61           HA       PHE  61   0.083   8.880  -3.768
  424   1HB   PHE  61          2HB       PHE  61  -0.929  10.441  -2.361
  425   2HB   PHE  61          1HB       PHE  61  -1.702  11.298  -3.691
  426    HD1  PHE  61           1HD      PHE  61  -3.990  11.324  -3.078
  427    HD2  PHE  61           2HD      PHE  61  -1.812   7.628  -2.919
  428    HE1  PHE  61           1HE      PHE  61  -6.108  10.097  -2.722
  429    HE2  PHE  61           2HE      PHE  61  -3.932   6.400  -2.562
  430    HZ   PHE  61           HZ       PHE  61  -6.082   7.635  -2.466
  431    H    ARG  62           H        ARG  62  -2.433  10.405  -5.784
  432    HA   ARG  62           HA       ARG  62  -3.979   8.235  -6.328
  433   1HB   ARG  62          2HB       ARG  62  -3.199  10.262  -8.437
  434   2HB   ARG  62          1HB       ARG  62  -4.672   9.301  -8.385
  435   1HG   ARG  62          2HG       ARG  62  -4.039  11.081  -6.034
  436   2HG   ARG  62          1HG       ARG  62  -4.681  11.808  -7.503
  437   1HD   ARG  62          2HD       ARG  62  -6.001   9.417  -6.237
  438   2HD   ARG  62          1HD       ARG  62  -6.332  11.056  -5.678
  439    HE   ARG  62           HE       ARG  62  -7.290   9.858  -8.107
  440   1HH1  ARG  62          1HH2      ARG  62  -6.250  12.798  -6.610
  441   2HH1  ARG  62          2HH2      ARG  62  -7.177  13.822  -7.657
  442   1HH2  ARG  62          1HH1      ARG  62  -8.511  11.194  -9.483
  443   2HH2  ARG  62          2HH1      ARG  62  -8.457  12.912  -9.283
  444    H    HIS  63           H        HIS  63  -0.930   9.082  -8.016
  445    HA   HIS  63           HA       HIS  63  -1.125   6.689  -9.645
  446   1HB   HIS  63          2HB       HIS  63   0.027   8.865 -10.329
  447   2HB   HIS  63          1HB       HIS  63   1.346   8.375  -9.268
  448    HD1  HIS  63           1HD      HIS  63  -0.505   5.708 -11.091
  449    HD2  HIS  63           2HD      HIS  63   3.001   7.908 -11.587
  450    HE1  HIS  63           1HE      HIS  63   0.826   4.537 -12.900
  451    HE2  HIS  63           2HE      HIS  63   2.967   5.867 -13.213
  452    H    GLY  64           H        GLY  64   1.186   7.822  -7.183
  453   1HA   GLY  64          2HA       GLY  64   2.777   5.661  -6.851
  454   2HA   GLY  64          1HA       GLY  64   2.242   6.628  -5.491
  455    H    PHE  65           H        PHE  65  -0.564   5.934  -5.637
  456    HA   PHE  65           HA       PHE  65  -0.385   3.376  -4.295
  457   1HB   PHE  65          2HB       PHE  65  -2.179   4.230  -3.195
  458   2HB   PHE  65          1HB       PHE  65  -2.313   5.550  -4.343
  459    HD1  PHE  65           1HD      PHE  65  -3.409   4.883  -6.673
  460    HD2  PHE  65           2HD      PHE  65  -3.939   2.685  -3.038
  461    HE1  PHE  65           1HE      PHE  65  -5.429   3.887  -7.606
  462    HE2  PHE  65           2HE      PHE  65  -6.005   1.675  -3.975
  463    HZ   PHE  65           HZ       PHE  65  -6.737   2.289  -6.265
  464    H    ASP  66           H        ASP  66  -1.387   4.585  -7.421
  465    HA   ASP  66           HA       ASP  66  -2.635   2.191  -8.327
  466   1HB   ASP  66          2HB       ASP  66  -3.009   4.376  -9.419
  467   2HB   ASP  66          1HB       ASP  66  -1.317   4.418  -9.919
  468    H    ILE  67           H        ILE  67   0.630   3.430  -8.229
  469    HA   ILE  67           HA       ILE  67   1.839   1.529  -9.962
  470    HB   ILE  67           HB       ILE  67   2.966   3.227  -7.711
  471   1HG1  ILE  67          2HG1      ILE  67   2.970   3.517 -10.734
  472   2HG1  ILE  67          1HG1      ILE  67   1.969   4.430  -9.610
  473   1HG2  ILE  67          1HG2      ILE  67   4.361   1.547  -9.834
  474   2HG2  ILE  67          2HG2      ILE  67   4.469   1.331  -8.086
  475   3HG2  ILE  67          3HG2      ILE  67   5.176   2.755  -8.842
  476   1HD1  ILE  67          1HD1      ILE  67   4.300   5.037  -8.504
  477   2HD1  ILE  67          2HD1      ILE  67   3.736   5.913  -9.926
  478   3HD1  ILE  67          3HD1      ILE  67   4.922   4.620 -10.101
  479    H    LEU  68           H        LEU  68   1.893   1.811  -6.429
  480    HA   LEU  68           HA       LEU  68   3.154  -0.604  -5.880
  481   1HB   LEU  68          2HB       LEU  68   1.578   1.373  -4.382
  482   2HB   LEU  68          1HB       LEU  68   1.534  -0.242  -3.677
  483    HG   LEU  68           HG       LEU  68   4.062  -0.296  -3.811
  484   1HD1  LEU  68          1HD1      LEU  68   3.841   2.678  -4.323
  485   2HD1  LEU  68          2HD1      LEU  68   4.135   1.513  -5.612
  486   3HD1  LEU  68          3HD1      LEU  68   5.302   1.689  -4.303
  487   1HD2  LEU  68          1HD2      LEU  68   2.756   1.903  -2.190
  488   2HD2  LEU  68          2HD2      LEU  68   4.418   1.369  -1.958
  489   3HD2  LEU  68          3HD2      LEU  68   3.090   0.246  -1.684
  490    H    VAL  69           H        VAL  69  -0.401  -0.032  -5.824
  491    HA   VAL  69           HA       VAL  69  -1.128  -2.661  -5.235
  492    HB   VAL  69           HB       VAL  69  -3.313  -2.156  -6.129
  493   1HG1  VAL  69          1HG1      VAL  69  -3.516   0.313  -5.151
  494   2HG1  VAL  69          2HG1      VAL  69  -1.867   0.001  -4.615
  495   3HG1  VAL  69          3HG1      VAL  69  -3.176  -1.051  -4.085
  496   1HG2  VAL  69          1HG2      VAL  69  -2.797  -1.221  -8.263
  497   2HG2  VAL  69          2HG2      VAL  69  -1.853   0.078  -7.538
  498   3HG2  VAL  69          3HG2      VAL  69  -3.606   0.057  -7.358
  499    H    GLY  70           H        GLY  70  -0.007  -1.284  -8.236
  500   1HA   GLY  70          2HA       GLY  70  -0.919  -3.461  -9.894
  501   2HA   GLY  70          1HA       GLY  70   0.190  -2.179 -10.370
  502    H    GLN  71           H        GLN  71   2.001  -2.637  -8.131
  503    HA   GLN  71           HA       GLN  71   3.556  -4.794  -9.304
  504   1HB   GLN  71          2HB       GLN  71   4.132  -2.970  -6.955
  505   2HB   GLN  71          1HB       GLN  71   5.277  -4.082  -7.701
  506   1HG   GLN  71          2HG       GLN  71   5.203  -2.888  -9.780
  507   2HG   GLN  71          1HG       GLN  71   3.858  -1.901  -9.222
  508   1HE2  GLN  71          1HE2      GLN  71   4.745  -1.171  -6.651
  509   2HE2  GLN  71          2HE2      GLN  71   6.162  -0.252  -6.796
  510    H    ILE  72           H        ILE  72   2.133  -3.993  -6.168
  511    HA   ILE  72           HA       ILE  72   2.790  -6.128  -4.601
  512    HB   ILE  72           HB       ILE  72   0.288  -4.497  -4.909
  513   1HG1  ILE  72          2HG1      ILE  72   1.880  -4.887  -2.382
  514   2HG1  ILE  72          1HG1      ILE  72   2.540  -3.886  -3.673
  515   1HG2  ILE  72          1HG2      ILE  72  -0.612  -5.629  -2.832
  516   2HG2  ILE  72          2HG2      ILE  72   0.576  -6.904  -3.090
  517   3HG2  ILE  72          3HG2      ILE  72  -0.684  -6.612  -4.290
  518   1HD1  ILE  72          1HD1      ILE  72  -0.241  -3.486  -2.551
  519   2HD1  ILE  72          2HD1      ILE  72   0.656  -2.405  -3.611
  520   3HD1  ILE  72          3HD1      ILE  72   1.175  -2.632  -1.943
  521    H    ASP  73           H        ASP  73   0.134  -6.039  -6.974
  522    HA   ASP  73           HA       ASP  73  -0.623  -8.754  -6.670
  523   1HB   ASP  73          2HB       ASP  73  -2.030  -6.999  -7.764
  524   2HB   ASP  73          1HB       ASP  73  -0.913  -7.009  -9.129
  525    H    ASP  74           H        ASP  74   1.291  -7.133  -9.211
  526    HA   ASP  74           HA       ASP  74   2.110  -9.237 -10.732
  527   1HB   ASP  74          2HB       ASP  74   2.760  -6.753 -10.906
  528   2HB   ASP  74          1HB       ASP  74   4.085  -7.152  -9.813
  529    H    ALA  75           H        ALA  75   3.176  -8.399  -7.500
  530    HA   ALA  75           HA       ALA  75   5.429 -10.117  -7.393
  531   1HB   ALA  75          1HB       ALA  75   5.491  -9.644  -5.086
  532   2HB   ALA  75          2HB       ALA  75   3.751  -9.369  -5.005
  533   3HB   ALA  75          3HB       ALA  75   4.794  -8.191  -5.800
  534    H    LEU  76           H        LEU  76   2.344 -10.513  -5.631
  535    HA   LEU  76           HA       LEU  76   2.638 -13.224  -5.051
  536   1HB   LEU  76          2HB       LEU  76   0.860 -11.843  -4.069
  537   2HB   LEU  76          1HB       LEU  76   0.088 -11.709  -5.645
  538    HG   LEU  76           HG       LEU  76   0.534 -14.542  -5.073
  539   1HD1  LEU  76          1HD1      LEU  76  -1.162 -13.144  -2.986
  540   2HD1  LEU  76          2HD1      LEU  76   0.489 -13.686  -2.684
  541   3HD1  LEU  76          3HD1      LEU  76  -0.765 -14.860  -3.082
  542   1HD2  LEU  76          1HD2      LEU  76  -1.188 -13.595  -6.601
  543   2HD2  LEU  76          2HD2      LEU  76  -2.035 -12.921  -5.208
  544   3HD2  LEU  76          3HD2      LEU  76  -1.893 -14.669  -5.394
  545    H    LYS  77           H        LYS  77   1.076 -11.660  -7.806
  546    HA   LYS  77           HA       LYS  77   0.064 -13.686  -9.302
  547   1HB   LYS  77          2HB       LYS  77   0.237 -11.207  -9.832
  548   2HB   LYS  77          1HB       LYS  77   1.862 -11.520 -10.416
  549   1HG   LYS  77          2HG       LYS  77  -0.504 -13.079 -11.462
  550   2HG   LYS  77          1HG       LYS  77  -0.110 -11.499 -12.117
  551   1HD   LYS  77          2HD       LYS  77   1.485 -12.421 -13.449
  552   2HD   LYS  77          1HD       LYS  77   2.354 -13.001 -12.033
  553   1HE   LYS  77          2HE       LYS  77   1.892 -14.949 -13.301
  554   2HE   LYS  77          1HE       LYS  77   0.667 -14.962 -12.028
  555   1HZ   LYS  77          1HZ       LYS  77  -0.235 -13.450 -14.239
  556   2HZ   LYS  77          2HZ       LYS  77  -0.920 -14.843 -13.546
  557   3HZ   LYS  77          3HZ       LYS  77   0.255 -14.986 -14.766
  558    H    LEU  78           H        LEU  78   3.476 -12.698  -9.259
  559    HA   LEU  78           HA       LEU  78   4.450 -14.687 -10.980
  560   1HB   LEU  78          2HB       LEU  78   5.602 -12.566  -9.899
  561   2HB   LEU  78          1HB       LEU  78   6.114 -13.717  -8.673
  562    HG   LEU  78           HG       LEU  78   7.858 -13.614 -10.327
  563   1HD1  LEU  78          1HD1      LEU  78   6.291 -16.116 -10.982
  564   2HD1  LEU  78          2HD1      LEU  78   7.114 -15.879  -9.439
  565   3HD1  LEU  78          3HD1      LEU  78   8.040 -15.911 -10.939
  566   1HD2  LEU  78          1HD2      LEU  78   6.104 -14.544 -12.580
  567   2HD2  LEU  78          2HD2      LEU  78   7.569 -13.570 -12.621
  568   3HD2  LEU  78          3HD2      LEU  78   6.043 -12.834 -12.148
  569    H    ALA  79           H        ALA  79   4.686 -14.646  -7.411
  570    HA   ALA  79           HA       ALA  79   5.506 -17.338  -7.104
  571   1HB   ALA  79          1HB       ALA  79   5.668 -15.674  -5.294
  572   2HB   ALA  79          2HB       ALA  79   4.746 -17.079  -4.770
  573   3HB   ALA  79          3HB       ALA  79   3.911 -15.588  -5.204
  574    H    ASN  80           H        ASN  80   2.470 -15.946  -7.873
  575    HA   ASN  80           HA       ASN  80   0.861 -18.177  -6.974
  576   1HB   ASN  80          2HB       ASN  80   0.091 -15.737  -7.140
  577   2HB   ASN  80          1HB       ASN  80   0.013 -15.997  -8.882
  578   1HD2  ASN  80          1HD2      ASN  80  -2.338 -15.438  -7.345
  579   2HD2  ASN  80          2HD2      ASN  80  -3.318 -16.824  -7.348
  580    H    GLU  81           H        GLU  81   2.742 -17.279  -9.655
  581    HA   GLU  81           HA       GLU  81   1.379 -18.934 -11.606
  582   1HB   GLU  81          2HB       GLU  81   2.658 -16.770 -12.095
  583   2HB   GLU  81          1HB       GLU  81   4.127 -17.715 -11.877
  584   1HG   GLU  81          2HG       GLU  81   3.635 -17.763 -14.222
  585   2HG   GLU  81          1HG       GLU  81   3.197 -19.347 -13.587
  586    H    GLY  82           H        GLY  82   4.594 -18.970  -9.987
  587   1HA   GLY  82          2HA       GLY  82   4.530 -21.902 -10.095
  588   2HA   GLY  82          1HA       GLY  82   5.860 -21.081 -10.900
  589    H    LYS  83           H        LYS  83   7.429 -20.002  -9.651
  590    HA   LYS  83           HA       LYS  83   7.555 -20.973  -6.872
  591   1HB   LYS  83          2HB       LYS  83   9.252 -21.776  -8.470
  592   2HB   LYS  83          1HB       LYS  83   9.760 -20.123  -8.738
  593   1HG   LYS  83          2HG       LYS  83  11.274 -21.198  -7.150
  594   2HG   LYS  83          1HG       LYS  83  10.389 -19.909  -6.362
  595   1HD   LYS  83          2HD       LYS  83  10.624 -22.059  -5.030
  596   2HD   LYS  83          1HD       LYS  83   8.981 -21.467  -5.190
  597   1HE   LYS  83          2HE       LYS  83   8.420 -23.139  -6.778
  598   2HE   LYS  83          1HE       LYS  83  10.115 -23.477  -7.139
  599   1HZ   LYS  83          1HZ       LYS  83   8.971 -25.141  -5.691
  600   2HZ   LYS  83          2HZ       LYS  83   8.900 -23.952  -4.480
  601   3HZ   LYS  83          3HZ       LYS  83  10.404 -24.498  -5.050
  602    H    VAL  84           H        VAL  84   8.221 -19.774  -5.175
  603    HA   VAL  84           HA       VAL  84   7.599 -16.985  -5.177
  604    HB   VAL  84           HB       VAL  84   8.905 -18.760  -3.098
  605   1HG1  VAL  84          1HG1      VAL  84   8.060 -15.861  -3.050
  606   2HG1  VAL  84          2HG1      VAL  84   9.589 -16.568  -2.527
  607   3HG1  VAL  84          3HG1      VAL  84   8.130 -16.817  -1.568
  608   1HG2  VAL  84          1HG2      VAL  84   6.412 -19.064  -3.883
  609   2HG2  VAL  84          2HG2      VAL  84   6.130 -17.581  -2.969
  610   3HG2  VAL  84          3HG2      VAL  84   6.769 -19.009  -2.158
  611    H    LYS  85           H        LYS  85  10.602 -18.862  -4.940
  612    HA   LYS  85           HA       LYS  85  12.485 -16.933  -4.478
  613   1HB   LYS  85          2HB       LYS  85  12.720 -19.169  -6.507
  614   2HB   LYS  85          1HB       LYS  85  14.061 -18.315  -5.751
  615   1HG   LYS  85          2HG       LYS  85  11.981 -19.701  -4.056
  616   2HG   LYS  85          1HG       LYS  85  13.315 -20.614  -4.754
  617   1HD   LYS  85          2HD       LYS  85  14.903 -18.959  -3.693
  618   2HD   LYS  85          1HD       LYS  85  13.517 -18.257  -2.859
  619   1HE   LYS  85          2HE       LYS  85  13.036 -20.400  -1.784
  620   2HE   LYS  85          1HE       LYS  85  14.354 -21.165  -2.672
  621   1HZ   LYS  85          1HZ       LYS  85  14.447 -19.421  -0.362
  622   2HZ   LYS  85          2HZ       LYS  85  15.611 -19.094  -1.554
  623   3HZ   LYS  85          3HZ       LYS  85  15.524 -20.638  -0.849
  624    H    GLU  86           H        GLU  86  10.778 -17.586  -7.486
  625    HA   GLU  86           HA       GLU  86  12.322 -15.711  -9.046
  626   1HB   GLU  86          2HB       GLU  86   9.626 -16.982  -9.603
  627   2HB   GLU  86          1HB       GLU  86  10.600 -16.089 -10.772
  628   1HG   GLU  86          2HG       GLU  86  12.425 -17.726 -10.501
  629   2HG   GLU  86          1HG       GLU  86  11.446 -18.613  -9.337
  630    H    ALA  87           H        ALA  87   9.489 -15.719  -7.092
  631    HA   ALA  87           HA       ALA  87   8.554 -13.107  -7.926
  632   1HB   ALA  87          1HB       ALA  87   7.112 -15.037  -7.012
  633   2HB   ALA  87          2HB       ALA  87   6.786 -13.416  -6.399
  634   3HB   ALA  87          3HB       ALA  87   7.711 -14.557  -5.424
  635    H    GLN  88           H        GLN  88  10.009 -14.506  -4.974
  636    HA   GLN  88           HA       GLN  88  10.256 -12.208  -3.454
  637   1HB   GLN  88          2HB       GLN  88  11.589 -13.479  -2.073
  638   2HB   GLN  88          1HB       GLN  88  10.992 -14.779  -3.092
  639   1HG   GLN  88          2HG       GLN  88  13.296 -15.178  -3.101
  640   2HG   GLN  88          1HG       GLN  88  13.096 -14.238  -4.568
  641   1HE2  GLN  88          1HE2      GLN  88  12.550 -11.830  -2.746
  642   2HE2  GLN  88          2HE2      GLN  88  14.091 -11.312  -2.276
  643    H    ALA  89           H        ALA  89  12.108 -13.288  -6.206
  644    HA   ALA  89           HA       ALA  89  14.074 -11.181  -6.028
  645   1HB   ALA  89          1HB       ALA  89  14.761 -11.953  -8.257
  646   2HB   ALA  89          2HB       ALA  89  13.323 -12.969  -8.362
  647   3HB   ALA  89          3HB       ALA  89  14.572 -13.328  -7.170
  648    H    ALA  90           H        ALA  90  11.046 -11.850  -7.727
  649    HA   ALA  90           HA       ALA  90  11.091  -9.470  -9.318
  650   1HB   ALA  90          1HB       ALA  90   8.554 -10.826  -8.420
  651   2HB   ALA  90          2HB       ALA  90   9.622 -11.605  -9.588
  652   3HB   ALA  90          3HB       ALA  90   8.907 -10.036  -9.958
  653    H    ALA  91           H        ALA  91  10.597 -10.091  -6.017
  654    HA   ALA  91           HA       ALA  91   8.860  -7.850  -5.479
  655   1HB   ALA  91          1HB       ALA  91  10.544  -9.360  -3.484
  656   2HB   ALA  91          2HB       ALA  91   9.007  -9.974  -4.093
  657   3HB   ALA  91          3HB       ALA  91   9.056  -8.461  -3.188
  658    H    GLU  92           H        GLU  92  12.249  -8.587  -4.601
  659    HA   GLU  92           HA       GLU  92  12.909  -6.134  -3.525
  660   1HB   GLU  92          2HB       GLU  92  15.151  -6.767  -3.703
  661   2HB   GLU  92          1HB       GLU  92  14.314  -8.316  -3.737
  662   1HG   GLU  92          2HG       GLU  92  15.757  -8.561  -5.552
  663   2HG   GLU  92          1HG       GLU  92  14.319  -7.936  -6.350
  664    H    GLN  93           H        GLN  93  12.620  -7.018  -6.940
  665    HA   GLN  93           HA       GLN  93  13.915  -4.718  -7.960
  666   1HB   GLN  93          2HB       GLN  93  13.258  -5.443 -10.053
  667   2HB   GLN  93          1HB       GLN  93  13.053  -6.937  -9.148
  668   1HG   GLN  93          2HG       GLN  93  11.006  -6.831 -10.243
  669   2HG   GLN  93          1HG       GLN  93  10.608  -5.995  -8.750
  670   1HE2  GLN  93          1HE2      GLN  93   9.041  -5.396 -10.960
  671   2HE2  GLN  93          2HE2      GLN  93   9.417  -3.848 -11.545
  672    H    LEU  94           H        LEU  94  10.972  -5.134  -6.326
  673    HA   LEU  94           HA       LEU  94   9.664  -2.770  -7.407
  674   1HB   LEU  94          2HB       LEU  94   8.972  -4.317  -4.892
  675   2HB   LEU  94          1HB       LEU  94   7.946  -3.180  -5.759
  676    HG   LEU  94           HG       LEU  94   8.936  -5.853  -6.805
  677   1HD1  LEU  94          1HD1      LEU  94   6.286  -4.833  -5.767
  678   2HD1  LEU  94          2HD1      LEU  94   7.156  -6.293  -5.315
  679   3HD1  LEU  94          3HD1      LEU  94   6.361  -6.194  -6.884
  680   1HD2  LEU  94          1HD2      LEU  94   7.198  -5.183  -8.662
  681   2HD2  LEU  94          2HD2      LEU  94   8.821  -4.504  -8.730
  682   3HD2  LEU  94          3HD2      LEU  94   7.492  -3.536  -8.101
  683    H    LYS  95           H        LYS  95  11.312  -3.781  -4.453
  684    HA   LYS  95           HA       LYS  95  11.097  -1.526  -2.891
  685   1HB   LYS  95          2HB       LYS  95  13.489  -3.338  -3.303
  686   2HB   LYS  95          1HB       LYS  95  13.412  -2.109  -2.044
  687   1HG   LYS  95          2HG       LYS  95  11.282  -4.243  -2.349
  688   2HG   LYS  95          1HG       LYS  95  12.728  -4.497  -1.379
  689   1HD   LYS  95          2HD       LYS  95  11.548  -1.929  -0.659
  690   2HD   LYS  95          1HD       LYS  95  10.312  -3.179  -0.581
  691   1HE   LYS  95          2HE       LYS  95  11.692  -4.511   0.921
  692   2HE   LYS  95          1HE       LYS  95  13.030  -3.375   0.750
  693   1HZ   LYS  95          1HZ       LYS  95  11.134  -3.265   2.670
  694   2HZ   LYS  95          2HZ       LYS  95  10.550  -2.144   1.535
  695   3HZ   LYS  95          3HZ       LYS  95  12.108  -1.961   2.190
  696    H    THR  96           H        THR  96  13.181  -2.117  -5.651
  697    HA   THR  96           HA       THR  96  14.645   0.328  -5.474
  698    HB   THR  96           HB       THR  96  14.134  -1.228  -7.995
  699    HG1  THR  96           1HG      THR  96  14.808  -2.473  -6.023
  700   1HG2  THR  96          1HG2      THR  96  16.541   0.300  -6.969
  701   2HG2  THR  96          2HG2      THR  96  15.374   0.915  -8.141
  702   3HG2  THR  96          3HG2      THR  96  16.395  -0.464  -8.553
  703    H    THR  97           H        THR  97  11.795  -0.757  -7.287
  704    HA   THR  97           HA       THR  97  11.413   1.544  -8.839
  705    HB   THR  97           HB       THR  97   9.240  -0.261  -7.757
  706    HG1  THR  97           1HG      THR  97   9.905  -1.705  -9.127
  707   1HG2  THR  97          1HG2      THR  97   8.243   1.608  -8.825
  708   2HG2  THR  97          2HG2      THR  97   8.270   0.350 -10.061
  709   3HG2  THR  97          3HG2      THR  97   9.467   1.641 -10.094
  710    H    ILE  98           H        ILE  98   9.850   0.684  -5.708
  711    HA   ILE  98           HA       ILE  98   8.475   3.132  -5.487
  712    HB   ILE  98           HB       ILE  98   7.897   2.521  -3.316
  713   1HG1  ILE  98          2HG1      ILE  98  10.554   1.064  -3.125
  714   2HG1  ILE  98          1HG1      ILE  98  10.117   2.552  -2.282
  715   1HG2  ILE  98          1HG2      ILE  98   8.785  -0.194  -4.276
  716   2HG2  ILE  98          2HG2      ILE  98   7.506   0.688  -5.108
  717   3HG2  ILE  98          3HG2      ILE  98   7.315   0.245  -3.412
  718   1HD1  ILE  98          1HD1      ILE  98   8.190   1.213  -1.251
  719   2HD1  ILE  98          2HD1      ILE  98   9.811   0.805  -0.690
  720   3HD1  ILE  98          3HD1      ILE  98   8.999  -0.229  -1.865
  721    H    ARG  99           H        ARG  99  11.800   2.232  -4.923
  722    HA   ARG  99           HA       ARG  99  12.409   4.478  -3.286
  723   1HB   ARG  99          2HB       ARG  99  13.996   2.387  -4.644
  724   2HB   ARG  99          1HB       ARG  99  14.825   3.931  -4.545
  725   1HG   ARG  99          2HG       ARG  99  13.611   2.423  -2.202
  726   2HG   ARG  99          1HG       ARG  99  15.327   2.528  -2.580
  727   1HD   ARG  99          2HD       ARG  99  14.660   5.195  -2.515
  728   2HD   ARG  99          1HD       ARG  99  13.556   4.546  -1.309
  729    HE   ARG  99           HE       ARG  99  16.071   3.458  -0.773
  730   1HH1  ARG  99          1HH2      ARG  99  14.519   6.544  -0.940
  731   2HH1  ARG  99          2HH2      ARG  99  15.536   7.277   0.256
  732   1HH2  ARG  99          1HH1      ARG  99  17.414   4.412   0.796
  733   2HH2  ARG  99          2HH1      ARG  99  17.174   6.070   1.238
  734    H    ALA 100           H        ALA 100  11.755   4.101  -6.589
  735    HA   ALA 100           HA       ALA 100  13.110   6.503  -7.466
  736   1HB   ALA 100          1HB       ALA 100  10.732   5.142  -8.772
  737   2HB   ALA 100          2HB       ALA 100  12.390   4.584  -8.995
  738   3HB   ALA 100          3HB       ALA 100  11.923   6.196  -9.535
  739    H    TYR 101           H        TYR 101   9.867   5.542  -6.390
  740    HA   TYR 101           HA       TYR 101   8.834   8.222  -6.639
  741   1HB   TYR 101          2HB       TYR 101   6.985   6.871  -6.719
  742   2HB   TYR 101          1HB       TYR 101   7.782   5.574  -5.835
  743    HD1  TYR 101           1HD      TYR 101   6.445   9.061  -5.246
  744    HD2  TYR 101           2HD      TYR 101   7.027   5.095  -3.674
  745    HE1  TYR 101           1HE      TYR 101   5.234   9.694  -3.177
  746    HE2  TYR 101           2HE      TYR 101   5.803   5.734  -1.617
  747    HH   TYR 101           HH       TYR 101   3.919   7.645  -1.115
  748    H    ASN 102           H        ASN 102  10.114   6.185  -4.034
  749    HA   ASN 102           HA       ASN 102   9.594   8.041  -1.939
  750   1HB   ASN 102          2HB       ASN 102  10.352   5.479  -1.891
  751   2HB   ASN 102          1HB       ASN 102  11.961   6.190  -1.802
  752   1HD2  ASN 102          1HD2      ASN 102   8.830   6.018  -0.122
  753   2HD2  ASN 102          2HD2      ASN 102   9.424   6.557   1.371
  754    H    GLN 103           H        GLN 103  12.471   7.422  -3.928
  755    HA   GLN 103           HA       GLN 103  13.994   9.507  -2.701
  756   1HB   GLN 103          2HB       GLN 103  14.946   7.509  -3.895
  757   2HB   GLN 103          1HB       GLN 103  14.401   8.250  -5.400
  758   1HG   GLN 103          2HG       GLN 103  15.944  10.000  -5.271
  759   2HG   GLN 103          1HG       GLN 103  16.115   9.864  -3.523
  760   1HE2  GLN 103          1HE2      GLN 103  16.347   7.187  -5.901
  761   2HE2  GLN 103          2HE2      GLN 103  17.964   6.815  -5.545
  762    H    LYS 104           H        LYS 104  12.170   9.227  -5.753
  763    HA   LYS 104           HA       LYS 104  12.888  11.675  -6.864
  764   1HB   LYS 104          2HB       LYS 104  11.565  10.203  -8.214
  765   2HB   LYS 104          1HB       LYS 104  10.252  10.207  -7.036
  766   1HG   LYS 104          2HG       LYS 104   9.477  12.312  -7.668
  767   2HG   LYS 104          1HG       LYS 104  11.080  12.870  -8.145
  768   1HD   LYS 104          2HD       LYS 104  10.990  11.544 -10.188
  769   2HD   LYS 104          1HD       LYS 104   9.463  10.816  -9.688
  770   1HE   LYS 104          2HE       LYS 104   8.949  12.586 -11.249
  771   2HE   LYS 104          1HE       LYS 104   8.466  13.133  -9.644
  772   1HZ   LYS 104          1HZ       LYS 104  10.254  14.557  -9.493
  773   2HZ   LYS 104          2HZ       LYS 104   9.850  14.687 -11.138
  774   3HZ   LYS 104          3HZ       LYS 104  11.166  13.727 -10.658
  775    H    TYR 105           H        TYR 105  10.134  10.913  -4.802
  776    HA   TYR 105           HA       TYR 105   9.493  13.721  -4.445
  777   1HB   TYR 105          2HB       TYR 105   8.178  11.140  -3.615
  778   2HB   TYR 105          1HB       TYR 105   7.529  12.736  -3.247
  779    HD1  TYR 105           1HD      TYR 105   6.777  14.186  -5.008
  780    HD2  TYR 105           2HD      TYR 105   8.205  10.300  -5.928
  781    HE1  TYR 105           1HE      TYR 105   5.821  14.381  -7.290
  782    HE2  TYR 105           2HE      TYR 105   7.233  10.442  -8.194
  783    HH   TYR 105           HH       TYR 105   6.353  11.876  -9.718
  784    H    GLY 106           H        GLY 106  11.133  11.196  -2.697
  785   1HA   GLY 106          2HA       GLY 106  10.856  12.713  -0.162
  786   2HA   GLY 106          1HA       GLY 106  11.364  11.049  -0.287
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1  10.291 -25.562 -24.688
    2   2H    ALA   1          2HT       ALA   1   9.179 -24.380 -25.190
    3   3H    ALA   1          3HT       ALA   1   8.763 -25.474 -23.959
    4    HA   ALA   1           HA       ALA   1  11.157 -24.021 -23.365
    5   1HB   ALA   1          1HB       ALA   1   8.546 -22.513 -23.704
    6   2HB   ALA   1          2HB       ALA   1  10.009 -22.271 -24.659
    7   3HB   ALA   1          3HB       ALA   1  10.000 -21.872 -22.941
    8    H    ASP   2           H        ASP   2  11.186 -23.581 -21.108
    9    HA   ASP   2           HA       ASP   2   9.534 -25.371 -19.561
   10   1HB   ASP   2          2HB       ASP   2  11.586 -23.346 -18.639
   11   2HB   ASP   2          1HB       ASP   2  10.902 -24.651 -17.672
   12    H    LEU   3           H        LEU   3   8.588 -24.520 -17.446
   13    HA   LEU   3           HA       LEU   3   7.660 -21.803 -17.407
   14   1HB   LEU   3          2HB       LEU   3   5.171 -22.659 -17.440
   15   2HB   LEU   3          1HB       LEU   3   6.005 -22.332 -18.955
   16    HG   LEU   3           HG       LEU   3   6.612 -24.764 -19.092
   17   1HD1  LEU   3          1HD1      LEU   3   5.164 -26.266 -17.604
   18   2HD1  LEU   3          2HD1      LEU   3   4.898 -24.839 -16.606
   19   3HD1  LEU   3          3HD1      LEU   3   6.530 -25.476 -16.817
   20   1HD2  LEU   3          1HD2      LEU   3   3.655 -24.141 -18.825
   21   2HD2  LEU   3          2HD2      LEU   3   4.338 -25.512 -19.701
   22   3HD2  LEU   3          3HD2      LEU   3   4.636 -23.867 -20.264
   23    H    GLU   4           H        GLU   4   8.876 -24.136 -15.818
   24    HA   GLU   4           HA       GLU   4   7.436 -23.541 -13.322
   25   1HB   GLU   4          2HB       GLU   4   7.793 -26.261 -14.552
   26   2HB   GLU   4          1HB       GLU   4   7.848 -26.111 -12.797
   27   1HG   GLU   4          2HG       GLU   4   5.598 -24.890 -14.395
   28   2HG   GLU   4          1HG       GLU   4   5.547 -26.577 -13.892
   29    H    ASP   5           H        ASP   5  10.276 -24.784 -14.992
   30    HA   ASP   5           HA       ASP   5  11.893 -24.893 -12.599
   31   1HB   ASP   5          2HB       ASP   5  12.303 -26.364 -14.570
   32   2HB   ASP   5          1HB       ASP   5  12.768 -24.938 -15.496
   33    H    ASN   6           H        ASN   6  12.687 -23.153 -11.621
   34    HA   ASN   6           HA       ASN   6  13.928 -21.024 -13.140
   35   1HB   ASN   6          2HB       ASN   6  12.541 -19.235 -12.126
   36   2HB   ASN   6          1HB       ASN   6  11.616 -20.269 -13.213
   37   1HD2  ASN   6          1HD2      ASN   6   9.550 -20.243 -12.228
   38   2HD2  ASN   6          2HD2      ASN   6   9.268 -20.713 -10.621
   39    H    ASP   7           H        ASP   7  14.202 -19.112 -11.245
   40    HA   ASP   7           HA       ASP   7  16.141 -20.232  -9.496
   41   1HB   ASP   7          2HB       ASP   7  14.821 -17.511  -9.368
   42   2HB   ASP   7          1HB       ASP   7  16.329 -17.977  -8.581
   43    H    GLU   8           H        GLU   8  14.837 -21.884  -8.438
   44    HA   GLU   8           HA       GLU   8  13.558 -22.722  -6.719
   45   1HB   GLU   8          2HB       GLU   8  14.505 -20.142  -5.444
   46   2HB   GLU   8          1HB       GLU   8  13.803 -21.506  -4.572
   47   1HG   GLU   8          2HG       GLU   8  15.614 -22.966  -5.375
   48   2HG   GLU   8          1HG       GLU   8  16.312 -21.617  -6.269
   49    H    THR   9           H        THR   9  12.616 -19.964  -5.082
   50    HA   THR   9           HA       THR   9  10.280 -19.324  -6.668
   51    HB   THR   9           HB       THR   9   9.867 -20.629  -3.972
   52    HG1  THR   9           1HG      THR   9   9.430 -21.660  -6.577
   53   1HG2  THR   9          1HG2      THR   9   8.145 -19.012  -4.619
   54   2HG2  THR   9          2HG2      THR   9   7.503 -20.651  -4.726
   55   3HG2  THR   9          3HG2      THR   9   7.980 -19.793  -6.191
   56    H    GLY  10           H        GLY  10  12.112 -19.046  -3.684
   57   1HA   GLY  10          2HA       GLY  10  12.379 -16.367  -3.510
   58   2HA   GLY  10          1HA       GLY  10  10.765 -16.615  -2.849
   59    H    ASN  11           H        ASN  11  12.482 -19.366  -2.227
   60    HA   ASN  11           HA       ASN  11  13.941 -18.493   0.095
   61   1HB   ASN  11          2HB       ASN  11  11.590 -18.486   0.906
   62   2HB   ASN  11          1HB       ASN  11  11.447 -20.182   0.450
   63   1HD2  ASN  11          1HD2      ASN  11  14.513 -20.240   1.340
   64   2HD2  ASN  11          2HD2      ASN  11  14.384 -20.478   3.015
   65    H    ASP  12           H        ASP  12  12.634 -21.529   0.623
   66    HA   ASP  12           HA       ASP  12  13.452 -23.664   0.451
   67   1HB   ASP  12          2HB       ASP  12  13.010 -23.168  -1.988
   68   2HB   ASP  12          1HB       ASP  12  14.716 -22.748  -2.137
   69    H    ASN  13           H        ASN  13  15.360 -21.029   0.901
   70    HA   ASN  13           HA       ASN  13  17.883 -22.568   1.100
   71   1HB   ASN  13          2HB       ASN  13  17.866 -20.427  -0.224
   72   2HB   ASN  13          1HB       ASN  13  17.507 -19.572   1.274
   73   1HD2  ASN  13          1HD2      ASN  13  19.131 -20.492   3.167
   74   2HD2  ASN  13          2HD2      ASN  13  20.763 -20.470   2.702
   75    H    GLY  14           H        GLY  14  15.991 -20.120   2.893
   76   1HA   GLY  14          2HA       GLY  14  15.548 -21.088   5.287
   77   2HA   GLY  14          1HA       GLY  14  17.300 -20.934   5.401
   78    H    LYS  15           H        LYS  15  16.516 -19.485   7.232
   79    HA   LYS  15           HA       LYS  15  16.703 -16.736   6.336
   80   1HB   LYS  15          2HB       LYS  15  14.672 -16.001   7.530
   81   2HB   LYS  15          1HB       LYS  15  14.280 -17.115   6.227
   82   1HG   LYS  15          2HG       LYS  15  14.371 -18.981   7.989
   83   2HG   LYS  15          1HG       LYS  15  14.373 -17.697   9.193
   84   1HD   LYS  15          2HD       LYS  15  12.086 -18.081   9.025
   85   2HD   LYS  15          1HD       LYS  15  12.273 -16.823   7.806
   86   1HE   LYS  15          2HE       LYS  15  10.962 -18.593   6.822
   87   2HE   LYS  15          1HE       LYS  15  12.562 -18.667   6.088
   88   1HZ   LYS  15          1HZ       LYS  15  11.312 -20.482   8.012
   89   2HZ   LYS  15          2HZ       LYS  15  12.995 -20.270   8.095
   90   3HZ   LYS  15          3HZ       LYS  15  12.277 -20.835   6.663
   91    H    GLY  16           H        GLY  16  15.562 -15.977   9.063
   92   1HA   GLY  16          2HA       GLY  16  18.070 -16.328  10.532
   93   2HA   GLY  16          1HA       GLY  16  16.765 -15.216  10.935
   94    H    GLY  17           H        GLY  17  15.237 -15.817  12.379
   95   1HA   GLY  17          2HA       GLY  17  14.097 -18.152  13.032
   96   2HA   GLY  17          1HA       GLY  17  15.660 -18.312  13.826
   97    H    GLU  18           H        GLU  18  13.271 -15.670  13.429
   98    HA   GLU  18           HA       GLU  18  12.749 -15.578  16.257
   99   1HB   GLU  18          2HB       GLU  18  13.600 -13.042  16.225
  100   2HB   GLU  18          1HB       GLU  18  14.688 -14.368  16.630
  101   1HG   GLU  18          2HG       GLU  18  15.622 -12.764  14.931
  102   2HG   GLU  18          1HG       GLU  18  15.561 -14.438  14.384
  103    H    LYS  19           H        LYS  19  10.672 -15.913  15.112
  104    HA   LYS  19           HA       LYS  19   9.337 -13.342  14.713
  105   1HB   LYS  19          2HB       LYS  19   8.222 -14.259  12.621
  106   2HB   LYS  19          1HB       LYS  19   9.899 -13.755  12.441
  107   1HG   LYS  19          2HG       LYS  19   9.468 -16.615  13.219
  108   2HG   LYS  19          1HG       LYS  19   8.974 -16.178  11.585
  109   1HD   LYS  19          2HD       LYS  19  11.144 -15.596  10.929
  110   2HD   LYS  19          1HD       LYS  19  11.681 -15.315  12.583
  111   1HE   LYS  19          2HE       LYS  19  12.518 -17.463  11.445
  112   2HE   LYS  19          1HE       LYS  19  11.813 -17.638  13.053
  113   1HZ   LYS  19          1HZ       LYS  19  10.508 -19.150  12.092
  114   2HZ   LYS  19          2HZ       LYS  19  10.873 -18.622  10.518
  115   3HZ   LYS  19          3HZ       LYS  19   9.667 -17.839  11.422
  116    H    ALA  20           H        ALA  20   7.673 -15.936  13.336
  117    HA   ALA  20           HA       ALA  20   6.420 -16.787  15.861
  118   1HB   ALA  20          1HB       ALA  20   4.871 -15.672  13.509
  119   2HB   ALA  20          2HB       ALA  20   5.073 -14.885  15.073
  120   3HB   ALA  20          3HB       ALA  20   4.173 -16.397  14.958
  121    H    ASP  21           H        ASP  21   4.646 -17.376  12.990
  122    HA   ASP  21           HA       ASP  21   6.029 -19.891  12.401
  123   1HB   ASP  21          2HB       ASP  21   4.505 -20.522  14.196
  124   2HB   ASP  21          1HB       ASP  21   3.156 -19.769  13.348
  125    H    ASN  22           H        ASN  22   2.670 -19.187  11.715
  126    HA   ASN  22           HA       ASN  22   3.343 -18.904   8.837
  127   1HB   ASN  22          2HB       ASN  22   1.004 -19.791   8.509
  128   2HB   ASN  22          1HB       ASN  22   2.152 -20.931   9.210
  129   1HD2  ASN  22          1HD2      ASN  22  -0.915 -20.593   9.522
  130   2HD2  ASN  22          2HD2      ASN  22  -1.142 -20.584  11.205
  131    H    ALA  23           H        ALA  23   0.105 -18.505   9.429
  132    HA   ALA  23           HA       ALA  23  -0.270 -16.008   8.422
  133   1HB   ALA  23          1HB       ALA  23  -2.184 -17.344   8.869
  134   2HB   ALA  23          2HB       ALA  23  -2.346 -15.938   9.920
  135   3HB   ALA  23          3HB       ALA  23  -1.785 -17.474  10.581
  136    H    ALA  24           H        ALA  24   0.914 -16.832  11.595
  137    HA   ALA  24           HA       ALA  24   0.417 -14.366  12.888
  138   1HB   ALA  24          1HB       ALA  24   2.456 -16.538  13.373
  139   2HB   ALA  24          2HB       ALA  24   0.945 -16.258  14.239
  140   3HB   ALA  24          3HB       ALA  24   2.286 -15.126  14.417
  141    H    GLN  25           H        GLN  25   3.490 -15.614  11.522
  142    HA   GLN  25           HA       GLN  25   4.848 -13.156  11.809
  143   1HB   GLN  25          2HB       GLN  25   6.666 -14.236  10.893
  144   2HB   GLN  25          1HB       GLN  25   5.696 -15.642  11.313
  145   1HG   GLN  25          2HG       GLN  25   4.811 -15.678   8.975
  146   2HG   GLN  25          1HG       GLN  25   5.877 -14.331   8.574
  147   1HE2  GLN  25          1HE2      GLN  25   6.172 -17.578  10.157
  148   2HE2  GLN  25          2HE2      GLN  25   7.640 -17.955   9.393
  149    H    VAL  26           H        VAL  26   2.845 -14.452   9.234
  150    HA   VAL  26           HA       VAL  26   3.582 -12.455   7.322
  151    HB   VAL  26           HB       VAL  26   1.546 -14.648   7.494
  152   1HG1  VAL  26          1HG1      VAL  26   1.312 -12.273   5.641
  153   2HG1  VAL  26          2HG1      VAL  26   0.082 -12.906   6.736
  154   3HG1  VAL  26          3HG1      VAL  26   0.555 -13.829   5.307
  155   1HG2  VAL  26          1HG2      VAL  26   2.496 -15.090   5.197
  156   2HG2  VAL  26          2HG2      VAL  26   3.698 -15.128   6.478
  157   3HG2  VAL  26          3HG2      VAL  26   3.572 -13.721   5.424
  158    H    LYS  27           H        LYS  27   0.594 -12.923   9.230
  159    HA   LYS  27           HA       LYS  27  -0.801 -10.677   8.563
  160   1HB   LYS  27          2HB       LYS  27  -0.451 -12.076  11.200
  161   2HB   LYS  27          1HB       LYS  27  -1.485 -10.654  11.073
  162   1HG   LYS  27          2HG       LYS  27  -2.938 -11.712   9.536
  163   2HG   LYS  27          1HG       LYS  27  -1.783 -12.994   9.188
  164   1HD   LYS  27          2HD       LYS  27  -3.554 -13.851  10.649
  165   2HD   LYS  27          1HD       LYS  27  -2.024 -13.815  11.524
  166   1HE   LYS  27          2HE       LYS  27  -4.041 -12.905  12.792
  167   2HE   LYS  27          1HE       LYS  27  -2.644 -11.835  12.715
  168   1HZ   LYS  27          1HZ       LYS  27  -3.751 -10.361  11.476
  169   2HZ   LYS  27          2HZ       LYS  27  -5.153 -11.156  12.011
  170   3HZ   LYS  27          3HZ       LYS  27  -4.471 -11.551  10.506
  171    H    ASP  28           H        ASP  28   1.845 -10.843  10.946
  172    HA   ASP  28           HA       ASP  28   1.764  -8.122  11.707
  173   1HB   ASP  28          2HB       ASP  28   4.121 -10.027  11.643
  174   2HB   ASP  28          1HB       ASP  28   4.066  -8.495  12.513
  175    H    ALA  29           H        ALA  29   3.144  -9.798   8.987
  176    HA   ALA  29           HA       ALA  29   4.822  -7.647   8.095
  177   1HB   ALA  29          1HB       ALA  29   3.783  -9.880   6.359
  178   2HB   ALA  29          2HB       ALA  29   5.037 -10.163   7.567
  179   3HB   ALA  29          3HB       ALA  29   5.322  -9.024   6.250
  180    H    LEU  30           H        LEU  30   1.457  -8.336   7.871
  181    HA   LEU  30           HA       LEU  30   1.018  -6.811   5.433
  182   1HB   LEU  30          2HB       LEU  30  -0.705  -8.282   7.403
  183   2HB   LEU  30          1HB       LEU  30  -1.468  -7.042   6.418
  184    HG   LEU  30           HG       LEU  30  -0.455  -8.219   4.382
  185   1HD1  LEU  30          1HD1      LEU  30   0.303 -10.467   4.606
  186   2HD1  LEU  30          2HD1      LEU  30  -0.199 -10.553   6.294
  187   3HD1  LEU  30          3HD1      LEU  30   1.186  -9.567   5.834
  188   1HD2  LEU  30          1HD2      LEU  30  -2.472  -9.612   6.157
  189   2HD2  LEU  30          2HD2      LEU  30  -2.201 -10.032   4.467
  190   3HD2  LEU  30          3HD2      LEU  30  -2.809  -8.432   4.893
  191    H    THR  31           H        THR  31   0.261  -6.356   8.897
  192    HA   THR  31           HA       THR  31  -0.740  -3.730   8.604
  193    HB   THR  31           HB       THR  31  -1.124  -5.062  10.623
  194    HG1  THR  31           1HG      THR  31  -0.310  -3.354  12.123
  195   1HG2  THR  31          1HG2      THR  31   1.161  -6.111  10.620
  196   2HG2  THR  31          2HG2      THR  31   0.659  -5.501  12.199
  197   3HG2  THR  31          3HG2      THR  31   1.802  -4.580  11.220
  198    H    LYS  32           H        LYS  32   2.467  -5.037   8.703
  199    HA   LYS  32           HA       LYS  32   3.952  -2.831   9.527
  200   1HB   LYS  32          2HB       LYS  32   4.579  -5.320   8.536
  201   2HB   LYS  32          1HB       LYS  32   5.075  -4.300   7.190
  202   1HG   LYS  32          2HG       LYS  32   6.247  -2.864   9.067
  203   2HG   LYS  32          1HG       LYS  32   6.099  -4.335  10.025
  204   1HD   LYS  32          2HD       LYS  32   8.186  -4.674   9.044
  205   2HD   LYS  32          1HD       LYS  32   7.146  -5.485   7.875
  206   1HE   LYS  32          2HE       LYS  32   8.473  -4.128   6.498
  207   2HE   LYS  32          1HE       LYS  32   7.044  -3.119   6.727
  208   1HZ   LYS  32          1HZ       LYS  32   9.672  -2.510   7.376
  209   2HZ   LYS  32          2HZ       LYS  32   8.851  -2.707   8.851
  210   3HZ   LYS  32          3HZ       LYS  32   8.286  -1.589   7.703
  211    H    MET  33           H        MET  33   3.147  -3.730   6.154
  212    HA   MET  33           HA       MET  33   3.947  -1.366   4.931
  213   1HB   MET  33          2HB       MET  33   1.450  -2.611   3.887
  214   2HB   MET  33          1HB       MET  33   2.963  -2.265   3.053
  215   1HG   MET  33          2HG       MET  33   2.354  -4.603   4.882
  216   2HG   MET  33          1HG       MET  33   2.765  -4.652   3.184
  217   1HE   MET  33          1HE       MET  33   4.711  -3.586   2.227
  218   2HE   MET  33          2HE       MET  33   6.343  -3.676   2.884
  219   3HE   MET  33          3HE       MET  33   5.316  -2.301   3.281
  220    H    ARG  34           H        ARG  34   0.601  -2.243   5.857
  221    HA   ARG  34           HA       ARG  34  -0.824   0.009   5.536
  222   1HB   ARG  34          2HB       ARG  34  -1.508  -2.125   6.738
  223   2HB   ARG  34          1HB       ARG  34  -0.802  -1.423   8.191
  224   1HG   ARG  34          2HG       ARG  34  -2.315   0.470   8.081
  225   2HG   ARG  34          1HG       ARG  34  -2.955  -0.091   6.535
  226   1HD   ARG  34          2HD       ARG  34  -4.030  -1.950   7.515
  227   2HD   ARG  34          1HD       ARG  34  -3.057  -1.858   8.985
  228    HE   ARG  34           HE       ARG  34  -4.695   0.483   8.540
  229   1HH1  ARG  34          1HH2      ARG  34  -4.543  -2.739   9.792
  230   2HH1  ARG  34          2HH2      ARG  34  -5.829  -2.506  10.928
  231   1HH2  ARG  34          1HH1      ARG  34  -6.380   0.797  10.026
  232   2HH2  ARG  34          2HH1      ARG  34  -6.869  -0.503  11.060
  233    H    ALA  35           H        ALA  35   0.898  -0.490   8.627
  234    HA   ALA  35           HA       ALA  35   0.610   2.118   9.576
  235   1HB   ALA  35          1HB       ALA  35   2.892   0.200  10.104
  236   2HB   ALA  35          2HB       ALA  35   1.356   0.223  10.969
  237   3HB   ALA  35          3HB       ALA  35   2.459   1.592  11.096
  238    H    ALA  36           H        ALA  36   2.908   0.782   7.303
  239    HA   ALA  36           HA       ALA  36   4.763   2.950   7.386
  240   1HB   ALA  36          1HB       ALA  36   5.073   0.541   6.433
  241   2HB   ALA  36          2HB       ALA  36   5.859   1.888   5.612
  242   3HB   ALA  36          3HB       ALA  36   4.368   1.210   4.961
  243    H    ALA  37           H        ALA  37   2.194   2.052   5.083
  244    HA   ALA  37           HA       ALA  37   2.397   4.309   3.431
  245   1HB   ALA  37          1HB       ALA  37   0.987   2.084   3.219
  246   2HB   ALA  37          2HB       ALA  37   0.427   3.563   2.441
  247   3HB   ALA  37          3HB       ALA  37  -0.277   3.049   3.974
  248    H    LEU  38           H        LEU  38   0.395   3.687   6.290
  249    HA   LEU  38           HA       LEU  38  -0.985   6.151   6.313
  250   1HB   LEU  38          2HB       LEU  38  -1.257   3.943   7.783
  251   2HB   LEU  38          1HB       LEU  38  -0.223   4.823   8.905
  252    HG   LEU  38           HG       LEU  38  -2.825   5.868   7.739
  253   1HD1  LEU  38          1HD1      LEU  38  -3.782   5.448   9.923
  254   2HD1  LEU  38          2HD1      LEU  38  -2.218   4.942  10.562
  255   3HD1  LEU  38          3HD1      LEU  38  -3.042   3.950   9.358
  256   1HD2  LEU  38          1HD2      LEU  38  -1.514   7.762   8.255
  257   2HD2  LEU  38          2HD2      LEU  38  -0.775   6.987   9.656
  258   3HD2  LEU  38          3HD2      LEU  38  -2.455   7.518   9.724
  259    H    ASP  39           H        ASP  39   1.942   5.126   8.032
  260    HA   ASP  39           HA       ASP  39   2.569   7.455   9.374
  261   1HB   ASP  39          2HB       ASP  39   3.797   5.448   9.796
  262   2HB   ASP  39          1HB       ASP  39   4.350   5.359   8.127
  263    H    ALA  40           H        ALA  40   3.998   6.481   6.247
  264    HA   ALA  40           HA       ALA  40   5.362   8.797   5.670
  265   1HB   ALA  40          1HB       ALA  40   3.898   7.238   3.547
  266   2HB   ALA  40          2HB       ALA  40   5.310   6.585   4.377
  267   3HB   ALA  40          3HB       ALA  40   5.453   8.061   3.425
  268    H    GLN  41           H        GLN  41   2.065   8.013   4.614
  269    HA   GLN  41           HA       GLN  41   1.377  10.230   3.203
  270   1HB   GLN  41          2HB       GLN  41  -0.017   8.302   3.444
  271   2HB   GLN  41          1HB       GLN  41  -0.267   8.631   5.159
  272   1HG   GLN  41          2HG       GLN  41  -1.612  10.516   4.724
  273   2HG   GLN  41          1HG       GLN  41  -1.035  10.675   3.066
  274   1HE2  GLN  41          1HE2      GLN  41  -1.494   7.407   3.711
  275   2HE2  GLN  41          2HE2      GLN  41  -3.069   7.237   3.083
  276    H    LYS  42           H        LYS  42   1.427   9.980   6.794
  277    HA   LYS  42           HA       LYS  42   1.491  12.906   6.908
  278   1HB   LYS  42          2HB       LYS  42  -0.869  11.291   7.846
  279   2HB   LYS  42          1HB       LYS  42  -0.447  12.773   8.700
  280   1HG   LYS  42          2HG       LYS  42  -0.495  13.963   6.454
  281   2HG   LYS  42          1HG       LYS  42  -1.184  12.495   5.778
  282   1HD   LYS  42          2HD       LYS  42  -2.367  14.204   7.970
  283   2HD   LYS  42          1HD       LYS  42  -2.998  13.976   6.340
  284   1HE   LYS  42          2HE       LYS  42  -4.316  12.501   7.600
  285   2HE   LYS  42          1HE       LYS  42  -3.054  11.438   6.979
  286   1HZ   LYS  42          1HZ       LYS  42  -2.347  12.738   9.441
  287   2HZ   LYS  42          2HZ       LYS  42  -2.253  11.097   9.014
  288   3HZ   LYS  42          3HZ       LYS  42  -3.714  11.745   9.588
  289    H    ALA  43           H        ALA  43   3.584  11.602   7.586
  290    HA   ALA  43           HA       ALA  43   3.814  12.093  10.424
  291   1HB   ALA  43          1HB       ALA  43   4.637   9.328   9.603
  292   2HB   ALA  43          2HB       ALA  43   2.962   9.646  10.044
  293   3HB   ALA  43          3HB       ALA  43   4.251   9.952  11.205
  294    H    THR  44           H        THR  44   5.412  10.380   7.732
  295    HA   THR  44           HA       THR  44   7.903  11.862   8.321
  296    HB   THR  44           HB       THR  44   7.556   9.080   7.213
  297    HG1  THR  44           1HG      THR  44   8.883   9.711   9.584
  298   1HG2  THR  44          1HG2      THR  44   9.534   9.878   6.238
  299   2HG2  THR  44          2HG2      THR  44  10.106   9.110   7.717
  300   3HG2  THR  44          3HG2      THR  44   9.943  10.864   7.643
  301    HA   PRO  45           HA       PRO  45   6.424  13.471   4.164
  302   1HB   PRO  45          2HB       PRO  45   8.910  14.972   4.959
  303   2HB   PRO  45          1HB       PRO  45   7.493  15.557   4.060
  304   1HG   PRO  45          2HG       PRO  45   7.737  16.063   6.652
  305   2HG   PRO  45          1HG       PRO  45   6.160  15.648   5.953
  306   1HD   PRO  45          2HD       PRO  45   7.893  14.022   7.731
  307   2HD   PRO  45          1HD       PRO  45   6.143  13.903   7.467
  308    HA   PRO  46           HA       PRO  46   9.726  10.579   2.757
  309   1HB   PRO  46          2HB       PRO  46   8.357   9.285   0.841
  310   2HB   PRO  46          1HB       PRO  46   8.004   9.022   2.559
  311   1HG   PRO  46          2HG       PRO  46   6.573  10.783   0.610
  312   2HG   PRO  46          1HG       PRO  46   5.905   9.630   1.755
  313   1HD   PRO  46          2HD       PRO  46   6.052  12.312   2.268
  314   2HD   PRO  46          1HD       PRO  46   6.098  11.087   3.562
  315    H    LYS  47           H        LYS  47   8.234  10.633  -0.303
  316    HA   LYS  47           HA       LYS  47  10.505  11.989  -1.463
  317   1HB   LYS  47          2HB       LYS  47   8.033  11.029  -2.900
  318   2HB   LYS  47          1HB       LYS  47   9.650  11.271  -3.561
  319   1HG   LYS  47          2HG       LYS  47   8.876   9.202  -1.483
  320   2HG   LYS  47          1HG       LYS  47   9.231   8.879  -3.181
  321   1HD   LYS  47          2HD       LYS  47  11.512  10.021  -2.714
  322   2HD   LYS  47          1HD       LYS  47  11.121   9.791  -1.009
  323   1HE   LYS  47          2HE       LYS  47  10.834   7.369  -1.402
  324   2HE   LYS  47          1HE       LYS  47  11.250   7.600  -3.101
  325   1HZ   LYS  47          1HZ       LYS  47  13.303   7.145  -2.335
  326   2HZ   LYS  47          2HZ       LYS  47  12.956   7.640  -0.747
  327   3HZ   LYS  47          3HZ       LYS  47  13.310   8.795  -1.942
  328    H    LEU  48           H        LEU  48   7.442  12.971  -0.314
  329    HA   LEU  48           HA       LEU  48   7.073  15.099  -2.251
  330   1HB   LEU  48          2HB       LEU  48   5.800  15.158   0.470
  331   2HB   LEU  48          1HB       LEU  48   5.142  15.667  -1.088
  332    HG   LEU  48           HG       LEU  48   5.630  12.820  -0.161
  333   1HD1  LEU  48          1HD1      LEU  48   3.162  14.487  -0.677
  334   2HD1  LEU  48          2HD1      LEU  48   3.628  13.669   0.814
  335   3HD1  LEU  48          3HD1      LEU  48   3.120  12.730  -0.585
  336   1HD2  LEU  48          1HD2      LEU  48   6.095  12.747  -2.479
  337   2HD2  LEU  48          2HD2      LEU  48   4.888  13.975  -2.854
  338   3HD2  LEU  48          3HD2      LEU  48   4.382  12.349  -2.399
  339    H    GLU  49           H        GLU  49   9.680  15.152  -1.221
  340    HA   GLU  49           HA       GLU  49  10.021  17.032   0.870
  341   1HB   GLU  49          2HB       GLU  49  11.836  15.558   0.004
  342   2HB   GLU  49          1HB       GLU  49  11.858  16.507  -1.483
  343   1HG   GLU  49          2HG       GLU  49  12.439  18.522  -0.235
  344   2HG   GLU  49          1HG       GLU  49  12.319  17.644   1.289
  345    H    ASP  50           H        ASP  50   9.319  17.286  -2.523
  346    HA   ASP  50           HA       ASP  50   8.650  20.086  -2.258
  347   1HB   ASP  50          2HB       ASP  50  10.934  19.207  -4.038
  348   2HB   ASP  50          1HB       ASP  50  10.137  20.774  -4.153
  349    H    LYS  51           H        LYS  51   6.921  18.098  -2.736
  350    HA   LYS  51           HA       LYS  51   6.208  18.459  -5.588
  351   1HB   LYS  51          2HB       LYS  51   5.841  15.859  -4.096
  352   2HB   LYS  51          1HB       LYS  51   5.570  16.165  -5.809
  353   1HG   LYS  51          2HG       LYS  51   8.165  16.875  -5.704
  354   2HG   LYS  51          1HG       LYS  51   8.154  15.776  -4.329
  355   1HD   LYS  51          2HD       LYS  51   7.110  15.020  -7.079
  356   2HD   LYS  51          1HD       LYS  51   8.752  14.698  -6.538
  357   1HE   LYS  51          2HE       LYS  51   6.458  13.780  -4.823
  358   2HE   LYS  51          1HE       LYS  51   6.895  12.846  -6.247
  359   1HZ   LYS  51          1HZ       LYS  51   8.271  13.115  -3.749
  360   2HZ   LYS  51          2HZ       LYS  51   9.285  13.373  -5.087
  361   3HZ   LYS  51          3HZ       LYS  51   8.417  11.920  -4.942
  362    H    SER  52           H        SER  52   5.304  19.785  -3.150
  363    HA   SER  52           HA       SER  52   3.061  18.967  -1.918
  364   1HB   SER  52          2HB       SER  52   4.318  21.398  -2.284
  365   2HB   SER  52          1HB       SER  52   2.706  21.710  -2.912
  366    HG   SER  52           HG       SER  52   3.490  20.781  -0.357
  367    HA   PRO  53           HA       PRO  53  -0.539  18.462  -4.417
  368   1HB   PRO  53          2HB       PRO  53  -1.753  21.063  -3.568
  369   2HB   PRO  53          1HB       PRO  53  -2.423  19.422  -3.474
  370   1HG   PRO  53          2HG       PRO  53  -1.522  20.634  -1.300
  371   2HG   PRO  53          1HG       PRO  53  -1.228  18.903  -1.560
  372   1HD   PRO  53          2HD       PRO  53   0.670  21.208  -1.893
  373   2HD   PRO  53          1HD       PRO  53   0.973  19.582  -1.240
  374    H    ASP  54           H        ASP  54   1.532  19.618  -5.853
  375    HA   ASP  54           HA       ASP  54   0.268  21.624  -7.638
  376   1HB   ASP  54          2HB       ASP  54   2.448  22.210  -6.648
  377   2HB   ASP  54          1HB       ASP  54   3.161  20.778  -7.390
  378    H    SER  55           H        SER  55   2.622  19.013  -7.905
  379    HA   SER  55           HA       SER  55   1.925  18.332 -10.615
  380   1HB   SER  55          2HB       SER  55   3.542  16.359  -9.175
  381   2HB   SER  55          1HB       SER  55   4.025  17.425 -10.502
  382    HG   SER  55           HG       SER  55   4.037  17.893  -7.720
  383    HA   PRO  56           HA       PRO  56  -1.028  15.085  -9.804
  384   1HB   PRO  56          2HB       PRO  56   0.081  12.695 -10.694
  385   2HB   PRO  56          1HB       PRO  56  -0.666  13.907 -11.750
  386   1HG   PRO  56          2HG       PRO  56   2.219  13.425 -11.170
  387   2HG   PRO  56          1HG       PRO  56   1.431  13.848 -12.701
  388   1HD   PRO  56          2HD       PRO  56   2.765  15.677 -11.240
  389   2HD   PRO  56          1HD       PRO  56   1.330  16.120 -12.177
  390    H    GLU  57           H        GLU  57   0.794  15.776  -7.683
  391    HA   GLU  57           HA       GLU  57   1.801  13.535  -6.286
  392   1HB   GLU  57          2HB       GLU  57   2.577  15.696  -5.581
  393   2HB   GLU  57          1HB       GLU  57   0.934  16.302  -5.394
  394   1HG   GLU  57          2HG       GLU  57   0.543  14.872  -3.473
  395   2HG   GLU  57          1HG       GLU  57   2.060  14.014  -3.741
  396    H    MET  58           H        MET  58  -1.036  15.519  -5.527
  397    HA   MET  58           HA       MET  58  -2.315  14.061  -3.658
  398   1HB   MET  58          2HB       MET  58  -3.723  15.242  -6.054
  399   2HB   MET  58          1HB       MET  58  -4.419  14.904  -4.467
  400   1HG   MET  58          2HG       MET  58  -3.119  16.610  -3.420
  401   2HG   MET  58          1HG       MET  58  -2.047  16.766  -4.813
  402   1HE   MET  58          1HE       MET  58  -6.105  18.649  -4.063
  403   2HE   MET  58          2HE       MET  58  -4.915  18.019  -2.928
  404   3HE   MET  58          3HE       MET  58  -5.904  16.903  -3.868
  405    H    LYS  59           H        LYS  59  -2.534  13.524  -7.136
  406    HA   LYS  59           HA       LYS  59  -4.284  11.368  -7.197
  407   1HB   LYS  59          2HB       LYS  59  -1.914  12.028  -8.949
  408   2HB   LYS  59          1HB       LYS  59  -3.064  10.751  -9.324
  409   1HG   LYS  59          2HG       LYS  59  -4.199  13.457  -8.678
  410   2HG   LYS  59          1HG       LYS  59  -3.380  13.284 -10.230
  411   1HD   LYS  59          2HD       LYS  59  -5.413  11.224  -9.368
  412   2HD   LYS  59          1HD       LYS  59  -5.957  12.757 -10.050
  413   1HE   LYS  59          2HE       LYS  59  -5.043  12.307 -12.146
  414   2HE   LYS  59          1HE       LYS  59  -3.812  11.223 -11.496
  415   1HZ   LYS  59          1HZ       LYS  59  -6.565  10.676 -12.238
  416   2HZ   LYS  59          2HZ       LYS  59  -6.029   9.925 -10.811
  417   3HZ   LYS  59          3HZ       LYS  59  -5.207   9.660 -12.274
  418    H    ASP  60           H        ASP  60  -0.812  10.915  -7.737
  419    HA   ASP  60           HA       ASP  60  -0.710   8.200  -7.137
  420   1HB   ASP  60          2HB       ASP  60   1.067   9.701  -8.205
  421   2HB   ASP  60          1HB       ASP  60   1.544  10.129  -6.562
  422    H    PHE  61           H        PHE  61  -0.672  10.959  -5.051
  423    HA   PHE  61           HA       PHE  61   0.261   9.626  -2.705
  424   1HB   PHE  61          2HB       PHE  61   0.468  12.070  -3.197
  425   2HB   PHE  61          1HB       PHE  61  -1.260  12.213  -2.938
  426    HD1  PHE  61           1HD      PHE  61  -1.878  12.978  -0.826
  427    HD2  PHE  61           2HD      PHE  61   1.712  10.665  -1.256
  428    HE1  PHE  61           1HE      PHE  61  -1.408  13.278   1.569
  429    HE2  PHE  61           2HE      PHE  61   2.178  10.961   1.151
  430    HZ   PHE  61           HZ       PHE  61   0.614  12.280   2.540
  431    H    ARG  62           H        ARG  62  -2.954  11.198  -3.234
  432    HA   ARG  62           HA       ARG  62  -4.193   9.756  -1.161
  433   1HB   ARG  62          2HB       ARG  62  -5.172  11.287  -3.538
  434   2HB   ARG  62          1HB       ARG  62  -6.312  10.160  -2.819
  435   1HG   ARG  62          2HG       ARG  62  -6.460  12.470  -1.871
  436   2HG   ARG  62          1HG       ARG  62  -6.117  11.238  -0.663
  437   1HD   ARG  62          2HD       ARG  62  -3.883  11.902  -0.437
  438   2HD   ARG  62          1HD       ARG  62  -3.866  12.724  -1.998
  439    HE   ARG  62           HE       ARG  62  -4.617  13.863   0.509
  440   1HH1  ARG  62          1HH2      ARG  62  -5.370  13.810  -2.868
  441   2HH1  ARG  62          2HH2      ARG  62  -6.033  15.409  -2.884
  442   1HH2  ARG  62          1HH1      ARG  62  -5.481  15.960   0.493
  443   2HH2  ARG  62          2HH1      ARG  62  -6.093  16.628  -0.983
  444    H    HIS  63           H        HIS  63  -3.434   8.820  -4.464
  445    HA   HIS  63           HA       HIS  63  -5.129   6.477  -4.334
  446   1HB   HIS  63          2HB       HIS  63  -4.452   7.681  -6.474
  447   2HB   HIS  63          1HB       HIS  63  -2.863   6.939  -6.271
  448    HD1  HIS  63           1HD      HIS  63  -2.823   5.087  -7.957
  449    HD2  HIS  63           2HD      HIS  63  -6.399   5.153  -5.813
  450    HE1  HIS  63           1HE      HIS  63  -4.120   3.031  -8.664
  451    HE2  HIS  63           2HE      HIS  63  -6.303   3.056  -7.367
  452    H    GLY  64           H        GLY  64  -1.607   7.000  -4.415
  453   1HA   GLY  64          2HA       GLY  64  -0.619   4.502  -4.148
  454   2HA   GLY  64          1HA       GLY  64   0.065   5.857  -3.269
  455    H    PHE  65           H        PHE  65  -2.089   6.388  -1.500
  456    HA   PHE  65           HA       PHE  65  -1.617   4.266   0.409
  457   1HB   PHE  65          2HB       PHE  65  -1.941   6.002   1.842
  458   2HB   PHE  65          1HB       PHE  65  -2.558   7.017   0.550
  459    HD1  PHE  65           1HD      PHE  65  -5.028   6.581  -0.170
  460    HD2  PHE  65           2HD      PHE  65  -3.390   5.300   3.570
  461    HE1  PHE  65           1HE      PHE  65  -7.287   6.416   0.725
  462    HE2  PHE  65           2HE      PHE  65  -5.688   5.127   4.494
  463    HZ   PHE  65           HZ       PHE  65  -7.632   5.689   3.055
  464    H    ASP  66           H        ASP  66  -4.199   5.279  -1.731
  465    HA   ASP  66           HA       ASP  66  -6.206   3.555  -0.704
  466   1HB   ASP  66          2HB       ASP  66  -6.525   5.535  -2.287
  467   2HB   ASP  66          1HB       ASP  66  -5.965   4.466  -3.575
  468    H    ILE  67           H        ILE  67  -3.519   3.192  -2.883
  469    HA   ILE  67           HA       ILE  67  -4.271   0.720  -4.083
  470    HB   ILE  67           HB       ILE  67  -1.584   2.088  -3.711
  471   1HG1  ILE  67          2HG1      ILE  67  -3.418   1.780  -6.111
  472   2HG1  ILE  67          1HG1      ILE  67  -3.272   3.224  -5.117
  473   1HG2  ILE  67          1HG2      ILE  67  -2.330  -0.393  -5.309
  474   2HG2  ILE  67          2HG2      ILE  67  -1.164  -0.304  -3.988
  475   3HG2  ILE  67          3HG2      ILE  67  -0.820   0.495  -5.518
  476   1HD1  ILE  67          1HD1      ILE  67  -1.726   3.838  -6.682
  477   2HD1  ILE  67          2HD1      ILE  67  -1.444   2.177  -7.196
  478   3HD1  ILE  67          3HD1      ILE  67  -0.643   2.800  -5.753
  479    H    LEU  68           H        LEU  68  -1.796   1.468  -1.672
  480    HA   LEU  68           HA       LEU  68  -1.130  -1.114  -0.941
  481   1HB   LEU  68          2HB       LEU  68  -0.891   1.559   0.304
  482   2HB   LEU  68          1HB       LEU  68  -0.752   0.198   1.419
  483    HG   LEU  68           HG       LEU  68   0.979  -0.813  -0.110
  484   1HD1  LEU  68          1HD1      LEU  68   2.003   0.713  -1.806
  485   2HD1  LEU  68          2HD1      LEU  68   0.680   1.845  -1.535
  486   3HD1  LEU  68          3HD1      LEU  68   0.351   0.245  -2.202
  487   1HD2  LEU  68          1HD2      LEU  68   1.537   1.968   0.955
  488   2HD2  LEU  68          2HD2      LEU  68   2.779   0.854   0.393
  489   3HD2  LEU  68          3HD2      LEU  68   1.790   0.432   1.785
  490    H    VAL  69           H        VAL  69  -3.520   0.958   0.780
  491    HA   VAL  69           HA       VAL  69  -4.322  -0.977   2.629
  492    HB   VAL  69           HB       VAL  69  -6.322   0.319   2.977
  493   1HG1  VAL  69          1HG1      VAL  69  -3.793   1.846   2.398
  494   2HG1  VAL  69          2HG1      VAL  69  -4.560   1.507   3.946
  495   3HG1  VAL  69          3HG1      VAL  69  -5.246   2.724   2.871
  496   1HG2  VAL  69          1HG2      VAL  69  -6.813   2.226   1.366
  497   2HG2  VAL  69          2HG2      VAL  69  -7.142   0.607   0.750
  498   3HG2  VAL  69          3HG2      VAL  69  -5.679   1.459   0.256
  499    H    GLY  70           H        GLY  70  -5.146  -0.637  -0.744
  500   1HA   GLY  70          2HA       GLY  70  -7.425  -2.398  -0.652
  501   2HA   GLY  70          1HA       GLY  70  -6.610  -1.818  -2.103
  502    H    GLN  71           H        GLN  71  -3.985  -2.727  -1.016
  503    HA   GLN  71           HA       GLN  71  -4.156  -5.490  -1.961
  504   1HB   GLN  71          2HB       GLN  71  -1.776  -3.766  -1.222
  505   2HB   GLN  71          1HB       GLN  71  -1.702  -5.375  -1.937
  506   1HG   GLN  71          2HG       GLN  71  -2.774  -4.624  -3.943
  507   2HG   GLN  71          1HG       GLN  71  -3.177  -3.077  -3.210
  508   1HE2  GLN  71          1HE2      GLN  71  -0.603  -2.586  -1.962
  509   2HE2  GLN  71          2HE2      GLN  71   0.515  -2.316  -3.207
  510    H    ILE  72           H        ILE  72  -2.932  -3.686   0.834
  511    HA   ILE  72           HA       ILE  72  -2.035  -5.681   2.484
  512    HB   ILE  72           HB       ILE  72  -3.581  -3.155   3.034
  513   1HG1  ILE  72          2HG1      ILE  72  -0.806  -3.776   4.027
  514   2HG1  ILE  72          1HG1      ILE  72  -1.025  -3.417   2.318
  515   1HG2  ILE  72          1HG2      ILE  72  -2.924  -3.501   5.474
  516   2HG2  ILE  72          2HG2      ILE  72  -2.627  -5.191   5.062
  517   3HG2  ILE  72          3HG2      ILE  72  -4.246  -4.513   4.891
  518   1HD1  ILE  72          1HD1      ILE  72  -2.003  -1.276   2.808
  519   2HD1  ILE  72          2HD1      ILE  72  -0.518  -1.402   3.742
  520   3HD1  ILE  72          3HD1      ILE  72  -2.078  -1.645   4.527
  521    H    ASP  73           H        ASP  73  -5.386  -4.768   1.815
  522    HA   ASP  73           HA       ASP  73  -6.532  -6.718   3.596
  523   1HB   ASP  73          2HB       ASP  73  -7.724  -4.641   2.858
  524   2HB   ASP  73          1HB       ASP  73  -7.816  -5.320   1.234
  525    H    ASP  74           H        ASP  74  -6.119  -6.458   0.072
  526    HA   ASP  74           HA       ASP  74  -7.174  -8.843  -0.762
  527   1HB   ASP  74          2HB       ASP  74  -6.105  -6.945  -2.144
  528   2HB   ASP  74          1HB       ASP  74  -4.582  -7.794  -1.878
  529    H    ALA  75           H        ALA  75  -4.189  -8.193   0.899
  530    HA   ALA  75           HA       ALA  75  -2.972 -10.725   0.424
  531   1HB   ALA  75          1HB       ALA  75  -1.438 -10.061   2.249
  532   2HB   ALA  75          2HB       ALA  75  -2.470  -8.672   2.585
  533   3HB   ALA  75          3HB       ALA  75  -1.628  -8.790   1.041
  534    H    LEU  76           H        LEU  76  -4.500  -9.353   3.378
  535    HA   LEU  76           HA       LEU  76  -4.436 -11.821   4.770
  536   1HB   LEU  76          2HB       LEU  76  -4.772  -9.528   5.823
  537   2HB   LEU  76          1HB       LEU  76  -6.443  -9.627   5.272
  538    HG   LEU  76           HG       LEU  76  -6.330 -12.047   6.464
  539   1HD1  LEU  76          1HD1      LEU  76  -4.914 -12.097   8.382
  540   2HD1  LEU  76          2HD1      LEU  76  -4.421 -10.418   8.160
  541   3HD1  LEU  76          3HD1      LEU  76  -3.881 -11.655   7.025
  542   1HD2  LEU  76          1HD2      LEU  76  -7.183 -10.958   8.546
  543   2HD2  LEU  76          2HD2      LEU  76  -7.916 -10.288   7.088
  544   3HD2  LEU  76          3HD2      LEU  76  -6.645  -9.397   7.927
  545    H    LYS  77           H        LYS  77  -7.155 -10.168   3.106
  546    HA   LYS  77           HA       LYS  77  -9.139 -12.012   3.576
  547   1HB   LYS  77          2HB       LYS  77 -10.320 -11.046   1.817
  548   2HB   LYS  77          1HB       LYS  77  -9.175  -9.812   2.227
  549   1HG   LYS  77          2HG       LYS  77  -9.078  -9.889  -0.108
  550   2HG   LYS  77          1HG       LYS  77  -7.637 -10.733   0.434
  551   1HD   LYS  77          2HD       LYS  77  -9.165 -11.686  -1.533
  552   2HD   LYS  77          1HD       LYS  77  -8.350 -12.757  -0.423
  553   1HE   LYS  77          2HE       LYS  77 -10.726 -13.391  -0.805
  554   2HE   LYS  77          1HE       LYS  77 -10.430 -13.008   0.887
  555   1HZ   LYS  77          1HZ       LYS  77 -12.223 -11.788  -0.900
  556   2HZ   LYS  77          2HZ       LYS  77 -11.076 -10.632  -0.418
  557   3HZ   LYS  77          3HZ       LYS  77 -11.990 -11.462   0.749
  558    H    LEU  78           H        LEU  78  -6.365 -12.371   1.491
  559    HA   LEU  78           HA       LEU  78  -7.256 -14.764   0.203
  560   1HB   LEU  78          2HB       LEU  78  -5.286 -13.106  -0.398
  561   2HB   LEU  78          1HB       LEU  78  -4.345 -14.155   0.653
  562    HG   LEU  78           HG       LEU  78  -4.103 -14.981  -1.596
  563   1HD1  LEU  78          1HD1      LEU  78  -4.516 -16.617   0.312
  564   2HD1  LEU  78          2HD1      LEU  78  -4.794 -17.244  -1.311
  565   3HD1  LEU  78          3HD1      LEU  78  -6.162 -16.778  -0.303
  566   1HD2  LEU  78          1HD2      LEU  78  -7.031 -15.542  -1.959
  567   2HD2  LEU  78          2HD2      LEU  78  -5.792 -15.196  -3.160
  568   3HD2  LEU  78          3HD2      LEU  78  -6.484 -13.885  -2.214
  569    H    ALA  79           H        ALA  79  -4.703 -14.309   2.667
  570    HA   ALA  79           HA       ALA  79  -4.442 -17.001   3.430
  571   1HB   ALA  79          1HB       ALA  79  -3.433 -16.116   5.489
  572   2HB   ALA  79          2HB       ALA  79  -4.087 -14.516   5.140
  573   3HB   ALA  79          3HB       ALA  79  -2.857 -15.217   4.088
  574    H    ASN  80           H        ASN  80  -6.814 -14.602   4.268
  575    HA   ASN  80           HA       ASN  80  -7.861 -15.933   6.567
  576   1HB   ASN  80          2HB       ASN  80  -8.110 -13.454   5.987
  577   2HB   ASN  80          1HB       ASN  80  -9.344 -13.957   4.839
  578   1HD2  ASN  80          1HD2      ASN  80  -9.772 -12.350   7.303
  579   2HD2  ASN  80          2HD2      ASN  80 -10.839 -13.250   8.268
  580    H    GLU  81           H        GLU  81  -8.215 -16.136   3.152
  581    HA   GLU  81           HA       GLU  81 -10.756 -17.508   3.176
  582   1HB   GLU  81          2HB       GLU  81  -9.971 -16.050   1.289
  583   2HB   GLU  81          1HB       GLU  81  -8.769 -17.285   0.912
  584   1HG   GLU  81          2HG       GLU  81 -10.489 -18.930   0.496
  585   2HG   GLU  81          1HG       GLU  81 -11.743 -17.834   1.075
  586    H    GLY  82           H        GLY  82  -7.352 -18.462   2.467
  587   1HA   GLY  82          2HA       GLY  82  -8.029 -21.173   3.371
  588   2HA   GLY  82          1HA       GLY  82  -7.433 -20.981   1.729
  589    H    LYS  83           H        LYS  83  -5.260 -20.384   1.389
  590    HA   LYS  83           HA       LYS  83  -3.520 -21.028   3.691
  591   1HB   LYS  83          2HB       LYS  83  -3.483 -21.651   0.799
  592   2HB   LYS  83          1HB       LYS  83  -1.904 -21.303   1.492
  593   1HG   LYS  83          2HG       LYS  83  -3.767 -23.209   2.907
  594   2HG   LYS  83          1HG       LYS  83  -2.816 -23.768   1.532
  595   1HD   LYS  83          2HD       LYS  83  -0.757 -23.242   2.610
  596   2HD   LYS  83          1HD       LYS  83  -1.567 -22.309   3.868
  597   1HE   LYS  83          2HE       LYS  83  -0.779 -24.776   4.371
  598   2HE   LYS  83          1HE       LYS  83  -2.338 -24.216   4.969
  599   1HZ   LYS  83          1HZ       LYS  83  -1.978 -25.613   2.380
  600   2HZ   LYS  83          2HZ       LYS  83  -3.443 -25.245   3.156
  601   3HZ   LYS  83          3HZ       LYS  83  -2.394 -26.404   3.821
  602    H    VAL  84           H        VAL  84  -1.767 -19.958   4.254
  603    HA   VAL  84           HA       VAL  84  -1.589 -17.149   3.693
  604    HB   VAL  84           HB       VAL  84   0.161 -19.084   5.235
  605   1HG1  VAL  84          1HG1      VAL  84   0.477 -16.128   4.709
  606   2HG1  VAL  84          2HG1      VAL  84   1.676 -17.406   4.507
  607   3HG1  VAL  84          3HG1      VAL  84   1.191 -16.899   6.126
  608   1HG2  VAL  84          1HG2      VAL  84  -2.204 -18.260   6.039
  609   2HG2  VAL  84          2HG2      VAL  84  -1.366 -16.741   6.366
  610   3HG2  VAL  84          3HG2      VAL  84  -0.849 -18.224   7.166
  611    H    LYS  85           H        LYS  85   0.306 -20.047   2.913
  612    HA   LYS  85           HA       LYS  85   2.481 -18.981   1.618
  613   1HB   LYS  85          2HB       LYS  85   0.961 -21.394   0.611
  614   2HB   LYS  85          1HB       LYS  85   2.684 -21.060   0.440
  615   1HG   LYS  85          2HG       LYS  85   2.632 -20.978   3.086
  616   2HG   LYS  85          1HG       LYS  85   1.151 -21.915   2.889
  617   1HD   LYS  85          2HD       LYS  85   3.879 -22.647   1.773
  618   2HD   LYS  85          1HD       LYS  85   3.090 -23.408   3.155
  619   1HE   LYS  85          2HE       LYS  85   1.202 -24.070   1.654
  620   2HE   LYS  85          1HE       LYS  85   2.102 -23.414   0.287
  621   1HZ   LYS  85          1HZ       LYS  85   2.536 -25.728   0.396
  622   2HZ   LYS  85          2HZ       LYS  85   2.897 -25.658   2.055
  623   3HZ   LYS  85          3HZ       LYS  85   3.940 -24.938   0.924
  624    H    GLU  86           H        GLU  86  -0.814 -19.251   0.465
  625    HA   GLU  86           HA       GLU  86  -0.176 -18.458  -2.246
  626   1HB   GLU  86          2HB       GLU  86  -2.860 -18.480  -0.834
  627   2HB   GLU  86          1HB       GLU  86  -2.593 -18.368  -2.573
  628   1HG   GLU  86          2HG       GLU  86  -1.371 -20.594  -2.406
  629   2HG   GLU  86          1HG       GLU  86  -1.990 -20.707  -0.761
  630    H    ALA  87           H        ALA  87  -1.035 -17.010   0.759
  631    HA   ALA  87           HA       ALA  87  -1.596 -14.388  -0.343
  632   1HB   ALA  87          1HB       ALA  87  -1.089 -15.061   2.554
  633   2HB   ALA  87          2HB       ALA  87  -2.644 -15.352   1.773
  634   3HB   ALA  87          3HB       ALA  87  -2.011 -13.710   1.894
  635    H    GLN  88           H        GLN  88   0.958 -15.876   1.664
  636    HA   GLN  88           HA       GLN  88   2.639 -13.680   1.899
  637   1HB   GLN  88          2HB       GLN  88   4.162 -15.159   2.778
  638   2HB   GLN  88          1HB       GLN  88   2.772 -16.233   2.765
  639   1HG   GLN  88          2HG       GLN  88   4.421 -17.548   1.754
  640   2HG   GLN  88          1HG       GLN  88   3.601 -16.866   0.363
  641   1HE2  GLN  88          1HE2      GLN  88   4.883 -14.184   1.136
  642   2HE2  GLN  88          2HE2      GLN  88   6.458 -14.290   0.526
  643    H    ALA  89           H        ALA  89   2.178 -15.899  -0.793
  644    HA   ALA  89           HA       ALA  89   4.288 -14.794  -2.400
  645   1HB   ALA  89          1HB       ALA  89   3.408 -17.061  -2.823
  646   2HB   ALA  89          2HB       ALA  89   3.210 -16.033  -4.242
  647   3HB   ALA  89          3HB       ALA  89   1.827 -16.376  -3.202
  648    H    ALA  90           H        ALA  90   0.811 -14.355  -1.995
  649    HA   ALA  90           HA       ALA  90   0.438 -12.471  -4.083
  650   1HB   ALA  90          1HB       ALA  90  -1.676 -12.063  -3.138
  651   2HB   ALA  90          2HB       ALA  90  -1.119 -12.418  -1.503
  652   3HB   ALA  90          3HB       ALA  90  -1.333 -13.727  -2.666
  653    H    ALA  91           H        ALA  91   1.982 -12.305  -1.033
  654    HA   ALA  91           HA       ALA  91   1.704  -9.479  -0.605
  655   1HB   ALA  91          1HB       ALA  91   2.173 -11.320   1.141
  656   2HB   ALA  91          2HB       ALA  91   3.031  -9.788   1.301
  657   3HB   ALA  91          3HB       ALA  91   3.851 -11.191   0.617
  658    H    GLU  92           H        GLU  92   4.104 -11.599  -2.063
  659    HA   GLU  92           HA       GLU  92   6.198  -9.716  -2.309
  660   1HB   GLU  92          2HB       GLU  92   5.667 -11.993  -4.215
  661   2HB   GLU  92          1HB       GLU  92   7.220 -11.264  -3.797
  662   1HG   GLU  92          2HG       GLU  92   6.902 -12.015  -1.449
  663   2HG   GLU  92          1HG       GLU  92   5.410 -12.810  -1.934
  664    H    GLN  93           H        GLN  93   3.570 -10.615  -4.554
  665    HA   GLN  93           HA       GLN  93   4.451  -8.994  -6.679
  666   1HB   GLN  93          2HB       GLN  93   1.966  -8.958  -7.317
  667   2HB   GLN  93          1HB       GLN  93   2.745 -10.535  -7.211
  668   1HG   GLN  93          2HG       GLN  93   1.854 -10.835  -4.941
  669   2HG   GLN  93          1HG       GLN  93   1.101  -9.249  -5.022
  670   1HE2  GLN  93          1HE2      GLN  93  -0.928  -9.082  -6.069
  671   2HE2  GLN  93          2HE2      GLN  93  -1.693 -10.387  -6.837
  672    H    LEU  94           H        LEU  94   3.334  -8.120  -3.605
  673    HA   LEU  94           HA       LEU  94   2.182  -5.564  -4.369
  674   1HB   LEU  94          2HB       LEU  94   3.073  -6.370  -1.599
  675   2HB   LEU  94          1HB       LEU  94   1.930  -5.110  -2.041
  676    HG   LEU  94           HG       LEU  94   1.555  -8.085  -2.396
  677   1HD1  LEU  94          1HD1      LEU  94  -0.326  -7.712  -0.818
  678   2HD1  LEU  94          2HD1      LEU  94   0.140  -6.015  -0.690
  679   3HD1  LEU  94          3HD1      LEU  94   1.224  -7.269  -0.101
  680   1HD2  LEU  94          1HD2      LEU  94  -0.821  -7.214  -3.082
  681   2HD2  LEU  94          2HD2      LEU  94   0.472  -7.165  -4.278
  682   3HD2  LEU  94          3HD2      LEU  94   0.017  -5.699  -3.423
  683    H    LYS  95           H        LYS  95   4.904  -6.284  -2.156
  684    HA   LYS  95           HA       LYS  95   6.078  -3.845  -2.074
  685   1HB   LYS  95          2HB       LYS  95   8.261  -4.950  -1.784
  686   2HB   LYS  95          1HB       LYS  95   6.991  -5.758  -0.870
  687   1HG   LYS  95          2HG       LYS  95   6.783  -7.463  -2.599
  688   2HG   LYS  95          1HG       LYS  95   7.991  -6.645  -3.588
  689   1HD   LYS  95          2HD       LYS  95   9.593  -6.911  -1.635
  690   2HD   LYS  95          1HD       LYS  95   8.383  -7.965  -0.899
  691   1HE   LYS  95          2HE       LYS  95   9.973  -9.349  -2.108
  692   2HE   LYS  95          1HE       LYS  95   8.435  -9.378  -2.970
  693   1HZ   LYS  95          1HZ       LYS  95   9.245  -8.102  -4.657
  694   2HZ   LYS  95          2HZ       LYS  95  10.670  -8.917  -4.219
  695   3HZ   LYS  95          3HZ       LYS  95  10.399  -7.325  -3.686
  696    H    THR  96           H        THR  96   5.998  -5.986  -4.813
  697    HA   THR  96           HA       THR  96   7.986  -4.562  -6.337
  698    HB   THR  96           HB       THR  96   5.799  -6.282  -7.477
  699    HG1  THR  96           1HG      THR  96   7.725  -6.940  -5.694
  700   1HG2  THR  96          1HG2      THR  96   8.695  -5.861  -8.259
  701   2HG2  THR  96          2HG2      THR  96   7.320  -5.058  -9.017
  702   3HG2  THR  96          3HG2      THR  96   7.502  -6.808  -9.148
  703    H    THR  97           H        THR  97   4.441  -4.695  -6.291
  704    HA   THR  97           HA       THR  97   3.957  -2.866  -8.365
  705    HB   THR  97           HB       THR  97   2.251  -3.373  -5.917
  706    HG1  THR  97           1HG      THR  97   2.373  -4.658  -8.443
  707   1HG2  THR  97          1HG2      THR  97   0.417  -2.777  -7.532
  708   2HG2  THR  97          2HG2      THR  97   1.661  -2.284  -8.681
  709   3HG2  THR  97          3HG2      THR  97   1.493  -1.434  -7.145
  710    H    ILE  98           H        ILE  98   4.283  -2.337  -4.839
  711    HA   ILE  98           HA       ILE  98   3.729   0.437  -5.002
  712    HB   ILE  98           HB       ILE  98   4.209   0.557  -2.742
  713   1HG1  ILE  98          2HG1      ILE  98   6.376  -1.530  -3.168
  714   2HG1  ILE  98          1HG1      ILE  98   6.631   0.190  -2.865
  715   1HG2  ILE  98          1HG2      ILE  98   2.714  -1.458  -3.328
  716   2HG2  ILE  98          2HG2      ILE  98   3.400  -1.405  -1.705
  717   3HG2  ILE  98          3HG2      ILE  98   4.113  -2.452  -2.928
  718   1HD1  ILE  98          1HD1      ILE  98   5.482  -1.872  -0.967
  719   2HD1  ILE  98          2HD1      ILE  98   5.367  -0.137  -0.679
  720   3HD1  ILE  98          3HD1      ILE  98   6.946  -0.914  -0.764
  721    H    ARG  99           H        ARG  99   6.557  -1.488  -5.667
  722    HA   ARG  99           HA       ARG  99   8.387   0.694  -5.491
  723   1HB   ARG  99          2HB       ARG  99   8.545  -2.105  -6.447
  724   2HB   ARG  99          1HB       ARG  99   9.585  -1.002  -7.336
  725   1HG   ARG  99          2HG       ARG  99   9.547  -1.362  -4.319
  726   2HG   ARG  99          1HG       ARG  99  10.787  -1.961  -5.417
  727   1HD   ARG  99          2HD       ARG  99  10.735   0.719  -6.084
  728   2HD   ARG  99          1HD       ARG  99  10.380   0.782  -4.362
  729    HE   ARG  99           HE       ARG  99  12.887   0.022  -5.578
  730   1HH1  ARG  99          1HH2      ARG  99  10.801  -0.280  -2.832
  731   2HH1  ARG  99          2HH2      ARG  99  12.081  -0.661  -1.730
  732   1HH2  ARG  99          1HH1      ARG  99  14.569  -0.478  -4.137
  733   2HH2  ARG  99          2HH1      ARG  99  14.214  -0.773  -2.467
  734    H    ALA 100           H        ALA 100   6.081  -0.313  -7.827
  735    HA   ALA 100           HA       ALA 100   7.187   1.137 -10.037
  736   1HB   ALA 100          1HB       ALA 100   5.414  -0.650 -10.243
  737   2HB   ALA 100          2HB       ALA 100   5.014   0.855 -11.070
  738   3HB   ALA 100          3HB       ALA 100   4.272   0.479  -9.515
  739    H    TYR 101           H        TYR 101   4.960   1.801  -7.389
  740    HA   TYR 101           HA       TYR 101   4.422   4.509  -8.229
  741   1HB   TYR 101          2HB       TYR 101   2.661   4.035  -6.858
  742   2HB   TYR 101          1HB       TYR 101   3.501   2.660  -6.151
  743    HD1  TYR 101           1HD      TYR 101   3.654   6.410  -6.114
  744    HD2  TYR 101           2HD      TYR 101   3.978   2.769  -3.862
  745    HE1  TYR 101           1HE      TYR 101   4.023   7.724  -4.041
  746    HE2  TYR 101           2HE      TYR 101   4.341   4.080  -1.789
  747    HH   TYR 101           HH       TYR 101   4.023   7.587  -1.753
  748    H    ASN 102           H        ASN 102   6.333   3.009  -5.631
  749    HA   ASN 102           HA       ASN 102   7.461   5.333  -4.565
  750   1HB   ASN 102          2HB       ASN 102   7.559   2.848  -3.740
  751   2HB   ASN 102          1HB       ASN 102   9.021   2.757  -4.722
  752   1HD2  ASN 102          1HD2      ASN 102  10.074   5.329  -4.309
  753   2HD2  ASN 102          2HD2      ASN 102  10.481   5.505  -2.673
  754    H    GLN 103           H        GLN 103   8.567   3.257  -7.211
  755    HA   GLN 103           HA       GLN 103  10.964   4.798  -7.654
  756   1HB   GLN 103          2HB       GLN 103  10.714   2.337  -8.167
  757   2HB   GLN 103          1HB       GLN 103   9.662   2.813  -9.502
  758   1HG   GLN 103          2HG       GLN 103  11.402   3.827 -10.700
  759   2HG   GLN 103          1HG       GLN 103  12.407   4.032  -9.269
  760   1HE2  GLN 103          1HE2      GLN 103  10.753   1.048 -10.430
  761   2HE2  GLN 103          2HE2      GLN 103  12.183   0.149 -10.588
  762    H    LYS 104           H        LYS 104   7.733   4.580  -9.067
  763    HA   LYS 104           HA       LYS 104   7.987   5.917 -11.442
  764   1HB   LYS 104          2HB       LYS 104   5.777   5.325 -10.968
  765   2HB   LYS 104          1HB       LYS 104   5.837   5.994  -9.343
  766   1HG   LYS 104          2HG       LYS 104   5.478   8.193 -10.081
  767   2HG   LYS 104          1HG       LYS 104   6.092   7.852 -11.700
  768   1HD   LYS 104          2HD       LYS 104   4.097   6.545 -12.224
  769   2HD   LYS 104          1HD       LYS 104   3.498   6.752 -10.577
  770   1HE   LYS 104          2HE       LYS 104   2.409   8.358 -12.087
  771   2HE   LYS 104          1HE       LYS 104   3.427   9.204 -10.922
  772   1HZ   LYS 104          1HZ       LYS 104   3.557   9.699 -13.490
  773   2HZ   LYS 104          2HZ       LYS 104   4.643   8.394 -13.452
  774   3HZ   LYS 104          3HZ       LYS 104   4.934   9.771 -12.500
  775    H    TYR 105           H        TYR 105   7.685   7.385  -8.237
  776    HA   TYR 105           HA       TYR 105   8.601   9.973  -9.352
  777   1HB   TYR 105          2HB       TYR 105   6.778   9.177  -7.192
  778   2HB   TYR 105          1HB       TYR 105   7.939  10.392  -6.662
  779    HD1  TYR 105           1HD      TYR 105   4.784   9.984  -8.123
  780    HD2  TYR 105           2HD      TYR 105   8.368  12.309  -8.540
  781    HE1  TYR 105           1HE      TYR 105   3.515  11.707  -9.349
  782    HE2  TYR 105           2HE      TYR 105   7.092  14.051  -9.760
  783    HH   TYR 105           HH       TYR 105   4.685  13.847 -11.254
  784    H    GLY 106           H        GLY 106   9.514   7.347  -7.277
  785   1HA   GLY 106          2HA       GLY 106  11.358   8.346  -5.546
  786   2HA   GLY 106          1HA       GLY 106  11.591   6.832  -6.406
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1 -15.937 -22.226   5.072
    2   2H    ALA   1          2HT       ALA   1 -14.709 -22.028   6.228
    3   3H    ALA   1          3HT       ALA   1 -14.858 -20.924   4.946
    4    HA   ALA   1           HA       ALA   1 -17.314 -20.863   6.125
    5   1HB   ALA   1          1HB       ALA   1 -16.817 -20.489   8.508
    6   2HB   ALA   1          2HB       ALA   1 -15.124 -20.892   8.225
    7   3HB   ALA   1          3HB       ALA   1 -16.368 -22.126   8.033
    8    H    ASP   2           H        ASP   2 -14.193 -19.481   7.179
    9    HA   ASP   2           HA       ASP   2 -15.171 -16.790   6.757
   10   1HB   ASP   2          2HB       ASP   2 -12.819 -16.178   7.454
   11   2HB   ASP   2          1HB       ASP   2 -13.734 -17.109   8.639
   12    H    LEU   3           H        LEU   3 -14.371 -15.288   5.278
   13    HA   LEU   3           HA       LEU   3 -13.273 -16.464   2.808
   14   1HB   LEU   3          2HB       LEU   3 -14.064 -13.578   2.918
   15   2HB   LEU   3          1HB       LEU   3 -14.338 -14.773   1.651
   16    HG   LEU   3           HG       LEU   3 -15.814 -14.644   4.297
   17   1HD1  LEU   3          1HD1      LEU   3 -16.684 -13.956   1.475
   18   2HD1  LEU   3          2HD1      LEU   3 -16.401 -12.801   2.778
   19   3HD1  LEU   3          3HD1      LEU   3 -17.729 -13.955   2.896
   20   1HD2  LEU   3          1HD2      LEU   3 -15.682 -16.940   3.484
   21   2HD2  LEU   3          2HD2      LEU   3 -16.112 -16.427   1.855
   22   3HD2  LEU   3          3HD2      LEU   3 -17.301 -16.329   3.153
   23    H    GLU   4           H        GLU   4 -12.224 -15.007   5.576
   24    HA   GLU   4           HA       GLU   4  -9.623 -14.429   4.456
   25   1HB   GLU   4          2HB       GLU   4  -9.859 -12.038   5.673
   26   2HB   GLU   4          1HB       GLU   4 -10.278 -12.270   3.980
   27   1HG   GLU   4          2HG       GLU   4 -12.580 -12.318   4.405
   28   2HG   GLU   4          1HG       GLU   4 -12.367 -12.709   6.107
   29    H    ASP   5           H        ASP   5 -10.452 -12.646   7.273
   30    HA   ASP   5           HA       ASP   5  -9.415 -14.801   9.032
   31   1HB   ASP   5          2HB       ASP   5  -8.720 -11.856   9.085
   32   2HB   ASP   5          1HB       ASP   5  -8.225 -13.036  10.299
   33    H    ASN   6           H        ASN   6 -10.198 -14.818  11.153
   34    HA   ASN   6           HA       ASN   6 -12.146 -12.863  12.033
   35   1HB   ASN   6          2HB       ASN   6 -12.993 -15.692  11.370
   36   2HB   ASN   6          1HB       ASN   6 -13.957 -14.560  12.318
   37   1HD2  ASN   6          1HD2      ASN   6 -12.601 -15.125   9.067
   38   2HD2  ASN   6          2HD2      ASN   6 -13.641 -14.045   8.271
   39    H    ASP   7           H        ASP   7 -12.000 -16.301  12.838
   40    HA   ASP   7           HA       ASP   7 -11.698 -15.776  15.625
   41   1HB   ASP   7          2HB       ASP   7 -11.287 -18.353  14.089
   42   2HB   ASP   7          1HB       ASP   7 -11.478 -18.210  15.836
   43    H    GLU   8           H        GLU   8  -9.511 -17.364  13.292
   44    HA   GLU   8           HA       GLU   8  -7.205 -15.970  14.177
   45   1HB   GLU   8          2HB       GLU   8  -6.043 -17.907  15.251
   46   2HB   GLU   8          1HB       GLU   8  -7.406 -17.298  16.191
   47   1HG   GLU   8          2HG       GLU   8  -8.842 -19.072  15.153
   48   2HG   GLU   8          1HG       GLU   8  -7.401 -19.727  14.378
   49    H    THR   9           H        THR   9  -5.614 -16.183  12.649
   50    HA   THR   9           HA       THR   9  -5.367 -18.573  11.040
   51    HB   THR   9           HB       THR   9  -6.163 -15.986   9.686
   52    HG1  THR   9           1HG      THR   9  -7.591 -18.147  10.648
   53   1HG2  THR   9          1HG2      THR   9  -4.687 -17.359   8.328
   54   2HG2  THR   9          2HG2      THR   9  -6.328 -17.493   7.698
   55   3HG2  THR   9          3HG2      THR   9  -5.649 -18.795   8.674
   56    H    GLY  10           H        GLY  10  -4.514 -15.187  11.570
   57   1HA   GLY  10          2HA       GLY  10  -1.746 -15.663  11.738
   58   2HA   GLY  10          1HA       GLY  10  -2.115 -15.112  10.106
   59    H    ASN  11           H        ASN  11  -4.385 -13.866  12.204
   60    HA   ASN  11           HA       ASN  11  -3.297 -11.202  11.977
   61   1HB   ASN  11          2HB       ASN  11  -5.384 -10.613  13.309
   62   2HB   ASN  11          1HB       ASN  11  -5.656 -11.374  11.744
   63   1HD2  ASN  11          1HD2      ASN  11  -4.470 -13.315  14.435
   64   2HD2  ASN  11          2HD2      ASN  11  -5.915 -14.168  14.690
   65    H    ASP  12           H        ASP  12  -3.793  -9.857  14.182
   66    HA   ASP  12           HA       ASP  12  -1.702 -10.642  15.967
   67   1HB   ASP  12          2HB       ASP  12  -2.388  -8.654  17.265
   68   2HB   ASP  12          1HB       ASP  12  -2.188  -8.284  15.553
   69    H    ASN  13           H        ASN  13  -3.260 -12.796  16.001
   70    HA   ASN  13           HA       ASN  13  -4.134 -12.928  18.759
   71   1HB   ASN  13          2HB       ASN  13  -6.145 -12.080  17.495
   72   2HB   ASN  13          1HB       ASN  13  -6.130 -13.591  16.587
   73   1HD2  ASN  13          1HD2      ASN  13  -6.659 -12.203  19.815
   74   2HD2  ASN  13          2HD2      ASN  13  -7.406 -13.579  20.466
   75    H    GLY  14           H        GLY  14  -2.253 -14.135  16.671
   76   1HA   GLY  14          2HA       GLY  14  -2.195 -16.765  17.708
   77   2HA   GLY  14          1HA       GLY  14  -2.939 -16.789  16.111
   78    H    LYS  15           H        LYS  15  -0.171 -17.502  17.460
   79    HA   LYS  15           HA       LYS  15   1.406 -16.767  15.095
   80   1HB   LYS  15          2HB       LYS  15   2.551 -16.342  17.854
   81   2HB   LYS  15          1HB       LYS  15   3.188 -15.796  16.305
   82   1HG   LYS  15          2HG       LYS  15   1.157 -14.339  16.045
   83   2HG   LYS  15          1HG       LYS  15   0.663 -14.815  17.668
   84   1HD   LYS  15          2HD       LYS  15   1.796 -12.834  18.133
   85   2HD   LYS  15          1HD       LYS  15   3.098 -14.004  18.331
   86   1HE   LYS  15          2HE       LYS  15   3.886 -12.143  16.966
   87   2HE   LYS  15          1HE       LYS  15   3.774 -13.582  15.957
   88   1HZ   LYS  15          1HZ       LYS  15   1.298 -12.451  15.798
   89   2HZ   LYS  15          2HZ       LYS  15   2.517 -12.358  14.619
   90   3HZ   LYS  15          3HZ       LYS  15   2.344 -11.117  15.766
   91    H    GLY  16           H        GLY  16   0.276 -19.243  15.837
   92   1HA   GLY  16          2HA       GLY  16   2.299 -20.870  17.113
   93   2HA   GLY  16          1HA       GLY  16   0.807 -21.441  16.372
   94    H    GLY  17           H        GLY  17   3.292 -19.429  14.865
   95   1HA   GLY  17          2HA       GLY  17   4.590 -21.532  13.450
   96   2HA   GLY  17          1HA       GLY  17   3.367 -20.770  12.438
   97    H    GLU  18           H        GLU  18   6.002 -19.821  14.659
   98    HA   GLU  18           HA       GLU  18   6.415 -17.259  13.575
   99   1HB   GLU  18          2HB       GLU  18   8.801 -17.636  14.569
  100   2HB   GLU  18          1HB       GLU  18   7.417 -17.595  15.660
  101   1HG   GLU  18          2HG       GLU  18   7.362 -19.965  15.853
  102   2HG   GLU  18          1HG       GLU  18   8.441 -20.179  14.477
  103    H    LYS  19           H        LYS  19   6.516 -17.174  11.393
  104    HA   LYS  19           HA       LYS  19   7.166 -17.742   9.224
  105   1HB   LYS  19          2HB       LYS  19   9.263 -16.715   8.745
  106   2HB   LYS  19          1HB       LYS  19   8.539 -15.814  10.071
  107   1HG   LYS  19          2HG       LYS  19   9.939 -17.405  11.603
  108   2HG   LYS  19          1HG       LYS  19  10.858 -17.740  10.145
  109   1HD   LYS  19          2HD       LYS  19  11.968 -15.941  11.289
  110   2HD   LYS  19          1HD       LYS  19  11.189 -15.261   9.864
  111   1HE   LYS  19          2HE       LYS  19   9.651 -14.065  11.117
  112   2HE   LYS  19          1HE       LYS  19   9.591 -15.270  12.403
  113   1HZ   LYS  19          1HZ       LYS  19  12.181 -14.136  12.201
  114   2HZ   LYS  19          2HZ       LYS  19  11.126 -14.174  13.531
  115   3HZ   LYS  19          3HZ       LYS  19  11.019 -12.916  12.393
  116    H    ALA  20           H        ALA  20   9.876 -18.475   8.446
  117    HA   ALA  20           HA       ALA  20  10.324 -21.138   9.511
  118   1HB   ALA  20          1HB       ALA  20   8.441 -21.345   7.806
  119   2HB   ALA  20          2HB       ALA  20   9.851 -22.369   7.538
  120   3HB   ALA  20          3HB       ALA  20   9.630 -20.906   6.582
  121    H    ASP  21           H        ASP  21  11.060 -19.936   6.241
  122    HA   ASP  21           HA       ASP  21  13.740 -19.146   6.990
  123   1HB   ASP  21          2HB       ASP  21  14.855 -20.851   5.574
  124   2HB   ASP  21          1HB       ASP  21  14.051 -21.545   6.981
  125    H    ASN  22           H        ASN  22  12.070 -20.427   4.081
  126    HA   ASN  22           HA       ASN  22  12.975 -18.020   2.604
  127   1HB   ASN  22          2HB       ASN  22  12.531 -19.489   0.574
  128   2HB   ASN  22          1HB       ASN  22  13.897 -19.944   1.587
  129   1HD2  ASN  22          1HD2      ASN  22  12.471 -21.809  -0.133
  130   2HD2  ASN  22          2HD2      ASN  22  11.737 -22.962   0.873
  131    H    ALA  23           H        ALA  23  10.384 -20.326   1.840
  132    HA   ALA  23           HA       ALA  23   8.671 -18.510   0.676
  133   1HB   ALA  23          1HB       ALA  23   8.380 -20.963   0.570
  134   2HB   ALA  23          2HB       ALA  23   6.891 -20.147   1.050
  135   3HB   ALA  23          3HB       ALA  23   7.877 -20.966   2.262
  136    H    ALA  24           H        ALA  24   8.465 -19.709   4.029
  137    HA   ALA  24           HA       ALA  24   6.368 -18.064   4.864
  138   1HB   ALA  24          1HB       ALA  24   8.672 -18.777   6.671
  139   2HB   ALA  24          2HB       ALA  24   7.524 -19.996   6.118
  140   3HB   ALA  24          3HB       ALA  24   6.961 -18.625   7.071
  141    H    GLN  25           H        GLN  25   9.852 -17.518   5.419
  142    HA   GLN  25           HA       GLN  25   9.859 -15.044   6.520
  143   1HB   GLN  25          2HB       GLN  25  11.801 -16.591   5.744
  144   2HB   GLN  25          1HB       GLN  25  11.735 -15.676   4.246
  145   1HG   GLN  25          2HG       GLN  25  12.345 -13.656   5.296
  146   2HG   GLN  25          1HG       GLN  25  11.933 -14.249   6.903
  147   1HE2  GLN  25          1HE2      GLN  25  13.297 -16.470   7.375
  148   2HE2  GLN  25          2HE2      GLN  25  14.959 -16.310   7.060
  149    H    VAL  26           H        VAL  26   9.854 -15.656   3.006
  150    HA   VAL  26           HA       VAL  26   9.642 -12.962   2.222
  151    HB   VAL  26           HB       VAL  26   8.990 -15.576   0.853
  152   1HG1  VAL  26          1HG1      VAL  26   7.466 -14.064  -0.192
  153   2HG1  VAL  26          2HG1      VAL  26   8.874 -14.131  -1.255
  154   3HG1  VAL  26          3HG1      VAL  26   8.646 -12.751  -0.180
  155   1HG2  VAL  26          1HG2      VAL  26  10.970 -14.863  -0.513
  156   2HG2  VAL  26          2HG2      VAL  26  11.353 -15.078   1.192
  157   3HG2  VAL  26          3HG2      VAL  26  11.145 -13.458   0.531
  158    H    LYS  27           H        LYS  27   7.058 -15.439   2.217
  159    HA   LYS  27           HA       LYS  27   4.895 -14.004   1.530
  160   1HB   LYS  27          2HB       LYS  27   5.328 -16.426   2.803
  161   2HB   LYS  27          1HB       LYS  27   4.323 -15.565   3.960
  162   1HG   LYS  27          2HG       LYS  27   2.726 -15.063   2.071
  163   2HG   LYS  27          1HG       LYS  27   3.697 -16.121   1.047
  164   1HD   LYS  27          2HD       LYS  27   2.330 -16.937   3.632
  165   2HD   LYS  27          1HD       LYS  27   1.776 -17.342   2.008
  166   1HE   LYS  27          2HE       LYS  27   4.181 -18.354   1.718
  167   2HE   LYS  27          1HE       LYS  27   4.197 -18.350   3.482
  168   1HZ   LYS  27          1HZ       LYS  27   2.334 -19.762   1.673
  169   2HZ   LYS  27          2HZ       LYS  27   1.973 -19.507   3.313
  170   3HZ   LYS  27          3HZ       LYS  27   3.336 -20.419   2.872
  171    H    ASP  28           H        ASP  28   5.936 -14.223   4.941
  172    HA   ASP  28           HA       ASP  28   4.169 -12.322   5.967
  173   1HB   ASP  28          2HB       ASP  28   5.543 -13.831   7.363
  174   2HB   ASP  28          1HB       ASP  28   6.983 -12.922   6.909
  175    H    ALA  29           H        ALA  29   7.174 -11.959   4.233
  176    HA   ALA  29           HA       ALA  29   7.549  -9.188   4.870
  177   1HB   ALA  29          1HB       ALA  29   8.704 -10.517   2.429
  178   2HB   ALA  29          2HB       ALA  29   9.298 -10.926   4.037
  179   3HB   ALA  29          3HB       ALA  29   9.408  -9.265   3.452
  180    H    LEU  30           H        LEU  30   5.491 -10.895   2.699
  181    HA   LEU  30           HA       LEU  30   5.275  -8.731   0.776
  182   1HB   LEU  30          2HB       LEU  30   3.484 -11.136   1.193
  183   2HB   LEU  30          1HB       LEU  30   3.483 -10.069  -0.210
  184    HG   LEU  30           HG       LEU  30   5.875 -11.714   0.684
  185   1HD1  LEU  30          1HD1      LEU  30   3.794 -12.961  -0.194
  186   2HD1  LEU  30          2HD1      LEU  30   5.335 -13.296  -0.975
  187   3HD1  LEU  30          3HD1      LEU  30   4.170 -12.222  -1.748
  188   1HD2  LEU  30          1HD2      LEU  30   6.786  -9.959  -0.567
  189   2HD2  LEU  30          2HD2      LEU  30   5.353  -9.797  -1.581
  190   3HD2  LEU  30          3HD2      LEU  30   6.464 -11.143  -1.830
  191    H    THR  31           H        THR  31   3.098 -10.131   3.250
  192    HA   THR  31           HA       THR  31   1.124  -8.114   2.984
  193    HB   THR  31           HB       THR  31   0.622 -10.221   4.090
  194    HG1  THR  31           1HG      THR  31  -0.117  -9.195   6.167
  195   1HG2  THR  31          1HG2      THR  31   2.923 -10.452   5.104
  196   2HG2  THR  31          2HG2      THR  31   1.599 -10.826   6.209
  197   3HG2  THR  31          3HG2      THR  31   2.428  -9.272   6.320
  198    H    LYS  32           H        LYS  32   4.171  -8.275   4.643
  199    HA   LYS  32           HA       LYS  32   3.889  -6.311   6.592
  200   1HB   LYS  32          2HB       LYS  32   5.986  -7.454   6.485
  201   2HB   LYS  32          1HB       LYS  32   6.237  -6.986   4.803
  202   1HG   LYS  32          2HG       LYS  32   6.646  -4.720   5.376
  203   2HG   LYS  32          1HG       LYS  32   5.975  -4.921   6.994
  204   1HD   LYS  32          2HD       LYS  32   7.854  -6.151   7.745
  205   2HD   LYS  32          1HD       LYS  32   8.417  -6.456   6.102
  206   1HE   LYS  32          2HE       LYS  32   9.289  -4.309   5.855
  207   2HE   LYS  32          1HE       LYS  32   8.173  -3.603   7.028
  208   1HZ   LYS  32          1HZ       LYS  32  10.779  -4.469   7.463
  209   2HZ   LYS  32          2HZ       LYS  32   9.768  -5.551   8.295
  210   3HZ   LYS  32          3HZ       LYS  32   9.674  -3.885   8.610
  211    H    MET  33           H        MET  33   4.983  -5.859   3.225
  212    HA   MET  33           HA       MET  33   4.964  -3.073   3.187
  213   1HB   MET  33          2HB       MET  33   4.404  -5.097   1.008
  214   2HB   MET  33          1HB       MET  33   4.493  -3.363   0.698
  215   1HG   MET  33          2HG       MET  33   6.777  -3.336   1.697
  216   2HG   MET  33          1HG       MET  33   6.687  -5.087   1.885
  217   1HE   MET  33          1HE       MET  33   5.838  -6.587  -0.120
  218   2HE   MET  33          2HE       MET  33   7.572  -6.677   0.182
  219   3HE   MET  33          3HE       MET  33   6.975  -6.606  -1.475
  220    H    ARG  34           H        ARG  34   2.391  -5.283   2.044
  221    HA   ARG  34           HA       ARG  34   0.343  -3.616   1.465
  222   1HB   ARG  34          2HB       ARG  34   0.293  -6.158   1.587
  223   2HB   ARG  34          1HB       ARG  34  -0.055  -5.979   3.301
  224   1HG   ARG  34          2HG       ARG  34  -2.088  -4.776   2.849
  225   2HG   ARG  34          1HG       ARG  34  -1.713  -4.679   1.125
  226   1HD   ARG  34          2HD       ARG  34  -2.188  -6.941   0.768
  227   2HD   ARG  34          1HD       ARG  34  -1.865  -7.392   2.444
  228    HE   ARG  34           HE       ARG  34  -4.374  -6.427   1.362
  229   1HH1  ARG  34          1HH2      ARG  34  -2.357  -6.786   4.149
  230   2HH1  ARG  34          2HH2      ARG  34  -3.670  -6.730   5.278
  231   1HH2  ARG  34          1HH1      ARG  34  -6.101  -6.355   2.834
  232   2HH2  ARG  34          2HH1      ARG  34  -5.790  -6.486   4.533
  233    H    ALA  35           H        ALA  35   0.654  -4.915   4.782
  234    HA   ALA  35           HA       ALA  35  -1.147  -3.151   5.976
  235   1HB   ALA  35          1HB       ALA  35  -0.082  -3.752   8.098
  236   2HB   ALA  35          2HB       ALA  35   1.309  -4.401   7.229
  237   3HB   ALA  35          3HB       ALA  35  -0.267  -5.178   7.077
  238    H    ALA  36           H        ALA  36   2.100  -2.631   4.914
  239    HA   ALA  36           HA       ALA  36   2.558  -0.277   6.530
  240   1HB   ALA  36          1HB       ALA  36   4.320  -1.919   5.490
  241   2HB   ALA  36          2HB       ALA  36   4.681  -0.196   5.572
  242   3HB   ALA  36          3HB       ALA  36   4.143  -0.912   4.055
  243    H    ALA  37           H        ALA  37   1.436  -1.044   3.298
  244    HA   ALA  37           HA       ALA  37   1.517   1.594   2.246
  245   1HB   ALA  37          1HB       ALA  37   1.321  -0.383   0.797
  246   2HB   ALA  37          2HB       ALA  37  -0.032   0.718   0.535
  247   3HB   ALA  37          3HB       ALA  37  -0.257  -0.746   1.494
  248    H    LEU  38           H        LEU  38  -1.025  -0.351   3.810
  249    HA   LEU  38           HA       LEU  38  -3.058   1.628   3.657
  250   1HB   LEU  38          2HB       LEU  38  -2.691  -0.529   5.747
  251   2HB   LEU  38          1HB       LEU  38  -4.186   0.336   5.404
  252    HG   LEU  38           HG       LEU  38  -2.709  -1.250   3.291
  253   1HD1  LEU  38          1HD1      LEU  38  -4.339  -3.068   3.733
  254   2HD1  LEU  38          2HD1      LEU  38  -4.948  -2.166   5.121
  255   3HD1  LEU  38          3HD1      LEU  38  -3.293  -2.774   5.121
  256   1HD2  LEU  38          1HD2      LEU  38  -5.480  -0.052   3.541
  257   2HD2  LEU  38          2HD2      LEU  38  -5.120  -1.317   2.369
  258   3HD2  LEU  38          3HD2      LEU  38  -4.279   0.227   2.281
  259    H    ASP  39           H        ASP  39  -0.637   0.890   6.121
  260    HA   ASP  39           HA       ASP  39  -1.449   2.704   8.094
  261   1HB   ASP  39          2HB       ASP  39   0.233   0.962   8.474
  262   2HB   ASP  39          1HB       ASP  39   1.340   1.773   7.369
  263    H    ALA  40           H        ALA  40   1.210   3.133   5.754
  264    HA   ALA  40           HA       ALA  40   1.694   5.827   6.224
  265   1HB   ALA  40          1HB       ALA  40   2.252   5.553   3.525
  266   2HB   ALA  40          2HB       ALA  40   2.276   3.883   4.084
  267   3HB   ALA  40          3HB       ALA  40   3.341   5.072   4.828
  268    H    GLN  41           H        GLN  41  -0.507   4.365   3.832
  269    HA   GLN  41           HA       GLN  41  -1.432   6.469   2.434
  270   1HB   GLN  41          2HB       GLN  41  -2.431   4.508   1.803
  271   2HB   GLN  41          1HB       GLN  41  -2.554   3.938   3.466
  272   1HG   GLN  41          2HG       GLN  41  -4.518   5.325   3.852
  273   2HG   GLN  41          1HG       GLN  41  -4.357   6.053   2.245
  274   1HE2  GLN  41          1HE2      GLN  41  -3.352   2.984   1.735
  275   2HE2  GLN  41          2HE2      GLN  41  -4.832   2.236   1.341
  276    H    LYS  42           H        LYS  42  -2.548   5.577   5.713
  277    HA   LYS  42           HA       LYS  42  -3.167   8.360   6.269
  278   1HB   LYS  42          2HB       LYS  42  -5.362   6.314   5.928
  279   2HB   LYS  42          1HB       LYS  42  -5.581   7.758   6.914
  280   1HG   LYS  42          2HG       LYS  42  -4.790   9.070   4.815
  281   2HG   LYS  42          1HG       LYS  42  -5.100   7.574   3.937
  282   1HD   LYS  42          2HD       LYS  42  -7.110   9.089   5.622
  283   2HD   LYS  42          1HD       LYS  42  -7.080   9.014   3.861
  284   1HE   LYS  42          2HE       LYS  42  -8.665   7.371   4.449
  285   2HE   LYS  42          1HE       LYS  42  -7.193   6.436   4.181
  286   1HZ   LYS  42          1HZ       LYS  42  -8.718   6.466   6.457
  287   2HZ   LYS  42          2HZ       LYS  42  -7.359   7.404   6.856
  288   3HZ   LYS  42          3HZ       LYS  42  -7.162   5.812   6.296
  289    H    ALA  43           H        ALA  43  -1.351   7.233   7.662
  290    HA   ALA  43           HA       ALA  43  -2.509   6.950  10.297
  291   1HB   ALA  43          1HB       ALA  43  -1.964   4.748  10.774
  292   2HB   ALA  43          2HB       ALA  43  -0.720   4.669   9.529
  293   3HB   ALA  43          3HB       ALA  43  -2.420   4.603   9.078
  294    H    THR  44           H        THR  44   0.479   6.250   8.491
  295    HA   THR  44           HA       THR  44   2.023   7.806  10.479
  296    HB   THR  44           HB       THR  44   2.918   5.615   8.601
  297    HG1  THR  44           1HG      THR  44   2.028   5.711  11.229
  298   1HG2  THR  44          1HG2      THR  44   4.809   6.963   8.945
  299   2HG2  THR  44          2HG2      THR  44   4.943   5.751  10.215
  300   3HG2  THR  44          3HG2      THR  44   4.341   7.363  10.598
  301    HA   PRO  45           HA       PRO  45   1.720  10.519   6.628
  302   1HB   PRO  45          2HB       PRO  45   3.049  12.103   8.819
  303   2HB   PRO  45          1HB       PRO  45   1.952  12.666   7.538
  304   1HG   PRO  45          2HG       PRO  45   1.035  12.222   9.985
  305   2HG   PRO  45          1HG       PRO  45   0.078  11.766   8.563
  306   1HD   PRO  45          2HD       PRO  45   1.510  10.012  10.490
  307   2HD   PRO  45          1HD       PRO  45   0.123   9.632   9.447
  308    HA   PRO  46           HA       PRO  46   6.140   9.320   6.192
  309   1HB   PRO  46          2HB       PRO  46   6.037   8.187   3.786
  310   2HB   PRO  46          1HB       PRO  46   5.258   7.399   5.172
  311   1HG   PRO  46          2HG       PRO  46   4.008   9.047   3.009
  312   2HG   PRO  46          1HG       PRO  46   3.463   7.523   3.705
  313   1HD   PRO  46          2HD       PRO  46   2.527  10.035   4.487
  314   2HD   PRO  46          1HD       PRO  46   2.408   8.565   5.480
  315    H    LYS  47           H        LYS  47   5.666   9.653   2.854
  316    HA   LYS  47           HA       LYS  47   7.439  11.871   2.643
  317   1HB   LYS  47          2HB       LYS  47   5.952  10.064   0.791
  318   2HB   LYS  47          1HB       LYS  47   6.419  11.628   0.127
  319   1HG   LYS  47          2HG       LYS  47   8.433   9.941   1.614
  320   2HG   LYS  47          1HG       LYS  47   8.082   9.622  -0.085
  321   1HD   LYS  47          2HD       LYS  47   8.887  11.709  -0.789
  322   2HD   LYS  47          1HD       LYS  47   8.702  12.430   0.810
  323   1HE   LYS  47          2HE       LYS  47  10.643  10.162   0.344
  324   2HE   LYS  47          1HE       LYS  47  11.102  11.832   0.019
  325   1HZ   LYS  47          1HZ       LYS  47   9.868  11.853   2.483
  326   2HZ   LYS  47          2HZ       LYS  47  11.528  12.029   2.168
  327   3HZ   LYS  47          3HZ       LYS  47  10.882  10.494   2.507
  328    H    LEU  48           H        LEU  48   4.010  11.493   2.770
  329    HA   LEU  48           HA       LEU  48   3.392  14.077   1.635
  330   1HB   LEU  48          2HB       LEU  48   1.517  12.504   3.397
  331   2HB   LEU  48          1HB       LEU  48   1.131  13.597   2.064
  332    HG   LEU  48           HG       LEU  48   2.591  10.951   1.724
  333   1HD1  LEU  48          1HD1      LEU  48   0.266  10.641   2.535
  334   2HD1  LEU  48          2HD1      LEU  48   0.475  10.073   0.879
  335   3HD1  LEU  48          3HD1      LEU  48  -0.315  11.618   1.187
  336   1HD2  LEU  48          1HD2      LEU  48   1.424  12.995  -0.183
  337   2HD2  LEU  48          2HD2      LEU  48   1.822  11.351  -0.680
  338   3HD2  LEU  48          3HD2      LEU  48   3.091  12.427  -0.097
  339    H    GLU  49           H        GLU  49   5.301  14.063   3.857
  340    HA   GLU  49           HA       GLU  49   4.209  14.879   6.289
  341   1HB   GLU  49          2HB       GLU  49   6.647  14.479   5.832
  342   2HB   GLU  49          1HB       GLU  49   6.694  16.035   5.002
  343   1HG   GLU  49          2HG       GLU  49   5.973  17.179   7.043
  344   2HG   GLU  49          1HG       GLU  49   5.834  15.635   7.882
  345    H    ASP  50           H        ASP  50   4.353  16.473   3.228
  346    HA   ASP  50           HA       ASP  50   2.644  18.605   4.175
  347   1HB   ASP  50          2HB       ASP  50   5.450  19.185   3.207
  348   2HB   ASP  50          1HB       ASP  50   4.177  20.399   3.313
  349    H    LYS  51           H        LYS  51   1.928  16.712   2.432
  350    HA   LYS  51           HA       LYS  51   1.755  18.174  -0.124
  351   1HB   LYS  51          2HB       LYS  51   2.231  15.192  -0.053
  352   2HB   LYS  51          1HB       LYS  51   2.276  16.270  -1.440
  353   1HG   LYS  51          2HG       LYS  51   4.277  17.384  -0.519
  354   2HG   LYS  51          1HG       LYS  51   4.213  16.333   0.890
  355   1HD   LYS  51          2HD       LYS  51   5.727  15.122  -0.377
  356   2HD   LYS  51          1HD       LYS  51   4.237  14.411  -0.987
  357   1HE   LYS  51          2HE       LYS  51   6.102  16.354  -2.314
  358   2HE   LYS  51          1HE       LYS  51   5.296  14.940  -2.990
  359   1HZ   LYS  51          1HZ       LYS  51   3.213  16.136  -2.955
  360   2HZ   LYS  51          2HZ       LYS  51   4.372  17.008  -3.837
  361   3HZ   LYS  51          3HZ       LYS  51   3.960  17.491  -2.263
  362    H    SER  52           H        SER  52  -0.168  18.030   1.916
  363    HA   SER  52           HA       SER  52  -2.021  16.057   1.956
  364   1HB   SER  52          2HB       SER  52  -1.935  18.681   2.802
  365   2HB   SER  52          1HB       SER  52  -3.310  18.692   1.705
  366    HG   SER  52           HG       SER  52  -2.850  17.088   3.992
  367    HA   PRO  53           HA       PRO  53  -4.298  15.550  -1.794
  368   1HB   PRO  53          2HB       PRO  53  -6.774  16.879  -0.779
  369   2HB   PRO  53          1HB       PRO  53  -6.547  15.226  -1.381
  370   1HG   PRO  53          2HG       PRO  53  -6.865  15.712   1.215
  371   2HG   PRO  53          1HG       PRO  53  -5.750  14.456   0.646
  372   1HD   PRO  53          2HD       PRO  53  -5.122  17.212   1.669
  373   2HD   PRO  53          1HD       PRO  53  -4.263  15.681   1.947
  374    H    ASP  54           H        ASP  54  -2.780  17.912  -1.816
  375    HA   ASP  54           HA       ASP  54  -4.454  19.909  -3.222
  376   1HB   ASP  54          2HB       ASP  54  -2.645  21.466  -2.864
  377   2HB   ASP  54          1HB       ASP  54  -3.044  20.690  -1.334
  378    H    SER  55           H        SER  55  -1.217  18.458  -3.485
  379    HA   SER  55           HA       SER  55  -1.115  18.964  -6.356
  380   1HB   SER  55          2HB       SER  55   1.032  17.384  -5.024
  381   2HB   SER  55          1HB       SER  55   1.164  18.793  -6.080
  382    HG   SER  55           HG       SER  55   1.453  19.864  -4.313
  383    HA   PRO  56           HA       PRO  56  -1.916  14.857  -7.859
  384   1HB   PRO  56          2HB       PRO  56   0.964  14.071  -8.116
  385   2HB   PRO  56          1HB       PRO  56  -0.322  14.070  -9.342
  386   1HG   PRO  56          2HG       PRO  56   1.560  15.933  -9.371
  387   2HG   PRO  56          1HG       PRO  56  -0.126  16.347  -9.733
  388   1HD   PRO  56          2HD       PRO  56   1.422  16.807  -7.206
  389   2HD   PRO  56          1HD       PRO  56   0.257  17.881  -8.015
  390    H    GLU  57           H        GLU  57  -0.987  15.255  -4.872
  391    HA   GLU  57           HA       GLU  57   0.182  12.988  -3.829
  392   1HB   GLU  57          2HB       GLU  57  -0.361  14.740  -2.315
  393   2HB   GLU  57          1HB       GLU  57  -2.060  14.723  -2.772
  394   1HG   GLU  57          2HG       GLU  57  -2.399  12.568  -1.701
  395   2HG   GLU  57          1HG       GLU  57  -0.668  12.388  -1.414
  396    H    MET  58           H        MET  58  -3.318  13.491  -3.907
  397    HA   MET  58           HA       MET  58  -4.217  10.984  -3.373
  398   1HB   MET  58          2HB       MET  58  -5.423  12.734  -5.520
  399   2HB   MET  58          1HB       MET  58  -6.244  11.539  -4.510
  400   1HG   MET  58          2HG       MET  58  -5.698  12.890  -2.495
  401   2HG   MET  58          1HG       MET  58  -4.930  14.110  -3.518
  402   1HE   MET  58          1HE       MET  58  -8.059  11.952  -3.051
  403   2HE   MET  58          2HE       MET  58  -9.350  13.146  -2.948
  404   3HE   MET  58          3HE       MET  58  -8.083  13.122  -1.724
  405    H    LYS  59           H        LYS  59  -3.420  12.232  -6.602
  406    HA   LYS  59           HA       LYS  59  -3.918   9.899  -8.065
  407   1HB   LYS  59          2HB       LYS  59  -1.821  12.042  -8.500
  408   2HB   LYS  59          1HB       LYS  59  -2.199  10.790  -9.676
  409   1HG   LYS  59          2HG       LYS  59  -4.454  12.462  -8.582
  410   2HG   LYS  59          1HG       LYS  59  -3.390  13.169  -9.795
  411   1HD   LYS  59          2HD       LYS  59  -3.864  11.313 -11.326
  412   2HD   LYS  59          1HD       LYS  59  -4.873  10.538 -10.104
  413   1HE   LYS  59          2HE       LYS  59  -6.495  12.283 -10.193
  414   2HE   LYS  59          1HE       LYS  59  -5.415  13.337 -11.107
  415   1HZ   LYS  59          1HZ       LYS  59  -7.291  11.857 -12.242
  416   2HZ   LYS  59          2HZ       LYS  59  -6.008  10.745 -12.288
  417   3HZ   LYS  59          3HZ       LYS  59  -5.845  12.266 -13.027
  418    H    ASP  60           H        ASP  60  -1.191  10.876  -6.106
  419    HA   ASP  60           HA       ASP  60   0.454   8.617  -6.839
  420   1HB   ASP  60          2HB       ASP  60   1.270  10.926  -6.138
  421   2HB   ASP  60          1HB       ASP  60   0.869  10.456  -4.488
  422    H    PHE  61           H        PHE  61  -1.674   9.489  -4.132
  423    HA   PHE  61           HA       PHE  61  -0.931   7.175  -2.584
  424   1HB   PHE  61          2HB       PHE  61  -1.775   8.788  -1.137
  425   2HB   PHE  61          1HB       PHE  61  -2.964   9.362  -2.295
  426    HD1  PHE  61           1HD      PHE  61  -4.977   9.245  -1.036
  427    HD2  PHE  61           2HD      PHE  61  -2.390   5.823  -1.214
  428    HE1  PHE  61           1HE      PHE  61  -6.743   7.862   0.002
  429    HE2  PHE  61           2HE      PHE  61  -4.160   4.439  -0.179
  430    HZ   PHE  61           HZ       PHE  61  -6.339   5.458   0.429
  431    H    ARG  62           H        ARG  62  -4.010   8.105  -4.199
  432    HA   ARG  62           HA       ARG  62  -5.327   5.704  -4.100
  433   1HB   ARG  62          2HB       ARG  62  -5.214   7.839  -6.217
  434   2HB   ARG  62          1HB       ARG  62  -6.098   6.356  -6.552
  435   1HG   ARG  62          2HG       ARG  62  -7.498   8.219  -5.570
  436   2HG   ARG  62          1HG       ARG  62  -7.561   6.703  -4.675
  437   1HD   ARG  62          2HD       ARG  62  -6.172   7.533  -2.953
  438   2HD   ARG  62          1HD       ARG  62  -5.598   8.869  -3.944
  439    HE   ARG  62           HE       ARG  62  -7.439  10.077  -3.246
  440   1HH1  ARG  62          1HH2      ARG  62  -7.982   6.684  -2.843
  441   2HH1  ARG  62          2HH2      ARG  62  -9.511   6.881  -2.055
  442   1HH2  ARG  62          1HH1      ARG  62  -9.444  10.345  -2.214
  443   2HH2  ARG  62          2HH1      ARG  62 -10.339   8.956  -1.699
  444    H    HIS  63           H        HIS  63  -2.773   6.603  -6.415
  445    HA   HIS  63           HA       HIS  63  -2.844   3.954  -7.593
  446   1HB   HIS  63          2HB       HIS  63  -2.247   6.073  -8.844
  447   2HB   HIS  63          1HB       HIS  63  -0.709   6.058  -7.982
  448    HD1  HIS  63           1HD      HIS  63  -2.405   2.894  -9.119
  449    HD2  HIS  63           2HD      HIS  63   0.809   5.293 -10.256
  450    HE1  HIS  63           1HE      HIS  63  -1.120   1.588 -10.868
  451    HE2  HIS  63           2HE      HIS  63   0.844   3.037 -11.571
  452    H    GLY  64           H        GLY  64  -0.212   5.801  -6.044
  453   1HA   GLY  64          2HA       GLY  64   1.672   3.942  -5.640
  454   2HA   GLY  64          1HA       GLY  64   1.280   5.100  -4.385
  455    H    PHE  65           H        PHE  65  -1.428   3.999  -3.901
  456    HA   PHE  65           HA       PHE  65  -0.576   1.838  -2.146
  457   1HB   PHE  65          2HB       PHE  65  -2.249   2.699  -0.873
  458   2HB   PHE  65          1HB       PHE  65  -2.825   3.687  -2.199
  459    HD1  PHE  65           1HD      PHE  65  -4.399   2.593  -3.918
  460    HD2  PHE  65           2HD      PHE  65  -3.445   0.780  -0.157
  461    HE1  PHE  65           1HE      PHE  65  -6.368   1.157  -4.141
  462    HE2  PHE  65           2HE      PHE  65  -5.442  -0.676  -0.375
  463    HZ   PHE  65           HZ       PHE  65  -6.894  -0.473  -2.376
  464    H    ASP  66           H        ASP  66  -2.575   2.235  -5.031
  465    HA   ASP  66           HA       ASP  66  -3.424  -0.466  -5.248
  466   1HB   ASP  66          2HB       ASP  66  -4.527   1.323  -6.494
  467   2HB   ASP  66          1HB       ASP  66  -3.035   1.682  -7.366
  468    H    ILE  67           H        ILE  67  -0.614   1.319  -6.362
  469    HA   ILE  67           HA       ILE  67   0.538  -0.567  -8.075
  470    HB   ILE  67           HB       ILE  67   1.829   1.508  -6.276
  471   1HG1  ILE  67          2HG1      ILE  67   1.165   1.561  -9.236
  472   2HG1  ILE  67          1HG1      ILE  67   0.173   2.297  -7.981
  473   1HG2  ILE  67          1HG2      ILE  67   3.720   1.304  -7.950
  474   2HG2  ILE  67          2HG2      ILE  67   2.930  -0.145  -8.573
  475   3HG2  ILE  67          3HG2      ILE  67   3.519  -0.107  -6.912
  476   1HD1  ILE  67          1HD1      ILE  67   1.480   4.134  -7.965
  477   2HD1  ILE  67          2HD1      ILE  67   2.378   3.461  -9.322
  478   3HD1  ILE  67          3HD1      ILE  67   2.928   3.168  -7.673
  479    H    LEU  68           H        LEU  68   1.536   0.180  -4.753
  480    HA   LEU  68           HA       LEU  68   3.139  -2.072  -4.375
  481   1HB   LEU  68          2HB       LEU  68   1.780  -0.106  -2.605
  482   2HB   LEU  68          1HB       LEU  68   2.284  -1.613  -1.840
  483    HG   LEU  68           HG       LEU  68   4.597  -1.231  -2.876
  484   1HD1  LEU  68          1HD1      LEU  68   4.028   0.349  -4.615
  485   2HD1  LEU  68          2HD1      LEU  68   5.082   1.168  -3.462
  486   3HD1  LEU  68          3HD1      LEU  68   3.345   1.471  -3.438
  487   1HD2  LEU  68          1HD2      LEU  68   3.482   0.728  -0.856
  488   2HD2  LEU  68          2HD2      LEU  68   5.196   0.592  -1.235
  489   3HD2  LEU  68          3HD2      LEU  68   4.340  -0.781  -0.544
  490    H    VAL  69           H        VAL  69  -0.289  -1.608  -3.505
  491    HA   VAL  69           HA       VAL  69  -0.728  -4.189  -2.497
  492    HB   VAL  69           HB       VAL  69  -2.583  -2.144  -3.725
  493   1HG1  VAL  69          1HG1      VAL  69  -4.328  -3.428  -2.441
  494   2HG1  VAL  69          2HG1      VAL  69  -3.140  -4.723  -2.278
  495   3HG1  VAL  69          3HG1      VAL  69  -3.702  -4.227  -3.879
  496   1HG2  VAL  69          1HG2      VAL  69  -2.999  -1.460  -1.483
  497   2HG2  VAL  69          2HG2      VAL  69  -1.248  -1.648  -1.572
  498   3HG2  VAL  69          3HG2      VAL  69  -2.232  -2.900  -0.817
  499    H    GLY  70           H        GLY  70  -0.516  -2.964  -5.741
  500   1HA   GLY  70          2HA       GLY  70  -1.889  -5.212  -6.957
  501   2HA   GLY  70          1HA       GLY  70  -1.032  -3.926  -7.801
  502    H    GLN  71           H        GLN  71   1.438  -4.179  -6.379
  503    HA   GLN  71           HA       GLN  71   2.594  -6.375  -7.862
  504   1HB   GLN  71          2HB       GLN  71   3.857  -4.449  -5.891
  505   2HB   GLN  71          1HB       GLN  71   4.722  -5.549  -6.965
  506   1HG   GLN  71          2HG       GLN  71   3.971  -4.405  -8.910
  507   2HG   GLN  71          1HG       GLN  71   2.760  -3.509  -8.002
  508   1HE2  GLN  71          1HE2      GLN  71   4.509  -2.770  -5.772
  509   2HE2  GLN  71          2HE2      GLN  71   5.634  -1.661  -6.384
  510    H    ILE  72           H        ILE  72   2.026  -5.512  -4.498
  511    HA   ILE  72           HA       ILE  72   3.285  -7.544  -3.126
  512    HB   ILE  72           HB       ILE  72   0.824  -5.909  -2.728
  513   1HG1  ILE  72          2HG1      ILE  72   2.882  -6.519  -0.612
  514   2HG1  ILE  72          1HG1      ILE  72   3.338  -5.504  -1.973
  515   1HG2  ILE  72          1HG2      ILE  72  -0.124  -7.994  -1.997
  516   2HG2  ILE  72          2HG2      ILE  72   0.337  -7.106  -0.547
  517   3HG2  ILE  72          3HG2      ILE  72   1.349  -8.429  -1.128
  518   1HD1  ILE  72          1HD1      ILE  72   0.869  -4.980  -0.323
  519   2HD1  ILE  72          2HD1      ILE  72   1.643  -3.901  -1.474
  520   3HD1  ILE  72          3HD1      ILE  72   2.436  -4.267   0.048
  521    H    ASP  73           H        ASP  73  -0.016  -7.649  -4.483
  522    HA   ASP  73           HA       ASP  73  -0.524 -10.358  -3.950
  523   1HB   ASP  73          2HB       ASP  73  -2.241  -8.725  -4.711
  524   2HB   ASP  73          1HB       ASP  73  -1.502  -8.729  -6.311
  525    H    ASP  74           H        ASP  74   0.653  -8.833  -6.952
  526    HA   ASP  74           HA       ASP  74   1.113 -11.063  -8.494
  527   1HB   ASP  74          2HB       ASP  74   1.427  -8.589  -9.093
  528   2HB   ASP  74          1HB       ASP  74   3.041  -8.748  -8.402
  529    H    ALA  75           H        ALA  75   2.959  -9.841  -5.783
  530    HA   ALA  75           HA       ALA  75   5.345 -11.277  -6.230
  531   1HB   ALA  75          1HB       ALA  75   4.850  -9.357  -4.553
  532   2HB   ALA  75          2HB       ALA  75   5.970 -10.629  -4.065
  533   3HB   ALA  75          3HB       ALA  75   4.308 -10.644  -3.478
  534    H    LEU  76           H        LEU  76   2.896 -11.963  -3.719
  535    HA   LEU  76           HA       LEU  76   3.729 -14.572  -3.166
  536   1HB   LEU  76          2HB       LEU  76   2.125 -13.451  -1.734
  537   2HB   LEU  76          1HB       LEU  76   0.951 -13.381  -3.044
  538    HG   LEU  76           HG       LEU  76   1.945 -16.141  -2.501
  539   1HD1  LEU  76          1HD1      LEU  76   0.228 -14.747  -0.418
  540   2HD1  LEU  76          2HD1      LEU  76   1.913 -15.210  -0.187
  541   3HD1  LEU  76          3HD1      LEU  76   0.683 -16.451  -0.430
  542   1HD2  LEU  76          1HD2      LEU  76  -0.426 -16.674  -2.710
  543   2HD2  LEU  76          2HD2      LEU  76   0.014 -15.549  -3.993
  544   3HD2  LEU  76          3HD2      LEU  76  -0.861 -14.970  -2.576
  545    H    LYS  77           H        LYS  77   1.255 -13.416  -5.404
  546    HA   LYS  77           HA       LYS  77   0.170 -15.629  -6.518
  547   1HB   LYS  77          2HB       LYS  77  -0.141 -13.199  -7.141
  548   2HB   LYS  77          1HB       LYS  77   1.311 -13.329  -8.116
  549   1HG   LYS  77          2HG       LYS  77  -0.996 -15.238  -8.491
  550   2HG   LYS  77          1HG       LYS  77  -1.008 -13.656  -9.253
  551   1HD   LYS  77          2HD       LYS  77   0.299 -14.441 -10.937
  552   2HD   LYS  77          1HD       LYS  77   1.585 -14.786  -9.786
  553   1HE   LYS  77          2HE       LYS  77   1.175 -16.880 -10.768
  554   2HE   LYS  77          1HE       LYS  77   0.217 -16.966  -9.288
  555   1HZ   LYS  77          1HZ       LYS  77  -1.449 -15.795 -11.098
  556   2HZ   LYS  77          2HZ       LYS  77  -1.488 -17.423 -10.614
  557   3HZ   LYS  77          3HZ       LYS  77  -0.642 -16.970 -12.015
  558    H    LEU  78           H        LEU  78   3.328 -14.266  -7.415
  559    HA   LEU  78           HA       LEU  78   4.003 -16.338  -9.230
  560   1HB   LEU  78          2HB       LEU  78   5.111 -14.200  -9.339
  561   2HB   LEU  78          1HB       LEU  78   5.753 -14.405  -7.713
  562    HG   LEU  78           HG       LEU  78   7.266 -16.100  -8.390
  563   1HD1  LEU  78          1HD1      LEU  78   7.198 -17.026 -10.772
  564   2HD1  LEU  78          2HD1      LEU  78   5.592 -16.314 -10.910
  565   3HD1  LEU  78          3HD1      LEU  78   5.901 -17.572  -9.714
  566   1HD2  LEU  78          1HD2      LEU  78   7.131 -14.327 -10.827
  567   2HD2  LEU  78          2HD2      LEU  78   8.566 -15.035 -10.083
  568   3HD2  LEU  78          3HD2      LEU  78   7.691 -13.741  -9.265
  569    H    ALA  79           H        ALA  79   5.373 -15.724  -5.962
  570    HA   ALA  79           HA       ALA  79   6.730 -18.162  -5.665
  571   1HB   ALA  79          1HB       ALA  79   6.628 -17.738  -3.260
  572   2HB   ALA  79          2HB       ALA  79   5.330 -16.569  -3.492
  573   3HB   ALA  79          3HB       ALA  79   6.945 -16.227  -4.107
  574    H    ASN  80           H        ASN  80   3.381 -17.455  -5.632
  575    HA   ASN  80           HA       ASN  80   2.565 -19.828  -4.183
  576   1HB   ASN  80          2HB       ASN  80   1.303 -17.611  -4.215
  577   2HB   ASN  80          1HB       ASN  80   0.832 -18.012  -5.865
  578   1HD2  ASN  80          1HD2      ASN  80  -1.211 -17.760  -4.026
  579   2HD2  ASN  80          2HD2      ASN  80  -1.834 -19.285  -3.617
  580    H    GLU  81           H        GLU  81   3.181 -18.758  -7.392
  581    HA   GLU  81           HA       GLU  81   1.775 -20.853  -8.762
  582   1HB   GLU  81          2HB       GLU  81   2.371 -18.560  -9.697
  583   2HB   GLU  81          1HB       GLU  81   4.019 -19.161  -9.860
  584   1HG   GLU  81          2HG       GLU  81   2.961 -19.555 -11.969
  585   2HG   GLU  81          1HG       GLU  81   3.044 -21.120 -11.162
  586    H    GLY  82           H        GLY  82   5.237 -20.189  -8.043
  587   1HA   GLY  82          2HA       GLY  82   5.726 -23.076  -8.115
  588   2HA   GLY  82          1HA       GLY  82   6.603 -22.086  -9.270
  589    H    LYS  83           H        LYS  83   8.202 -20.636  -8.518
  590    HA   LYS  83           HA       LYS  83   9.295 -21.409  -5.889
  591   1HB   LYS  83          2HB       LYS  83  10.583 -21.952  -7.925
  592   2HB   LYS  83          1HB       LYS  83  10.691 -20.241  -8.289
  593   1HG   LYS  83          2HG       LYS  83  12.730 -20.631  -7.218
  594   2HG   LYS  83          1HG       LYS  83  11.747 -20.053  -5.889
  595   1HD   LYS  83          2HD       LYS  83  12.913 -21.999  -5.108
  596   2HD   LYS  83          1HD       LYS  83  11.235 -22.465  -5.324
  597   1HE   LYS  83          2HE       LYS  83  11.706 -23.816  -7.159
  598   2HE   LYS  83          1HE       LYS  83  13.115 -22.865  -7.630
  599   1HZ   LYS  83          1HZ       LYS  83  13.098 -25.201  -6.178
  600   2HZ   LYS  83          2HZ       LYS  83  13.468 -23.984  -5.051
  601   3HZ   LYS  83          3HZ       LYS  83  14.421 -24.174  -6.445
  602    H    VAL  84           H        VAL  84   9.988 -20.070  -4.398
  603    HA   VAL  84           HA       VAL  84   8.976 -17.399  -4.261
  604    HB   VAL  84           HB       VAL  84  10.938 -18.923  -2.531
  605   1HG1  VAL  84          1HG1      VAL  84  10.277 -17.098  -0.846
  606   2HG1  VAL  84          2HG1      VAL  84   9.680 -16.193  -2.237
  607   3HG1  VAL  84          3HG1      VAL  84  11.386 -16.627  -2.135
  608   1HG2  VAL  84          1HG2      VAL  84   8.282 -19.453  -2.815
  609   2HG2  VAL  84          2HG2      VAL  84   8.192 -18.187  -1.589
  610   3HG2  VAL  84          3HG2      VAL  84   9.133 -19.648  -1.286
  611    H    LYS  85           H        LYS  85  12.201 -18.856  -4.644
  612    HA   LYS  85           HA       LYS  85  13.813 -16.621  -4.609
  613   1HB   LYS  85          2HB       LYS  85  14.134 -18.892  -6.581
  614   2HB   LYS  85          1HB       LYS  85  15.394 -17.837  -5.953
  615   1HG   LYS  85          2HG       LYS  85  15.092 -18.732  -3.705
  616   2HG   LYS  85          1HG       LYS  85  13.723 -19.702  -4.243
  617   1HD   LYS  85          2HD       LYS  85  15.778 -21.066  -4.093
  618   2HD   LYS  85          1HD       LYS  85  15.182 -20.976  -5.749
  619   1HE   LYS  85          2HE       LYS  85  17.734 -20.596  -5.292
  620   2HE   LYS  85          1HE       LYS  85  16.904 -19.539  -6.430
  621   1HZ   LYS  85          1HZ       LYS  85  18.199 -18.228  -4.918
  622   2HZ   LYS  85          2HZ       LYS  85  17.474 -18.968  -3.572
  623   3HZ   LYS  85          3HZ       LYS  85  16.557 -17.964  -4.589
  624    H    GLU  86           H        GLU  86  11.713 -17.773  -7.183
  625    HA   GLU  86           HA       GLU  86  12.652 -15.873  -9.140
  626   1HB   GLU  86          2HB       GLU  86  10.074 -17.465  -9.010
  627   2HB   GLU  86          1HB       GLU  86  10.624 -16.535 -10.405
  628   1HG   GLU  86          2HG       GLU  86  12.565 -17.924 -10.666
  629   2HG   GLU  86          1HG       GLU  86  12.257 -18.727  -9.128
  630    H    ALA  87           H        ALA  87  10.352 -16.003  -6.600
  631    HA   ALA  87           HA       ALA  87   8.967 -13.566  -7.329
  632   1HB   ALA  87          1HB       ALA  87   7.897 -15.484  -6.086
  633   2HB   ALA  87          2HB       ALA  87   7.672 -13.896  -5.352
  634   3HB   ALA  87          3HB       ALA  87   8.862 -15.015  -4.686
  635    H    GLN  88           H        GLN  88  11.233 -14.597  -4.767
  636    HA   GLN  88           HA       GLN  88  11.510 -12.164  -3.452
  637   1HB   GLN  88          2HB       GLN  88  13.250 -13.169  -2.331
  638   2HB   GLN  88          1HB       GLN  88  12.608 -14.606  -3.112
  639   1HG   GLN  88          2HG       GLN  88  14.887 -14.760  -3.608
  640   2HG   GLN  88          1HG       GLN  88  14.260 -13.981  -5.049
  641   1HE2  GLN  88          1HE2      GLN  88  13.833 -11.484  -3.322
  642   2HE2  GLN  88          2HE2      GLN  88  15.366 -10.770  -3.242
  643    H    ALA  89           H        ALA  89  12.848 -13.285  -6.479
  644    HA   ALA  89           HA       ALA  89  14.531 -10.982  -6.890
  645   1HB   ALA  89          1HB       ALA  89  15.000 -13.131  -8.028
  646   2HB   ALA  89          2HB       ALA  89  14.729 -11.837  -9.195
  647   3HB   ALA  89          3HB       ALA  89  13.456 -13.014  -8.872
  648    H    ALA  90           H        ALA  90  11.320 -12.114  -7.862
  649    HA   ALA  90           HA       ALA  90  10.659  -9.902  -9.504
  650   1HB   ALA  90          1HB       ALA  90   8.609 -11.323  -7.817
  651   2HB   ALA  90          2HB       ALA  90   9.405 -12.164  -9.147
  652   3HB   ALA  90          3HB       ALA  90   8.461 -10.711  -9.465
  653    H    ALA  91           H        ALA  91  11.066 -10.280  -6.138
  654    HA   ALA  91           HA       ALA  91   9.381  -8.139  -5.256
  655   1HB   ALA  91          1HB       ALA  91  10.163  -8.607  -3.119
  656   2HB   ALA  91          2HB       ALA  91  11.765  -9.069  -3.689
  657   3HB   ALA  91          3HB       ALA  91  10.400 -10.158  -3.919
  658    H    GLU  92           H        GLU  92  12.808  -8.490  -6.077
  659    HA   GLU  92           HA       GLU  92  13.666  -5.950  -5.240
  660   1HB   GLU  92          2HB       GLU  92  15.691  -6.517  -6.171
  661   2HB   GLU  92          1HB       GLU  92  14.953  -8.114  -6.200
  662   1HG   GLU  92          2HG       GLU  92  14.122  -7.507  -8.558
  663   2HG   GLU  92          1HG       GLU  92  15.239  -6.151  -8.480
  664    H    GLN  93           H        GLN  93  12.088  -7.021  -8.191
  665    HA   GLN  93           HA       GLN  93  12.509  -4.670  -9.721
  666   1HB   GLN  93          2HB       GLN  93  10.000  -6.319  -9.960
  667   2HB   GLN  93          1HB       GLN  93  10.906  -5.494 -11.224
  668   1HG   GLN  93          2HG       GLN  93  12.746  -7.102 -10.982
  669   2HG   GLN  93          1HG       GLN  93  11.879  -7.918  -9.685
  670   1HE2  GLN  93          1HE2      GLN  93   9.387  -8.402 -10.494
  671   2HE2  GLN  93          2HE2      GLN  93   9.326  -9.164 -12.011
  672    H    LEU  94           H        LEU  94  10.489  -5.367  -7.040
  673    HA   LEU  94           HA       LEU  94   8.558  -3.278  -7.578
  674   1HB   LEU  94          2HB       LEU  94   8.969  -4.728  -4.963
  675   2HB   LEU  94          1HB       LEU  94   7.524  -3.889  -5.523
  676    HG   LEU  94           HG       LEU  94   8.699  -6.456  -6.610
  677   1HD1  LEU  94          1HD1      LEU  94   6.269  -7.191  -6.135
  678   2HD1  LEU  94          2HD1      LEU  94   6.167  -5.731  -5.152
  679   3HD1  LEU  94          3HD1      LEU  94   7.350  -6.975  -4.760
  680   1HD2  LEU  94          1HD2      LEU  94   6.663  -4.588  -7.801
  681   2HD2  LEU  94          2HD2      LEU  94   6.598  -6.318  -8.138
  682   3HD2  LEU  94          3HD2      LEU  94   8.025  -5.387  -8.585
  683    H    LYS  95           H        LYS  95  10.894  -3.749  -4.873
  684    HA   LYS  95           HA       LYS  95  10.663  -1.260  -3.737
  685   1HB   LYS  95          2HB       LYS  95  12.966  -1.469  -2.945
  686   2HB   LYS  95          1HB       LYS  95  12.141  -3.021  -2.835
  687   1HG   LYS  95          2HG       LYS  95  13.169  -3.716  -4.955
  688   2HG   LYS  95          1HG       LYS  95  14.014  -2.177  -5.064
  689   1HD   LYS  95          2HD       LYS  95  15.014  -2.720  -2.781
  690   2HD   LYS  95          1HD       LYS  95  14.380  -4.353  -2.997
  691   1HE   LYS  95          2HE       LYS  95  15.598  -4.364  -5.253
  692   2HE   LYS  95          1HE       LYS  95  16.434  -2.918  -4.688
  693   1HZ   LYS  95          1HZ       LYS  95  16.394  -5.051  -2.762
  694   2HZ   LYS  95          2HZ       LYS  95  17.694  -4.100  -3.304
  695   3HZ   LYS  95          3HZ       LYS  95  17.204  -5.463  -4.194
  696    H    THR  96           H        THR  96  12.124  -2.105  -6.772
  697    HA   THR  96           HA       THR  96  13.455   0.423  -7.166
  698    HB   THR  96           HB       THR  96  12.595  -1.494  -9.319
  699    HG1  THR  96           1HG      THR  96  13.669  -2.810  -7.989
  700   1HG2  THR  96          1HG2      THR  96  14.608  -0.654 -10.438
  701   2HG2  THR  96          2HG2      THR  96  14.989   0.338  -9.031
  702   3HG2  THR  96          3HG2      THR  96  13.553   0.688  -9.993
  703    H    THR  97           H        THR  97  10.393  -1.052  -8.130
  704    HA   THR  97           HA       THR  97   9.486   0.999  -9.838
  705    HB   THR  97           HB       THR  97   7.804  -0.838  -8.120
  706    HG1  THR  97           1HG      THR  97   7.869  -1.891 -10.379
  707   1HG2  THR  97          1HG2      THR  97   7.281   0.663 -10.700
  708   2HG2  THR  97          2HG2      THR  97   6.516   0.954  -9.137
  709   3HG2  THR  97          3HG2      THR  97   6.193  -0.542 -10.012
  710    H    ILE  98           H        ILE  98   8.880   0.419  -6.358
  711    HA   ILE  98           HA       ILE  98   7.279   2.738  -6.038
  712    HB   ILE  98           HB       ILE  98   7.249   2.264  -3.763
  713   1HG1  ILE  98          2HG1      ILE  98  10.053   1.136  -4.049
  714   2HG1  ILE  98          1HG1      ILE  98   9.629   2.658  -3.262
  715   1HG2  ILE  98          1HG2      ILE  98   8.284  -0.389  -4.770
  716   2HG2  ILE  98          2HG2      ILE  98   6.703   0.239  -5.235
  717   3HG2  ILE  98          3HG2      ILE  98   7.057  -0.095  -3.540
  718   1HD1  ILE  98          1HD1      ILE  98   8.962  -0.156  -2.366
  719   2HD1  ILE  98          2HD1      ILE  98   8.145   1.263  -1.710
  720   3HD1  ILE  98          3HD1      ILE  98   9.886   1.072  -1.500
  721    H    ARG  99           H        ARG  99  10.714   2.158  -6.171
  722    HA   ARG  99           HA       ARG  99  11.466   4.584  -4.914
  723   1HB   ARG  99          2HB       ARG  99  13.021   2.651  -5.227
  724   2HB   ARG  99          1HB       ARG  99  13.052   3.005  -6.952
  725   1HG   ARG  99          2HG       ARG  99  14.996   4.007  -5.806
  726   2HG   ARG  99          1HG       ARG  99  13.954   5.248  -6.496
  727   1HD   ARG  99          2HD       ARG  99  13.388   6.083  -4.432
  728   2HD   ARG  99          1HD       ARG  99  13.305   4.495  -3.689
  729    HE   ARG  99           HE       ARG  99  15.554   6.251  -3.654
  730   1HH1  ARG  99          1HH2      ARG  99  14.591   2.934  -3.862
  731   2HH1  ARG  99          2HH2      ARG  99  16.054   2.321  -3.165
  732   1HH2  ARG  99          1HH1      ARG  99  17.478   5.453  -2.742
  733   2HH2  ARG  99          2HH1      ARG  99  17.688   3.746  -2.533
  734    H    ALA 100           H        ALA 100  10.381   3.772  -8.089
  735    HA   ALA 100           HA       ALA 100  11.308   6.168  -9.359
  736   1HB   ALA 100          1HB       ALA 100  10.545   4.159 -10.639
  737   2HB   ALA 100          2HB       ALA 100   9.683   5.625 -11.107
  738   3HB   ALA 100          3HB       ALA 100   8.906   4.443 -10.053
  739    H    TYR 101           H        TYR 101   8.478   5.128  -7.560
  740    HA   TYR 101           HA       TYR 101   7.063   7.626  -7.855
  741   1HB   TYR 101          2HB       TYR 101   5.422   6.122  -7.342
  742   2HB   TYR 101          1HB       TYR 101   6.585   4.973  -6.696
  743    HD1  TYR 101           1HD      TYR 101   5.057   8.283  -5.814
  744    HD2  TYR 101           2HD      TYR 101   6.454   4.475  -4.410
  745    HE1  TYR 101           1HE      TYR 101   4.336   8.866  -3.512
  746    HE2  TYR 101           2HE      TYR 101   5.727   5.051  -2.112
  747    HH   TYR 101           HH       TYR 101   5.241   6.983  -0.772
  748    H    ASN 102           H        ASN 102   8.728   5.992  -5.163
  749    HA   ASN 102           HA       ASN 102   8.536   8.046  -3.285
  750   1HB   ASN 102          2HB       ASN 102   9.396   5.594  -3.027
  751   2HB   ASN 102          1HB       ASN 102  10.968   6.271  -3.446
  752   1HD2  ASN 102          1HD2      ASN 102  10.708   8.795  -2.161
  753   2HD2  ASN 102          2HD2      ASN 102  10.655   8.535  -0.485
  754    H    GLN 103           H        GLN 103  10.951   7.474  -5.810
  755    HA   GLN 103           HA       GLN 103  12.574   9.728  -5.000
  756   1HB   GLN 103          2HB       GLN 103  13.481   7.662  -6.144
  757   2HB   GLN 103          1HB       GLN 103  12.675   8.225  -7.608
  758   1HG   GLN 103          2HG       GLN 103  14.019  10.176  -7.735
  759   2HG   GLN 103          1HG       GLN 103  14.598   9.983  -6.081
  760   1HE2  GLN 103          1HE2      GLN 103  14.476   7.798  -8.964
  761   2HE2  GLN 103          2HE2      GLN 103  16.103   7.333  -8.847
  762    H    LYS 104           H        LYS 104  10.130   9.014  -7.441
  763    HA   LYS 104           HA       LYS 104  10.366  11.105  -9.200
  764   1HB   LYS 104          2HB       LYS 104   8.535   9.745  -9.688
  765   2HB   LYS 104          1HB       LYS 104   7.944   9.769  -8.032
  766   1HG   LYS 104          2HG       LYS 104   6.927  11.875  -8.278
  767   2HG   LYS 104          1HG       LYS 104   7.961  12.318  -9.636
  768   1HD   LYS 104          2HD       LYS 104   6.793  10.817 -11.115
  769   2HD   LYS 104          1HD       LYS 104   5.905  10.096  -9.771
  770   1HE   LYS 104          2HE       LYS 104   4.777  12.235  -9.344
  771   2HE   LYS 104          1HE       LYS 104   5.687  12.990 -10.653
  772   1HZ   LYS 104          1HZ       LYS 104   3.326  12.075 -11.099
  773   2HZ   LYS 104          2HZ       LYS 104   4.105  10.569 -11.186
  774   3HZ   LYS 104          3HZ       LYS 104   4.548  11.819 -12.246
  775    H    TYR 105           H        TYR 105   8.873  11.211  -5.990
  776    HA   TYR 105           HA       TYR 105   8.819  14.167  -6.148
  777   1HB   TYR 105          2HB       TYR 105   7.127  12.147  -4.868
  778   2HB   TYR 105          1HB       TYR 105   7.608  13.397  -3.723
  779    HD1  TYR 105           1HD      TYR 105   5.277  12.557  -6.257
  780    HD2  TYR 105           2HD      TYR 105   7.466  15.877  -4.644
  781    HE1  TYR 105           1HE      TYR 105   3.669  14.119  -7.304
  782    HE2  TYR 105           2HE      TYR 105   5.849  17.446  -5.679
  783    HH   TYR 105           HH       TYR 105   4.239  17.549  -7.395
  784    H    GLY 106           H        GLY 106  10.346  11.487  -4.518
  785   1HA   GLY 106          2HA       GLY 106  11.875  11.409  -2.770
  786   2HA   GLY 106          1HA       GLY 106  12.620  12.709  -3.694
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1 -16.526 -20.017  24.228
    2   2H    ALA   1          2HT       ALA   1 -17.658 -19.754  25.467
    3   3H    ALA   1          3HT       ALA   1 -17.272 -21.338  24.987
    4    HA   ALA   1           HA       ALA   1 -14.887 -20.738  25.662
    5   1HB   ALA   1          1HB       ALA   1 -16.523 -18.692  27.194
    6   2HB   ALA   1          2HB       ALA   1 -15.338 -18.331  25.938
    7   3HB   ALA   1          3HB       ALA   1 -14.816 -19.045  27.463
    8    H    ASP   2           H        ASP   2 -14.283 -21.399  27.917
    9    HA   ASP   2           HA       ASP   2 -16.064 -23.489  28.807
   10   1HB   ASP   2          2HB       ASP   2 -13.417 -22.536  29.925
   11   2HB   ASP   2          1HB       ASP   2 -14.266 -24.002  30.415
   12    H    LEU   3           H        LEU   3 -16.860 -20.621  29.108
   13    HA   LEU   3           HA       LEU   3 -17.999 -19.331  30.632
   14   1HB   LEU   3          2HB       LEU   3 -17.920 -21.691  32.513
   15   2HB   LEU   3          1HB       LEU   3 -19.136 -20.420  32.404
   16    HG   LEU   3           HG       LEU   3 -18.592 -22.580  30.351
   17   1HD1  LEU   3          1HD1      LEU   3 -20.755 -23.421  30.951
   18   2HD1  LEU   3          2HD1      LEU   3 -21.105 -21.997  31.931
   19   3HD1  LEU   3          3HD1      LEU   3 -19.885 -23.154  32.461
   20   1HD2  LEU   3          1HD2      LEU   3 -20.695 -21.529  29.291
   21   2HD2  LEU   3          2HD2      LEU   3 -19.183 -20.644  29.096
   22   3HD2  LEU   3          3HD2      LEU   3 -20.358 -20.125  30.305
   23    H    GLU   4           H        GLU   4 -16.137 -21.416  32.816
   24    HA   GLU   4           HA       GLU   4 -15.216 -19.147  34.339
   25   1HB   GLU   4          2HB       GLU   4 -14.602 -22.105  34.495
   26   2HB   GLU   4          1HB       GLU   4 -14.001 -20.908  35.644
   27   1HG   GLU   4          2HG       GLU   4 -16.333 -20.261  36.173
   28   2HG   GLU   4          1HG       GLU   4 -16.919 -21.486  35.048
   29    H    ASP   5           H        ASP   5 -14.293 -18.486  32.000
   30    HA   ASP   5           HA       ASP   5 -11.703 -19.610  31.394
   31   1HB   ASP   5          2HB       ASP   5 -11.589 -17.785  29.723
   32   2HB   ASP   5          1HB       ASP   5 -13.083 -18.714  29.594
   33    H    ASN   6           H        ASN   6  -9.898 -17.849  31.027
   34    HA   ASN   6           HA       ASN   6  -9.779 -15.785  33.053
   35   1HB   ASN   6          2HB       ASN   6  -7.986 -18.218  33.250
   36   2HB   ASN   6          1HB       ASN   6  -7.785 -16.733  34.179
   37   1HD2  ASN   6          1HD2      ASN   6  -9.908 -19.554  33.725
   38   2HD2  ASN   6          2HD2      ASN   6 -10.754 -19.358  35.184
   39    H    ASP   7           H        ASP   7  -7.285 -17.779  31.474
   40    HA   ASP   7           HA       ASP   7  -5.832 -15.473  30.596
   41   1HB   ASP   7          2HB       ASP   7  -5.551 -18.369  29.755
   42   2HB   ASP   7          1HB       ASP   7  -4.373 -17.089  29.473
   43    H    GLU   8           H        GLU   8  -7.449 -14.330  29.393
   44    HA   GLU   8           HA       GLU   8  -8.723 -15.442  27.098
   45   1HB   GLU   8          2HB       GLU   8  -9.486 -13.394  28.386
   46   2HB   GLU   8          1HB       GLU   8  -8.169 -12.512  27.613
   47   1HG   GLU   8          2HG       GLU   8 -10.235 -14.049  26.024
   48   2HG   GLU   8          1HG       GLU   8 -10.449 -12.359  26.468
   49    H    THR   9           H        THR   9  -7.071 -16.449  25.891
   50    HA   THR   9           HA       THR   9  -5.747 -14.676  24.025
   51    HB   THR   9           HB       THR   9  -4.032 -16.528  25.690
   52    HG1  THR   9           1HG      THR   9  -4.348 -14.967  27.090
   53   1HG2  THR   9          1HG2      THR   9  -3.425 -14.354  23.670
   54   2HG2  THR   9          2HG2      THR   9  -3.193 -16.087  23.441
   55   3HG2  THR   9          3HG2      THR   9  -2.212 -15.213  24.618
   56    H    GLY  10           H        GLY  10  -5.063 -17.993  25.136
   57   1HA   GLY  10          2HA       GLY  10  -5.095 -19.011  22.449
   58   2HA   GLY  10          1HA       GLY  10  -4.917 -19.958  23.924
   59    H    ASN  11           H        ASN  11  -7.598 -17.814  23.790
   60    HA   ASN  11           HA       ASN  11  -9.457 -20.017  23.921
   61   1HB   ASN  11          2HB       ASN  11 -11.162 -18.184  24.077
   62   2HB   ASN  11          1HB       ASN  11  -9.895 -18.092  25.300
   63   1HD2  ASN  11          1HD2      ASN  11 -11.108 -16.588  22.321
   64   2HD2  ASN  11          2HD2      ASN  11 -10.172 -15.179  22.452
   65    H    ASP  12           H        ASP  12  -9.937 -21.077  22.098
   66    HA   ASP  12           HA       ASP  12 -10.543 -21.502  19.922
   67   1HB   ASP  12          2HB       ASP  12 -12.551 -20.263  20.665
   68   2HB   ASP  12          1HB       ASP  12 -11.795 -18.757  20.149
   69    H    ASN  13           H        ASN  13  -8.034 -21.034  19.778
   70    HA   ASN  13           HA       ASN  13  -7.318 -18.669  18.286
   71   1HB   ASN  13          2HB       ASN  13  -5.718 -19.762  19.816
   72   2HB   ASN  13          1HB       ASN  13  -5.733 -21.198  18.793
   73   1HD2  ASN  13          1HD2      ASN  13  -5.487 -17.660  18.104
   74   2HD2  ASN  13          2HD2      ASN  13  -4.110 -17.810  17.125
   75    H    GLY  14           H        GLY  14  -7.389 -22.161  17.520
   76   1HA   GLY  14          2HA       GLY  14  -7.569 -23.269  15.510
   77   2HA   GLY  14          1HA       GLY  14  -8.631 -21.944  15.039
   78    H    LYS  15           H        LYS  15  -5.156 -22.643  15.450
   79    HA   LYS  15           HA       LYS  15  -4.398 -20.619  13.551
   80   1HB   LYS  15          2HB       LYS  15  -3.045 -21.380  15.568
   81   2HB   LYS  15          1HB       LYS  15  -2.671 -22.841  14.663
   82   1HG   LYS  15          2HG       LYS  15  -1.463 -21.637  13.008
   83   2HG   LYS  15          1HG       LYS  15  -2.156 -20.096  13.501
   84   1HD   LYS  15          2HD       LYS  15   0.228 -20.457  14.252
   85   2HD   LYS  15          1HD       LYS  15  -0.904 -20.097  15.555
   86   1HE   LYS  15          2HE       LYS  15   0.712 -22.033  15.981
   87   2HE   LYS  15          1HE       LYS  15  -0.998 -22.384  16.238
   88   1HZ   LYS  15          1HZ       LYS  15  -0.049 -22.818  13.539
   89   2HZ   LYS  15          2HZ       LYS  15  -1.058 -23.783  14.507
   90   3HZ   LYS  15          3HZ       LYS  15   0.629 -23.852  14.700
   91    H    GLY  16           H        GLY  16  -2.396 -23.169  12.932
   92   1HA   GLY  16          2HA       GLY  16  -2.074 -24.585  11.182
   93   2HA   GLY  16          1HA       GLY  16  -3.830 -24.705  11.065
   94    H    GLY  17           H        GLY  17  -4.880 -23.604   9.553
   95   1HA   GLY  17          2HA       GLY  17  -5.127 -22.612   7.466
   96   2HA   GLY  17          1HA       GLY  17  -4.370 -21.251   8.287
   97    H    GLU  18           H        GLU  18  -2.446 -24.057   8.126
   98    HA   GLU  18           HA       GLU  18  -0.426 -24.456   7.154
   99   1HB   GLU  18          2HB       GLU  18  -0.806 -25.167   5.035
  100   2HB   GLU  18          1HB       GLU  18  -2.433 -24.533   5.242
  101   1HG   GLU  18          2HG       GLU  18  -1.593 -22.319   4.351
  102   2HG   GLU  18          1HG       GLU  18  -0.067 -23.114   3.984
  103    H    LYS  19           H        LYS  19   1.381 -23.466   5.757
  104    HA   LYS  19           HA       LYS  19   1.425 -20.515   6.023
  105   1HB   LYS  19          2HB       LYS  19   3.628 -20.575   6.980
  106   2HB   LYS  19          1HB       LYS  19   2.598 -21.624   7.949
  107   1HG   LYS  19          2HG       LYS  19   3.437 -23.531   6.382
  108   2HG   LYS  19          1HG       LYS  19   4.710 -22.395   5.938
  109   1HD   LYS  19          2HD       LYS  19   5.736 -23.487   7.721
  110   2HD   LYS  19          1HD       LYS  19   4.979 -22.144   8.572
  111   1HE   LYS  19          2HE       LYS  19   4.412 -24.084   9.832
  112   2HE   LYS  19          1HE       LYS  19   2.961 -23.704   8.907
  113   1HZ   LYS  19          1HZ       LYS  19   5.028 -25.680   8.111
  114   2HZ   LYS  19          2HZ       LYS  19   3.596 -25.335   7.266
  115   3HZ   LYS  19          3HZ       LYS  19   3.527 -26.061   8.801
  116    H    ALA  20           H        ALA  20   3.842 -19.933   5.085
  117    HA   ALA  20           HA       ALA  20   3.820 -21.003   2.318
  118   1HB   ALA  20          1HB       ALA  20   3.292 -18.629   2.446
  119   2HB   ALA  20          2HB       ALA  20   4.881 -18.847   1.720
  120   3HB   ALA  20          3HB       ALA  20   4.747 -18.331   3.398
  121    H    ASP  21           H        ASP  21   6.147 -20.419   1.308
  122    HA   ASP  21           HA       ASP  21   8.354 -20.950   3.103
  123   1HB   ASP  21          2HB       ASP  21   7.497 -23.034   1.087
  124   2HB   ASP  21          1HB       ASP  21   9.029 -23.046   1.957
  125    H    ASN  22           H        ASN  22   7.754 -21.645  -0.357
  126    HA   ASN  22           HA       ASN  22  10.040 -19.898  -1.043
  127   1HB   ASN  22          2HB       ASN  22  10.080 -22.288  -1.771
  128   2HB   ASN  22          1HB       ASN  22   8.649 -22.000  -2.729
  129   1HD2  ASN  22          1HD2      ASN  22   9.784 -22.407  -4.743
  130   2HD2  ASN  22          2HD2      ASN  22  10.952 -21.333  -5.343
  131    H    ALA  23           H        ALA  23   8.215 -20.642  -3.671
  132    HA   ALA  23           HA       ALA  23   7.605 -18.087  -4.481
  133   1HB   ALA  23          1HB       ALA  23   6.271 -20.727  -5.061
  134   2HB   ALA  23          2HB       ALA  23   7.433 -19.850  -6.058
  135   3HB   ALA  23          3HB       ALA  23   5.790 -19.237  -5.875
  136    H    ALA  24           H        ALA  24   5.522 -20.287  -2.594
  137    HA   ALA  24           HA       ALA  24   3.187 -18.803  -2.552
  138   1HB   ALA  24          1HB       ALA  24   2.778 -19.796  -0.306
  139   2HB   ALA  24          2HB       ALA  24   4.450 -20.353  -0.277
  140   3HB   ALA  24          3HB       ALA  24   3.332 -20.989  -1.482
  141    H    GLN  25           H        GLN  25   5.943 -18.558  -0.322
  142    HA   GLN  25           HA       GLN  25   5.078 -16.439   1.252
  143   1HB   GLN  25          2HB       GLN  25   7.036 -17.944   1.584
  144   2HB   GLN  25          1HB       GLN  25   7.903 -17.020   0.361
  145   1HG   GLN  25          2HG       GLN  25   7.525 -14.958   1.710
  146   2HG   GLN  25          1HG       GLN  25   6.797 -15.953   2.972
  147   1HE2  GLN  25          1HE2      GLN  25   8.632 -18.209   2.854
  148   2HE2  GLN  25          2HE2      GLN  25  10.150 -17.655   3.369
  149    H    VAL  26           H        VAL  26   6.673 -16.431  -1.891
  150    HA   VAL  26           HA       VAL  26   7.217 -13.637  -1.967
  151    HB   VAL  26           HB       VAL  26   7.116 -15.842  -4.015
  152   1HG1  VAL  26          1HG1      VAL  26   7.427 -12.886  -4.504
  153   2HG1  VAL  26          2HG1      VAL  26   6.368 -14.028  -5.334
  154   3HG1  VAL  26          3HG1      VAL  26   8.112 -14.087  -5.598
  155   1HG2  VAL  26          1HG2      VAL  26   9.463 -15.598  -4.038
  156   2HG2  VAL  26          2HG2      VAL  26   9.025 -15.464  -2.334
  157   3HG2  VAL  26          3HG2      VAL  26   9.394 -14.013  -3.269
  158    H    LYS  27           H        LYS  27   4.885 -15.470  -3.953
  159    HA   LYS  27           HA       LYS  27   3.453 -13.418  -5.027
  160   1HB   LYS  27          2HB       LYS  27   2.511 -16.096  -4.025
  161   2HB   LYS  27          1HB       LYS  27   1.462 -14.998  -4.920
  162   1HG   LYS  27          2HG       LYS  27   3.186 -14.953  -6.753
  163   2HG   LYS  27          1HG       LYS  27   4.075 -16.199  -5.880
  164   1HD   LYS  27          2HD       LYS  27   1.187 -16.486  -6.763
  165   2HD   LYS  27          1HD       LYS  27   2.560 -17.097  -7.684
  166   1HE   LYS  27          2HE       LYS  27   3.219 -18.325  -5.492
  167   2HE   LYS  27          1HE       LYS  27   1.564 -17.996  -4.982
  168   1HZ   LYS  27          1HZ       LYS  27   1.425 -20.048  -6.012
  169   2HZ   LYS  27          2HZ       LYS  27   2.505 -19.625  -7.253
  170   3HZ   LYS  27          3HZ       LYS  27   0.933 -18.982  -7.236
  171    H    ASP  28           H        ASP  28   3.011 -14.787  -1.783
  172    HA   ASP  28           HA       ASP  28   0.723 -13.301  -1.082
  173   1HB   ASP  28          2HB       ASP  28   1.542 -15.255   0.192
  174   2HB   ASP  28          1HB       ASP  28   2.931 -14.309   0.727
  175    H    ALA  29           H        ALA  29   4.143 -12.512  -1.043
  176    HA   ALA  29           HA       ALA  29   3.789 -10.080   0.479
  177   1HB   ALA  29          1HB       ALA  29   6.154 -11.048  -1.141
  178   2HB   ALA  29          2HB       ALA  29   5.893 -11.355   0.575
  179   3HB   ALA  29          3HB       ALA  29   6.163  -9.708   0.006
  180    H    LEU  30           H        LEU  30   3.347 -10.969  -2.783
  181    HA   LEU  30           HA       LEU  30   3.990  -8.369  -3.913
  182   1HB   LEU  30          2HB       LEU  30   2.923 -10.979  -4.943
  183   2HB   LEU  30          1HB       LEU  30   2.601  -9.534  -5.893
  184    HG   LEU  30           HG       LEU  30   5.115  -9.057  -5.785
  185   1HD1  LEU  30          1HD1      LEU  30   6.606 -10.825  -5.198
  186   2HD1  LEU  30          2HD1      LEU  30   5.291 -11.989  -5.068
  187   3HD1  LEU  30          3HD1      LEU  30   5.465 -10.723  -3.859
  188   1HD2  LEU  30          1HD2      LEU  30   4.267  -9.833  -7.848
  189   2HD2  LEU  30          2HD2      LEU  30   3.904 -11.432  -7.205
  190   3HD2  LEU  30          3HD2      LEU  30   5.577 -10.956  -7.490
  191    H    THR  31           H        THR  31   1.027 -10.205  -3.186
  192    HA   THR  31           HA       THR  31  -0.682  -8.050  -3.981
  193    HB   THR  31           HB       THR  31  -1.469 -10.354  -4.027
  194    HG1  THR  31           1HG      THR  31  -3.014  -8.754  -3.696
  195   1HG2  THR  31          1HG2      THR  31  -1.329 -10.239  -1.009
  196   2HG2  THR  31          2HG2      THR  31  -0.125 -11.052  -2.012
  197   3HG2  THR  31          3HG2      THR  31  -1.796 -11.624  -1.999
  198    H    LYS  32           H        LYS  32   1.034  -8.924  -1.124
  199    HA   LYS  32           HA       LYS  32  -0.456  -7.730   0.898
  200   1HB   LYS  32          2HB       LYS  32   1.734  -9.041   1.110
  201   2HB   LYS  32          1HB       LYS  32   2.552  -7.530   0.717
  202   1HG   LYS  32          2HG       LYS  32   0.815  -6.683   2.695
  203   2HG   LYS  32          1HG       LYS  32   1.155  -8.328   3.225
  204   1HD   LYS  32          2HD       LYS  32   2.872  -7.120   4.260
  205   2HD   LYS  32          1HD       LYS  32   3.663  -7.680   2.786
  206   1HE   LYS  32          2HE       LYS  32   4.198  -5.373   2.896
  207   2HE   LYS  32          1HE       LYS  32   2.869  -5.451   1.740
  208   1HZ   LYS  32          1HZ       LYS  32   1.741  -5.243   4.267
  209   2HZ   LYS  32          2HZ       LYS  32   1.750  -4.075   3.034
  210   3HZ   LYS  32          3HZ       LYS  32   2.982  -4.089   4.203
  211    H    MET  33           H        MET  33   2.299  -6.235  -0.797
  212    HA   MET  33           HA       MET  33   1.751  -3.620   0.104
  213   1HB   MET  33          2HB       MET  33   3.053  -3.119  -2.237
  214   2HB   MET  33          1HB       MET  33   3.878  -3.620  -0.763
  215   1HG   MET  33          2HG       MET  33   3.805  -5.956  -1.473
  216   2HG   MET  33          1HG       MET  33   2.897  -5.508  -2.912
  217   1HE   MET  33          1HE       MET  33   6.097  -4.592  -0.867
  218   2HE   MET  33          2HE       MET  33   7.319  -5.142  -2.012
  219   3HE   MET  33          3HE       MET  33   6.118  -6.278  -1.397
  220    H    ARG  34           H        ARG  34   1.018  -5.133  -3.079
  221    HA   ARG  34           HA       ARG  34  -0.373  -3.222  -4.387
  222   1HB   ARG  34          2HB       ARG  34  -0.141  -5.709  -4.978
  223   2HB   ARG  34          1HB       ARG  34  -1.582  -5.954  -3.998
  224   1HG   ARG  34          2HG       ARG  34  -2.899  -4.529  -5.406
  225   2HG   ARG  34          1HG       ARG  34  -1.474  -3.983  -6.297
  226   1HD   ARG  34          2HD       ARG  34  -1.206  -6.061  -7.377
  227   2HD   ARG  34          1HD       ARG  34  -2.180  -6.925  -6.185
  228    HE   ARG  34           HE       ARG  34  -3.932  -5.148  -7.327
  229   1HH1  ARG  34          1HH2      ARG  34  -1.741  -7.567  -8.478
  230   2HH1  ARG  34          2HH2      ARG  34  -2.691  -7.961  -9.871
  231   1HH2  ARG  34          1HH1      ARG  34  -5.183  -5.659  -9.152
  232   2HH2  ARG  34          2HH1      ARG  34  -4.640  -6.881 -10.253
  233    H    ALA  35           H        ALA  35  -2.132  -5.483  -2.257
  234    HA   ALA  35           HA       ALA  35  -4.505  -4.027  -2.107
  235   1HB   ALA  35          1HB       ALA  35  -5.004  -5.349  -0.109
  236   2HB   ALA  35          2HB       ALA  35  -3.308  -5.811   0.026
  237   3HB   ALA  35          3HB       ALA  35  -4.266  -6.366  -1.346
  238    H    ALA  36           H        ALA  36  -1.471  -3.509  -0.522
  239    HA   ALA  36           HA       ALA  36  -2.531  -1.809   1.561
  240   1HB   ALA  36          1HB       ALA  36  -0.299  -3.188   1.549
  241   2HB   ALA  36          2HB       ALA  36  -0.338  -1.607   2.326
  242   3HB   ALA  36          3HB       ALA  36   0.356  -1.780   0.716
  243    H    ALA  37           H        ALA  37  -1.211  -1.463  -1.657
  244    HA   ALA  37           HA       ALA  37  -0.878   1.375  -1.565
  245   1HB   ALA  37          1HB       ALA  37  -0.699   1.198  -4.019
  246   2HB   ALA  37          2HB       ALA  37  -1.233  -0.481  -3.936
  247   3HB   ALA  37          3HB       ALA  37   0.308  -0.008  -3.219
  248    H    LEU  38           H        LEU  38  -3.399  -0.821  -2.786
  249    HA   LEU  38           HA       LEU  38  -5.140   1.225  -3.726
  250   1HB   LEU  38          2HB       LEU  38  -5.854  -1.545  -2.731
  251   2HB   LEU  38          1HB       LEU  38  -6.860  -0.515  -3.747
  252    HG   LEU  38           HG       LEU  38  -4.072  -1.341  -4.585
  253   1HD1  LEU  38          1HD1      LEU  38  -5.256  -3.416  -4.239
  254   2HD1  LEU  38          2HD1      LEU  38  -5.234  -3.097  -5.972
  255   3HD1  LEU  38          3HD1      LEU  38  -6.695  -2.786  -5.037
  256   1HD2  LEU  38          1HD2      LEU  38  -4.919   0.470  -5.905
  257   2HD2  LEU  38          2HD2      LEU  38  -6.521  -0.259  -6.010
  258   3HD2  LEU  38          3HD2      LEU  38  -5.165  -0.980  -6.871
  259    H    ASP  39           H        ASP  39  -4.978  -0.552  -0.658
  260    HA   ASP  39           HA       ASP  39  -7.200   0.629   0.591
  261   1HB   ASP  39          2HB       ASP  39  -5.855  -1.368   1.380
  262   2HB   ASP  39          1HB       ASP  39  -4.655  -0.229   1.976
  263    H    ALA  40           H        ALA  40  -3.746   1.450   0.926
  264    HA   ALA  40           HA       ALA  40  -4.095   3.760   2.467
  265   1HB   ALA  40          1HB       ALA  40  -1.938   2.452   1.892
  266   2HB   ALA  40          2HB       ALA  40  -1.830   4.199   2.072
  267   3HB   ALA  40          3HB       ALA  40  -1.869   3.483   0.463
  268    H    GLN  41           H        GLN  41  -3.957   3.367  -1.076
  269    HA   GLN  41           HA       GLN  41  -3.870   5.962  -1.928
  270   1HB   GLN  41          2HB       GLN  41  -3.928   4.069  -3.441
  271   2HB   GLN  41          1HB       GLN  41  -5.567   3.688  -2.948
  272   1HG   GLN  41          2HG       GLN  41  -6.482   5.602  -3.984
  273   2HG   GLN  41          1HG       GLN  41  -4.908   6.385  -4.126
  274   1HE2  GLN  41          1HE2      GLN  41  -4.460   3.138  -4.809
  275   2HE2  GLN  41          2HE2      GLN  41  -4.599   3.200  -6.508
  276    H    LYS  42           H        LYS  42  -6.731   4.235  -0.664
  277    HA   LYS  42           HA       LYS  42  -7.942   6.816  -0.080
  278   1HB   LYS  42          2HB       LYS  42  -8.482   5.771  -2.508
  279   2HB   LYS  42          1HB       LYS  42  -9.729   4.949  -1.584
  280   1HG   LYS  42          2HG       LYS  42 -10.855   6.912  -2.143
  281   2HG   LYS  42          1HG       LYS  42 -10.158   7.358  -0.590
  282   1HD   LYS  42          2HD       LYS  42  -9.558   9.193  -1.911
  283   2HD   LYS  42          1HD       LYS  42  -8.119   8.185  -2.024
  284   1HE   LYS  42          2HE       LYS  42  -8.851   9.063  -4.240
  285   2HE   LYS  42          1HE       LYS  42  -8.864   7.304  -4.185
  286   1HZ   LYS  42          1HZ       LYS  42 -10.889   8.472  -5.151
  287   2HZ   LYS  42          2HZ       LYS  42 -11.277   8.886  -3.549
  288   3HZ   LYS  42          3HZ       LYS  42 -11.171   7.253  -4.006
  289    H    ALA  43           H        ALA  43  -7.068   5.069   1.804
  290    HA   ALA  43           HA       ALA  43  -9.540   4.483   3.190
  291   1HB   ALA  43          1HB       ALA  43  -9.454   2.181   3.286
  292   2HB   ALA  43          2HB       ALA  43  -7.705   2.125   3.078
  293   3HB   ALA  43          3HB       ALA  43  -8.747   2.419   1.689
  294    H    THR  44           H        THR  44  -6.050   3.702   3.278
  295    HA   THR  44           HA       THR  44  -5.987   4.511   6.120
  296    HB   THR  44           HB       THR  44  -3.964   2.865   4.612
  297    HG1  THR  44           1HG      THR  44  -5.781   1.835   6.471
  298   1HG2  THR  44          1HG2      THR  44  -4.474   3.405   7.548
  299   2HG2  THR  44          2HG2      THR  44  -3.074   3.924   6.607
  300   3HG2  THR  44          3HG2      THR  44  -3.327   2.211   6.940
  301    HA   PRO  45           HA       PRO  45  -4.124   8.204   3.811
  302   1HB   PRO  45          2HB       PRO  45  -4.361   8.813   6.748
  303   2HB   PRO  45          1HB       PRO  45  -4.497   9.922   5.367
  304   1HG   PRO  45          2HG       PRO  45  -6.675   8.939   6.538
  305   2HG   PRO  45          1HG       PRO  45  -6.599   9.155   4.780
  306   1HD   PRO  45          2HD       PRO  45  -6.625   6.640   6.331
  307   2HD   PRO  45          1HD       PRO  45  -6.981   6.889   4.612
  308    HA   PRO  46           HA       PRO  46  -0.262   6.283   5.477
  309   1HB   PRO  46          2HB       PRO  46   1.181   6.231   3.214
  310   2HB   PRO  46          1HB       PRO  46  -0.185   5.122   3.448
  311   1HG   PRO  46          2HG       PRO  46  -0.120   7.717   1.955
  312   2HG   PRO  46          1HG       PRO  46  -0.759   6.160   1.436
  313   1HD   PRO  46          2HD       PRO  46  -2.345   8.123   2.463
  314   2HD   PRO  46          1HD       PRO  46  -2.730   6.394   2.665
  315    H    LYS  47           H        LYS  47   1.299   8.003   2.983
  316    HA   LYS  47           HA       LYS  47   2.695   9.663   4.856
  317   1HB   LYS  47          2HB       LYS  47   2.895   8.948   1.981
  318   2HB   LYS  47          1HB       LYS  47   3.484  10.561   2.371
  319   1HG   LYS  47          2HG       LYS  47   4.334   8.166   4.000
  320   2HG   LYS  47          1HG       LYS  47   5.159   8.578   2.497
  321   1HD   LYS  47          2HD       LYS  47   5.925  10.640   3.322
  322   2HD   LYS  47          1HD       LYS  47   4.711  10.694   4.599
  323   1HE   LYS  47          2HE       LYS  47   7.087   8.811   4.458
  324   2HE   LYS  47          1HE       LYS  47   6.895  10.168   5.564
  325   1HZ   LYS  47          1HZ       LYS  47   5.422   7.614   5.508
  326   2HZ   LYS  47          2HZ       LYS  47   4.759   8.984   6.263
  327   3HZ   LYS  47          3HZ       LYS  47   6.235   8.343   6.806
  328    H    LEU  48           H        LEU  48  -0.136   9.987   2.989
  329    HA   LEU  48           HA       LEU  48   0.002  12.857   2.697
  330   1HB   LEU  48          2HB       LEU  48  -2.614  11.403   2.549
  331   2HB   LEU  48          1HB       LEU  48  -2.010  12.739   1.559
  332    HG   LEU  48           HG       LEU  48  -1.101   9.839   1.462
  333   1HD1  LEU  48          1HD1      LEU  48  -2.584  11.613  -0.500
  334   2HD1  LEU  48          2HD1      LEU  48  -3.238  10.217   0.357
  335   3HD1  LEU  48          3HD1      LEU  48  -1.989   9.994  -0.868
  336   1HD2  LEU  48          1HD2      LEU  48   0.165  10.809  -0.624
  337   2HD2  LEU  48          2HD2      LEU  48   0.874  11.028   0.972
  338   3HD2  LEU  48          3HD2      LEU  48   0.003  12.352   0.209
  339    H    GLU  49           H        GLU  49   0.580  12.499   5.245
  340    HA   GLU  49           HA       GLU  49  -1.736  12.595   6.959
  341   1HB   GLU  49          2HB       GLU  49   1.178  13.223   7.480
  342   2HB   GLU  49          1HB       GLU  49  -0.073  13.188   8.722
  343   1HG   GLU  49          2HG       GLU  49   0.562  10.856   6.904
  344   2HG   GLU  49          1HG       GLU  49   1.228  11.042   8.523
  345    H    ASP  50           H        ASP  50   0.406  14.940   5.424
  346    HA   ASP  50           HA       ASP  50  -1.521  17.051   5.936
  347   1HB   ASP  50          2HB       ASP  50  -0.157  17.044   8.003
  348   2HB   ASP  50          1HB       ASP  50   1.290  17.286   7.028
  349    H    LYS  51           H        LYS  51  -1.009  16.144   3.497
  350    HA   LYS  51           HA       LYS  51   0.245  18.418   2.217
  351   1HB   LYS  51          2HB       LYS  51   1.746  16.992   0.801
  352   2HB   LYS  51          1HB       LYS  51   2.239  17.100   2.490
  353   1HG   LYS  51          2HG       LYS  51   1.567  14.909   2.971
  354   2HG   LYS  51          1HG       LYS  51   0.448  14.848   1.613
  355   1HD   LYS  51          2HD       LYS  51   2.462  13.475   1.185
  356   2HD   LYS  51          1HD       LYS  51   2.326  14.802   0.033
  357   1HE   LYS  51          2HE       LYS  51   3.948  15.056   2.569
  358   2HE   LYS  51          1HE       LYS  51   4.641  14.417   1.079
  359   1HZ   LYS  51          1HZ       LYS  51   3.883  17.126   1.750
  360   2HZ   LYS  51          2HZ       LYS  51   3.425  16.624   0.193
  361   3HZ   LYS  51          3HZ       LYS  51   5.056  16.563   0.663
  362    H    SER  52           H        SER  52  -2.380  17.308   2.363
  363    HA   SER  52           HA       SER  52  -3.417  15.718   0.494
  364   1HB   SER  52          2HB       SER  52  -4.336  17.945   1.986
  365   2HB   SER  52          1HB       SER  52  -4.948  18.160   0.353
  366    HG   SER  52           HG       SER  52  -5.064  15.595   1.423
  367    HA   PRO  53           HA       PRO  53  -2.926  16.599  -3.809
  368   1HB   PRO  53          2HB       PRO  53  -5.669  17.828  -3.776
  369   2HB   PRO  53          1HB       PRO  53  -4.962  16.699  -4.948
  370   1HG   PRO  53          2HG       PRO  53  -6.612  15.824  -3.080
  371   2HG   PRO  53          1HG       PRO  53  -5.176  14.883  -3.529
  372   1HD   PRO  53          2HD       PRO  53  -5.688  16.451  -1.045
  373   2HD   PRO  53          1HD       PRO  53  -4.645  15.036  -1.294
  374    H    ASP  54           H        ASP  54  -1.754  18.626  -2.297
  375    HA   ASP  54           HA       ASP  54  -2.488  21.168  -3.634
  376   1HB   ASP  54          2HB       ASP  54  -2.362  21.254  -1.196
  377   2HB   ASP  54          1HB       ASP  54  -0.726  20.599  -1.238
  378    H    SER  55           H        SER  55   0.474  19.760  -2.365
  379    HA   SER  55           HA       SER  55   2.199  20.836  -4.375
  380   1HB   SER  55          2HB       SER  55   3.301  18.561  -2.915
  381   2HB   SER  55          1HB       SER  55   3.710  20.273  -2.747
  382    HG   SER  55           HG       SER  55   2.614  20.252  -0.976
  383    HA   PRO  56           HA       PRO  56   2.165  17.644  -7.512
  384   1HB   PRO  56          2HB       PRO  56   4.633  16.292  -7.281
  385   2HB   PRO  56          1HB       PRO  56   4.335  17.754  -8.240
  386   1HG   PRO  56          2HG       PRO  56   5.513  17.485  -5.516
  387   2HG   PRO  56          1HG       PRO  56   5.930  18.610  -6.822
  388   1HD   PRO  56          2HD       PRO  56   4.512  19.427  -4.709
  389   2HD   PRO  56          1HD       PRO  56   4.156  20.055  -6.325
  390    H    GLU  57           H        GLU  57   1.950  16.969  -4.335
  391    HA   GLU  57           HA       GLU  57   2.353  14.458  -3.580
  392   1HB   GLU  57          2HB       GLU  57   0.976  15.862  -2.208
  393   2HB   GLU  57          1HB       GLU  57  -0.260  15.984  -3.456
  394   1HG   GLU  57          2HG       GLU  57  -0.759  13.567  -3.205
  395   2HG   GLU  57          1HG       GLU  57   0.493  13.441  -1.969
  396    H    MET  58           H        MET  58  -0.273  15.353  -5.799
  397    HA   MET  58           HA       MET  58  -1.193  12.722  -6.267
  398   1HB   MET  58          2HB       MET  58  -1.382  15.072  -8.157
  399   2HB   MET  58          1HB       MET  58  -2.443  13.665  -8.077
  400   1HG   MET  58          2HG       MET  58  -3.314  14.328  -5.940
  401   2HG   MET  58          1HG       MET  58  -2.093  15.591  -5.753
  402   1HE   MET  58          1HE       MET  58  -2.374  17.870  -6.303
  403   2HE   MET  58          2HE       MET  58  -3.130  18.487  -7.771
  404   3HE   MET  58          3HE       MET  58  -1.771  17.372  -7.889
  405    H    LYS  59           H        LYS  59   1.055  14.807  -8.060
  406    HA   LYS  59           HA       LYS  59   1.576  13.061 -10.200
  407   1HB   LYS  59          2HB       LYS  59   3.361  15.109  -8.860
  408   2HB   LYS  59          1HB       LYS  59   3.750  14.309 -10.378
  409   1HG   LYS  59          2HG       LYS  59   1.078  15.677 -10.124
  410   2HG   LYS  59          1HG       LYS  59   2.514  16.671 -10.364
  411   1HD   LYS  59          2HD       LYS  59   3.073  15.402 -12.393
  412   2HD   LYS  59          1HD       LYS  59   1.688  14.340 -12.132
  413   1HE   LYS  59          2HE       LYS  59   0.134  16.121 -12.508
  414   2HE   LYS  59          1HE       LYS  59   1.408  17.340 -12.429
  415   1HZ   LYS  59          1HZ       LYS  59   1.680  17.117 -14.599
  416   2HZ   LYS  59          2HZ       LYS  59   0.501  15.896 -14.662
  417   3HZ   LYS  59          3HZ       LYS  59   2.129  15.496 -14.385
  418    H    ASP  60           H        ASP  60   3.272  13.465  -7.114
  419    HA   ASP  60           HA       ASP  60   5.079  11.300  -7.582
  420   1HB   ASP  60          2HB       ASP  60   5.556  13.189  -6.062
  421   2HB   ASP  60          1HB       ASP  60   4.288  12.618  -4.975
  422    H    PHE  61           H        PHE  61   1.984  11.660  -5.918
  423    HA   PHE  61           HA       PHE  61   2.036   9.000  -4.841
  424   1HB   PHE  61          2HB       PHE  61   0.651  10.573  -3.636
  425   2HB   PHE  61          1HB       PHE  61  -0.273  10.954  -5.102
  426    HD1  PHE  61           1HD      PHE  61  -2.081   9.585  -5.778
  427    HD2  PHE  61           2HD      PHE  61   0.696   8.196  -2.815
  428    HE1  PHE  61           1HE      PHE  61  -3.425   7.540  -5.479
  429    HE2  PHE  61           2HE      PHE  61  -0.666   6.156  -2.497
  430    HZ   PHE  61           HZ       PHE  61  -2.694   5.837  -3.856
  431    H    ARG  62           H        ARG  62  -0.218  10.462  -7.227
  432    HA   ARG  62           HA       ARG  62  -1.440   8.240  -8.196
  433   1HB   ARG  62          2HB       ARG  62  -0.329  10.451  -9.948
  434   2HB   ARG  62          1HB       ARG  62  -1.640   9.353 -10.374
  435   1HG   ARG  62          2HG       ARG  62  -1.873  10.978  -7.845
  436   2HG   ARG  62          1HG       ARG  62  -2.183  11.756  -9.396
  437   1HD   ARG  62          2HD       ARG  62  -3.509   9.127  -8.803
  438   2HD   ARG  62          1HD       ARG  62  -4.147  10.596  -8.073
  439    HE   ARG  62           HE       ARG  62  -3.809  11.145 -10.782
  440   1HH1  ARG  62          1HH2      ARG  62  -5.571   8.947  -8.770
  441   2HH1  ARG  62          2HH2      ARG  62  -6.902   8.794  -9.868
  442   1HH2  ARG  62          1HH1      ARG  62  -5.551  10.949 -12.224
  443   2HH2  ARG  62          2HH1      ARG  62  -6.890   9.928 -11.822
  444    H    HIS  63           H        HIS  63   1.823   9.328  -9.004
  445    HA   HIS  63           HA       HIS  63   2.274   7.034 -10.721
  446   1HB   HIS  63          2HB       HIS  63   3.461   9.274 -10.948
  447   2HB   HIS  63          1HB       HIS  63   4.344   8.862  -9.483
  448    HD1  HIS  63           1HD      HIS  63   6.623   8.156 -10.224
  449    HD2  HIS  63           2HD      HIS  63   3.644   6.532 -12.647
  450    HE1  HIS  63           1HE      HIS  63   7.790   6.604 -11.850
  451    HE2  HIS  63           2HE      HIS  63   5.987   5.605 -13.334
  452    H    GLY  64           H        GLY  64   3.120   8.092  -7.450
  453   1HA   GLY  64          2HA       GLY  64   4.783   6.093  -6.590
  454   2HA   GLY  64          1HA       GLY  64   3.588   6.856  -5.560
  455    H    PHE  65           H        PHE  65   1.172   5.944  -6.487
  456    HA   PHE  65           HA       PHE  65   1.210   3.254  -5.542
  457   1HB   PHE  65          2HB       PHE  65  -1.013   3.654  -5.229
  458   2HB   PHE  65          1HB       PHE  65  -0.874   5.175  -6.087
  459    HD1  PHE  65           1HD      PHE  65  -0.736   4.865  -8.781
  460    HD2  PHE  65           2HD      PHE  65  -2.525   2.078  -6.062
  461    HE1  PHE  65           1HE      PHE  65  -2.049   3.945 -10.626
  462    HE2  PHE  65           2HE      PHE  65  -3.865   1.148  -7.930
  463    HZ   PHE  65           HZ       PHE  65  -3.613   2.094 -10.209
  464    H    ASP  66           H        ASP  66   1.426   4.750  -8.677
  465    HA   ASP  66           HA       ASP  66   0.938   2.382 -10.207
  466   1HB   ASP  66          2HB       ASP  66   0.824   4.826 -11.010
  467   2HB   ASP  66          1HB       ASP  66   2.580   4.751 -11.138
  468    H    ILE  67           H        ILE  67   3.748   3.880  -8.719
  469    HA   ILE  67           HA       ILE  67   5.754   2.342 -10.013
  470    HB   ILE  67           HB       ILE  67   5.666   3.780  -7.341
  471   1HG1  ILE  67          2HG1      ILE  67   7.080   4.361  -9.961
  472   2HG1  ILE  67          1HG1      ILE  67   5.579   5.103  -9.424
  473   1HG2  ILE  67          1HG2      ILE  67   7.965   2.309  -8.685
  474   2HG2  ILE  67          2HG2      ILE  67   7.300   1.998  -7.081
  475   3HG2  ILE  67          3HG2      ILE  67   8.188   3.485  -7.390
  476   1HD1  ILE  67          1HD1      ILE  67   8.357   5.475  -8.352
  477   2HD1  ILE  67          2HD1      ILE  67   6.980   5.725  -7.277
  478   3HD1  ILE  67          3HD1      ILE  67   7.144   6.694  -8.741
  479    H    LEU  68           H        LEU  68   4.351   2.089  -6.776
  480    HA   LEU  68           HA       LEU  68   5.444  -0.388  -6.081
  481   1HB   LEU  68          2HB       LEU  68   3.098   1.218  -5.209
  482   2HB   LEU  68          1HB       LEU  68   3.058  -0.493  -4.782
  483    HG   LEU  68           HG       LEU  68   5.401  -0.213  -3.822
  484   1HD1  LEU  68          1HD1      LEU  68   6.092   1.794  -4.986
  485   2HD1  LEU  68          2HD1      LEU  68   6.046   2.145  -3.260
  486   3HD1  LEU  68          3HD1      LEU  68   4.742   2.705  -4.306
  487   1HD2  LEU  68          1HD2      LEU  68   4.619   1.051  -1.791
  488   2HD2  LEU  68          2HD2      LEU  68   3.567  -0.273  -2.278
  489   3HD2  LEU  68          3HD2      LEU  68   3.118   1.392  -2.647
  490    H    VAL  69           H        VAL  69   2.297   0.318  -7.581
  491    HA   VAL  69           HA       VAL  69   1.559  -2.375  -8.011
  492    HB   VAL  69           HB       VAL  69   0.700   0.228  -9.289
  493   1HG1  VAL  69          1HG1      VAL  69  -0.396  -2.568  -9.527
  494   2HG1  VAL  69          2HG1      VAL  69   0.142  -1.494 -10.824
  495   3HG1  VAL  69          3HG1      VAL  69  -1.327  -1.123  -9.927
  496   1HG2  VAL  69          1HG2      VAL  69   0.324  -0.218  -6.784
  497   2HG2  VAL  69          2HG2      VAL  69  -0.773  -1.502  -7.290
  498   3HG2  VAL  69          3HG2      VAL  69  -1.109   0.171  -7.734
  499    H    GLY  70           H        GLY  70   3.760  -0.266  -9.590
  500   1HA   GLY  70          2HA       GLY  70   3.683  -1.630 -12.158
  501   2HA   GLY  70          1HA       GLY  70   4.791  -0.344 -11.685
  502    H    GLN  71           H        GLN  71   5.554  -1.675  -9.194
  503    HA   GLN  71           HA       GLN  71   7.617  -3.414 -10.281
  504   1HB   GLN  71          2HB       GLN  71   7.047  -2.525  -7.438
  505   2HB   GLN  71          1HB       GLN  71   8.478  -3.413  -7.967
  506   1HG   GLN  71          2HG       GLN  71   9.239  -1.601  -9.295
  507   2HG   GLN  71          1HG       GLN  71   7.683  -0.786  -9.211
  508   1HE2  GLN  71          1HE2      GLN  71   7.186  -0.958  -6.413
  509   2HE2  GLN  71          2HE2      GLN  71   8.374  -0.061  -5.606
  510    H    ILE  72           H        ILE  72   4.951  -3.597  -7.970
  511    HA   ILE  72           HA       ILE  72   5.045  -6.190  -7.098
  512    HB   ILE  72           HB       ILE  72   2.797  -4.339  -7.814
  513   1HG1  ILE  72          2HG1      ILE  72   3.077  -5.794  -5.199
  514   2HG1  ILE  72          1HG1      ILE  72   4.247  -4.538  -5.572
  515   1HG2  ILE  72          1HG2      ILE  72   1.758  -6.363  -8.512
  516   2HG2  ILE  72          2HG2      ILE  72   1.201  -6.111  -6.858
  517   3HG2  ILE  72          3HG2      ILE  72   2.478  -7.281  -7.188
  518   1HD1  ILE  72          1HD1      ILE  72   2.560  -2.870  -5.767
  519   2HD1  ILE  72          2HD1      ILE  72   2.172  -3.774  -4.311
  520   3HD1  ILE  72          3HD1      ILE  72   1.275  -4.071  -5.797
  521    H    ASP  73           H        ASP  73   3.714  -5.062 -10.207
  522    HA   ASP  73           HA       ASP  73   3.098  -7.679 -11.183
  523   1HB   ASP  73          2HB       ASP  73   2.111  -5.564 -12.087
  524   2HB   ASP  73          1HB       ASP  73   3.683  -5.172 -12.783
  525    H    ASP  74           H        ASP  74   5.780  -5.432 -11.842
  526    HA   ASP  74           HA       ASP  74   7.308  -6.978 -13.532
  527   1HB   ASP  74          2HB       ASP  74   7.680  -4.552 -12.738
  528   2HB   ASP  74          1HB       ASP  74   8.529  -5.273 -11.370
  529    H    ALA  75           H        ALA  75   6.726  -7.258 -10.142
  530    HA   ALA  75           HA       ALA  75   8.998  -8.862  -9.509
  531   1HB   ALA  75          1HB       ALA  75   8.023  -9.125  -7.372
  532   2HB   ALA  75          2HB       ALA  75   6.398  -8.841  -7.990
  533   3HB   ALA  75          3HB       ALA  75   7.547  -7.510  -7.892
  534    H    LEU  76           H        LEU  76   5.520  -9.683  -9.889
  535    HA   LEU  76           HA       LEU  76   5.902 -12.467  -9.708
  536   1HB   LEU  76          2HB       LEU  76   3.673 -11.263  -9.588
  537   2HB   LEU  76          1HB       LEU  76   3.746 -11.141 -11.344
  538    HG   LEU  76           HG       LEU  76   4.231 -13.783 -11.183
  539   1HD1  LEU  76          1HD1      LEU  76   2.659 -13.173  -8.651
  540   2HD1  LEU  76          2HD1      LEU  76   4.293 -13.833  -8.720
  541   3HD1  LEU  76          3HD1      LEU  76   2.933 -14.780  -9.322
  542   1HD2  LEU  76          1HD2      LEU  76   1.518 -12.444 -10.861
  543   2HD2  LEU  76          2HD2      LEU  76   1.731 -14.141 -11.295
  544   3HD2  LEU  76          3HD2      LEU  76   2.319 -12.874 -12.372
  545    H    LYS  77           H        LYS  77   5.447 -10.437 -12.620
  546    HA   LYS  77           HA       LYS  77   5.824 -12.426 -14.535
  547   1HB   LYS  77          2HB       LYS  77   6.071 -10.704 -16.088
  548   2HB   LYS  77          1HB       LYS  77   5.256  -9.904 -14.784
  549   1HG   LYS  77          2HG       LYS  77   6.957  -8.396 -15.325
  550   2HG   LYS  77          1HG       LYS  77   7.540  -9.216 -13.890
  551   1HD   LYS  77          2HD       LYS  77   9.104  -8.789 -16.027
  552   2HD   LYS  77          1HD       LYS  77   9.306 -10.185 -14.999
  553   1HE   LYS  77          2HE       LYS  77   9.352 -10.772 -17.408
  554   2HE   LYS  77          1HE       LYS  77   8.007 -11.562 -16.595
  555   1HZ   LYS  77          1HZ       LYS  77   6.639 -10.570 -18.006
  556   2HZ   LYS  77          2HZ       LYS  77   7.941  -9.784 -18.763
  557   3HZ   LYS  77          3HZ       LYS  77   7.144  -9.047 -17.456
  558    H    LEU  78           H        LEU  78   8.220 -10.832 -12.532
  559    HA   LEU  78           HA       LEU  78  10.424 -12.080 -13.931
  560   1HB   LEU  78          2HB       LEU  78  10.765  -9.939 -12.820
  561   2HB   LEU  78          1HB       LEU  78  10.317 -10.652 -11.272
  562    HG   LEU  78           HG       LEU  78  12.274 -12.030 -11.225
  563   1HD1  LEU  78          1HD1      LEU  78  13.943 -11.847 -13.200
  564   2HD1  LEU  78          2HD1      LEU  78  12.576 -11.243 -14.133
  565   3HD1  LEU  78          3HD1      LEU  78  12.528 -12.866 -13.443
  566   1HD2  LEU  78          1HD2      LEU  78  14.013 -10.375 -11.241
  567   2HD2  LEU  78          2HD2      LEU  78  12.517  -9.560 -10.779
  568   3HD2  LEU  78          3HD2      LEU  78  13.137  -9.401 -12.420
  569    H    ALA  79           H        ALA  79   8.464 -12.641 -11.063
  570    HA   ALA  79           HA       ALA  79  10.002 -14.927 -10.171
  571   1HB   ALA  79          1HB       ALA  79   8.512 -15.045  -8.373
  572   2HB   ALA  79          2HB       ALA  79   7.175 -14.366  -9.303
  573   3HB   ALA  79          3HB       ALA  79   8.487 -13.324  -8.755
  574    H    ASN  80           H        ASN  80   7.837 -14.300 -12.607
  575    HA   ASN  80           HA       ASN  80   6.570 -16.921 -12.687
  576   1HB   ASN  80          2HB       ASN  80   5.445 -14.724 -13.385
  577   2HB   ASN  80          1HB       ASN  80   6.475 -14.777 -14.815
  578   1HD2  ASN  80          1HD2      ASN  80   3.402 -15.368 -14.128
  579   2HD2  ASN  80          2HD2      ASN  80   3.112 -16.768 -15.042
  580    H    GLU  81           H        GLU  81   9.158 -15.074 -14.039
  581    HA   GLU  81           HA       GLU  81  10.118 -17.396 -15.597
  582   1HB   GLU  81          2HB       GLU  81   9.153 -15.421 -16.966
  583   2HB   GLU  81          1HB       GLU  81  10.586 -14.537 -16.433
  584   1HG   GLU  81          2HG       GLU  81  12.008 -16.375 -17.354
  585   2HG   GLU  81          1HG       GLU  81  10.551 -17.145 -17.982
  586    H    GLY  82           H        GLY  82  10.870 -17.047 -13.002
  587   1HA   GLY  82          2HA       GLY  82  13.617 -17.044 -12.959
  588   2HA   GLY  82          1HA       GLY  82  13.153 -15.362 -12.681
  589    H    LYS  83           H        LYS  83  12.941 -18.622 -11.481
  590    HA   LYS  83           HA       LYS  83  11.289 -18.707  -9.439
  591   1HB   LYS  83          2HB       LYS  83  12.488 -20.443  -8.539
  592   2HB   LYS  83          1HB       LYS  83  13.225 -20.336 -10.126
  593   1HG   LYS  83          2HG       LYS  83  15.207 -20.259  -8.994
  594   2HG   LYS  83          1HG       LYS  83  14.808 -18.577  -8.686
  595   1HD   LYS  83          2HD       LYS  83  15.220 -19.380  -6.521
  596   2HD   LYS  83          1HD       LYS  83  13.475 -19.553  -6.628
  597   1HE   LYS  83          2HE       LYS  83  14.265 -21.627  -5.762
  598   2HE   LYS  83          1HE       LYS  83  13.917 -21.937  -7.462
  599   1HZ   LYS  83          1HZ       LYS  83  16.222 -22.560  -6.314
  600   2HZ   LYS  83          2HZ       LYS  83  16.596 -20.991  -6.850
  601   3HZ   LYS  83          3HZ       LYS  83  16.085 -22.173  -7.959
  602    H    VAL  84           H        VAL  84  11.511 -18.600  -7.100
  603    HA   VAL  84           HA       VAL  84  11.337 -16.111  -6.128
  604    HB   VAL  84           HB       VAL  84  12.336 -18.523  -4.613
  605   1HG1  VAL  84          1HG1      VAL  84  10.918 -16.961  -2.817
  606   2HG1  VAL  84          2HG1      VAL  84  11.753 -15.731  -3.768
  607   3HG1  VAL  84          3HG1      VAL  84  12.680 -16.981  -2.943
  608   1HG2  VAL  84          1HG2      VAL  84  10.217 -19.150  -5.382
  609   2HG2  VAL  84          2HG2      VAL  84   9.624 -17.492  -5.433
  610   3HG2  VAL  84          3HG2      VAL  84   9.784 -18.327  -3.892
  611    H    LYS  85           H        LYS  85  14.405 -17.749  -6.639
  612    HA   LYS  85           HA       LYS  85  15.985 -16.097  -4.971
  613   1HB   LYS  85          2HB       LYS  85  16.567 -17.741  -7.416
  614   2HB   LYS  85          1HB       LYS  85  17.800 -16.629  -6.839
  615   1HG   LYS  85          2HG       LYS  85  16.485 -18.454  -4.836
  616   2HG   LYS  85          1HG       LYS  85  17.698 -19.131  -5.922
  617   1HD   LYS  85          2HD       LYS  85  19.373 -17.601  -5.144
  618   2HD   LYS  85          1HD       LYS  85  18.177 -16.635  -4.278
  619   1HE   LYS  85          2HE       LYS  85  19.560 -18.236  -2.845
  620   2HE   LYS  85          1HE       LYS  85  17.811 -18.358  -2.665
  621   1HZ   LYS  85          1HZ       LYS  85  19.325 -20.460  -3.098
  622   2HZ   LYS  85          2HZ       LYS  85  19.066 -20.011  -4.717
  623   3HZ   LYS  85          3HZ       LYS  85  17.744 -20.352  -3.705
  624    H    GLU  86           H        GLU  86  14.710 -15.608  -8.200
  625    HA   GLU  86           HA       GLU  86  16.178 -13.129  -8.609
  626   1HB   GLU  86          2HB       GLU  86  13.873 -14.237 -10.227
  627   2HB   GLU  86          1HB       GLU  86  15.036 -13.011 -10.729
  628   1HG   GLU  86          2HG       GLU  86  16.841 -14.801 -10.316
  629   2HG   GLU  86          1HG       GLU  86  15.509 -15.955 -10.264
  630    H    ALA  87           H        ALA  87  13.075 -14.184  -7.494
  631    HA   ALA  87           HA       ALA  87  11.804 -11.608  -7.652
  632   1HB   ALA  87          1HB       ALA  87   9.905 -12.636  -6.765
  633   2HB   ALA  87          2HB       ALA  87  10.841 -13.827  -5.868
  634   3HB   ALA  87          3HB       ALA  87  10.687 -13.964  -7.619
  635    H    GLN  88           H        GLN  88  13.140 -13.625  -5.039
  636    HA   GLN  88           HA       GLN  88  12.656 -11.798  -2.948
  637   1HB   GLN  88          2HB       GLN  88  13.741 -13.319  -1.605
  638   2HB   GLN  88          1HB       GLN  88  13.474 -14.351  -3.001
  639   1HG   GLN  88          2HG       GLN  88  15.742 -14.711  -2.566
  640   2HG   GLN  88          1HG       GLN  88  15.808 -13.454  -3.788
  641   1HE2  GLN  88          1HE2      GLN  88  14.690 -11.590  -1.598
  642   2HE2  GLN  88          2HE2      GLN  88  16.057 -11.157  -0.699
  643    H    ALA  89           H        ALA  89  15.294 -12.121  -5.249
  644    HA   ALA  89           HA       ALA  89  16.897 -10.061  -4.018
  645   1HB   ALA  89          1HB       ALA  89  17.050 -11.268  -6.793
  646   2HB   ALA  89          2HB       ALA  89  17.930 -11.846  -5.378
  647   3HB   ALA  89          3HB       ALA  89  18.279 -10.250  -6.042
  648    H    ALA  90           H        ALA  90  14.716 -10.361  -6.805
  649    HA   ALA  90           HA       ALA  90  15.029  -7.643  -7.628
  650   1HB   ALA  90          1HB       ALA  90  12.986  -8.044  -8.967
  651   2HB   ALA  90          2HB       ALA  90  12.805  -9.606  -8.175
  652   3HB   ALA  90          3HB       ALA  90  14.208  -9.292  -9.193
  653    H    ALA  91           H        ALA  91  13.324  -9.150  -5.077
  654    HA   ALA  91           HA       ALA  91  11.237  -7.191  -4.801
  655   1HB   ALA  91          1HB       ALA  91  10.894  -9.425  -3.931
  656   2HB   ALA  91          2HB       ALA  91  10.877  -8.279  -2.591
  657   3HB   ALA  91          3HB       ALA  91  12.305  -9.272  -2.885
  658    H    GLU  92           H        GLU  92  14.206  -7.887  -2.926
  659    HA   GLU  92           HA       GLU  92  14.012  -5.801  -1.115
  660   1HB   GLU  92          2HB       GLU  92  16.578  -5.894  -1.097
  661   2HB   GLU  92          1HB       GLU  92  15.708  -7.378  -0.703
  662   1HG   GLU  92          2HG       GLU  92  15.996  -8.201  -2.966
  663   2HG   GLU  92          1HG       GLU  92  16.756  -6.688  -3.456
  664    H    GLN  93           H        GLN  93  15.319  -5.695  -4.450
  665    HA   GLN  93           HA       GLN  93  16.340  -3.063  -4.220
  666   1HB   GLN  93          2HB       GLN  93  16.080  -2.989  -6.740
  667   2HB   GLN  93          1HB       GLN  93  17.055  -4.317  -6.108
  668   1HG   GLN  93          2HG       GLN  93  15.146  -5.812  -6.247
  669   2HG   GLN  93          1HG       GLN  93  14.127  -4.500  -6.829
  670   1HE2  GLN  93          1HE2      GLN  93  14.184  -4.030  -9.067
  671   2HE2  GLN  93          2HE2      GLN  93  15.231  -4.796 -10.163
  672    H    LEU  94           H        LEU  94  13.121  -4.195  -4.238
  673    HA   LEU  94           HA       LEU  94  11.946  -1.785  -5.352
  674   1HB   LEU  94          2HB       LEU  94  10.578  -3.894  -3.658
  675   2HB   LEU  94          1HB       LEU  94   9.806  -2.693  -4.685
  676    HG   LEU  94           HG       LEU  94  11.520  -5.015  -5.577
  677   1HD1  LEU  94          1HD1      LEU  94   9.319  -5.782  -5.139
  678   2HD1  LEU  94          2HD1      LEU  94   9.365  -5.509  -6.880
  679   3HD1  LEU  94          3HD1      LEU  94   8.590  -4.329  -5.824
  680   1HD2  LEU  94          1HD2      LEU  94  10.513  -2.595  -7.058
  681   2HD2  LEU  94          2HD2      LEU  94  10.769  -4.118  -7.909
  682   3HD2  LEU  94          3HD2      LEU  94  12.117  -3.322  -7.100
  683    H    LYS  95           H        LYS  95  12.303  -3.242  -2.131
  684    HA   LYS  95           HA       LYS  95  11.085  -1.288  -0.586
  685   1HB   LYS  95          2HB       LYS  95  13.689  -2.669   0.132
  686   2HB   LYS  95          1HB       LYS  95  12.547  -1.941   1.254
  687   1HG   LYS  95          2HG       LYS  95  12.249  -4.488  -0.341
  688   2HG   LYS  95          1HG       LYS  95  12.076  -4.246   1.388
  689   1HD   LYS  95          2HD       LYS  95  10.051  -2.787   0.859
  690   2HD   LYS  95          1HD       LYS  95  10.159  -3.402  -0.793
  691   1HE   LYS  95          2HE       LYS  95   8.591  -4.774   0.480
  692   2HE   LYS  95          1HE       LYS  95  10.030  -5.721   0.099
  693   1HZ   LYS  95          1HZ       LYS  95  10.759  -5.659   2.250
  694   2HZ   LYS  95          2HZ       LYS  95   9.080  -5.671   2.509
  695   3HZ   LYS  95          3HZ       LYS  95   9.948  -4.214   2.615
  696    H    THR  96           H        THR  96  14.194  -1.240  -2.193
  697    HA   THR  96           HA       THR  96  15.090   1.192  -0.941
  698    HB   THR  96           HB       THR  96  16.019   0.136  -3.598
  699    HG1  THR  96           1HG      THR  96  16.151  -1.619  -2.310
  700   1HG2  THR  96          1HG2      THR  96  16.889   2.318  -2.850
  701   2HG2  THR  96          2HG2      THR  96  18.162   1.097  -2.861
  702   3HG2  THR  96          3HG2      THR  96  17.420   1.583  -1.336
  703    H    THR  97           H        THR  97  13.495   0.341  -3.985
  704    HA   THR  97           HA       THR  97  13.589   2.848  -5.227
  705    HB   THR  97           HB       THR  97  11.352   0.825  -5.450
  706    HG1  THR  97           1HG      THR  97  13.953   0.622  -6.015
  707   1HG2  THR  97          1HG2      THR  97  12.394   3.041  -7.226
  708   2HG2  THR  97          2HG2      THR  97  10.771   2.863  -6.560
  709   3HG2  THR  97          3HG2      THR  97  11.335   1.762  -7.816
  710    H    ILE  98           H        ILE  98  11.002   1.445  -3.173
  711    HA   ILE  98           HA       ILE  98   9.393   3.773  -3.270
  712    HB   ILE  98           HB       ILE  98   8.030   2.788  -1.641
  713   1HG1  ILE  98          2HG1      ILE  98  10.469   1.272  -0.663
  714   2HG1  ILE  98          1HG1      ILE  98   9.676   2.596   0.195
  715   1HG2  ILE  98          1HG2      ILE  98   9.494   0.371  -2.714
  716   2HG2  ILE  98          2HG2      ILE  98   8.445   1.372  -3.719
  717   3HG2  ILE  98          3HG2      ILE  98   7.779   0.517  -2.328
  718   1HD1  ILE  98          1HD1      ILE  98   8.849   0.583   1.181
  719   2HD1  ILE  98          2HD1      ILE  98   8.586  -0.170  -0.393
  720   3HD1  ILE  98          3HD1      ILE  98   7.558   1.165   0.129
  721    H    ARG  99           H        ARG  99  12.197   2.865  -1.400
  722    HA   ARG  99           HA       ARG  99  11.784   4.776   0.652
  723   1HB   ARG  99          2HB       ARG  99  13.364   2.880   0.904
  724   2HB   ARG  99          1HB       ARG  99  14.412   3.610  -0.308
  725   1HG   ARG  99          2HG       ARG  99  15.171   4.137   1.992
  726   2HG   ARG  99          1HG       ARG  99  14.724   5.590   1.103
  727   1HD   ARG  99          2HD       ARG  99  12.884   5.997   2.439
  728   2HD   ARG  99          1HD       ARG  99  12.554   4.288   2.701
  729    HE   ARG  99           HE       ARG  99  14.144   5.988   4.372
  730   1HH1  ARG  99          1HH2      ARG  99  13.793   2.775   3.138
  731   2HH1  ARG  99          2HH2      ARG  99  14.583   2.024   4.482
  732   1HH2  ARG  99          1HH1      ARG  99  15.183   5.010   6.138
  733   2HH2  ARG  99          2HH1      ARG  99  15.371   3.289   6.181
  734    H    ALA 100           H        ALA 100  12.913   4.994  -2.592
  735    HA   ALA 100           HA       ALA 100  14.234   7.537  -2.298
  736   1HB   ALA 100          1HB       ALA 100  12.950   6.332  -4.774
  737   2HB   ALA 100          2HB       ALA 100  14.606   6.007  -4.259
  738   3HB   ALA 100          3HB       ALA 100  14.133   7.639  -4.733
  739    H    TYR 101           H        TYR 101  11.016   6.322  -2.979
  740    HA   TYR 101           HA       TYR 101   9.862   8.935  -3.399
  741   1HB   TYR 101          2HB       TYR 101   8.581   7.357  -4.505
  742   2HB   TYR 101          1HB       TYR 101   8.895   6.106  -3.308
  743    HD1  TYR 101           1HD      TYR 101   7.109   9.377  -3.712
  744    HD2  TYR 101           2HD      TYR 101   7.220   5.558  -1.754
  745    HE1  TYR 101           1HE      TYR 101   4.916   9.856  -2.655
  746    HE2  TYR 101           2HE      TYR 101   5.029   6.036  -0.697
  747    HH   TYR 101           HH       TYR 101   2.962   7.643  -1.394
  748    H    ASN 102           H        ASN 102   9.822   6.497  -0.815
  749    HA   ASN 102           HA       ASN 102   8.278   7.914   1.047
  750   1HB   ASN 102          2HB       ASN 102   9.267   5.417   0.979
  751   2HB   ASN 102          1HB       ASN 102  10.490   6.138   2.016
  752   1HD2  ASN 102          1HD2      ASN 102   6.929   5.954   1.708
  753   2HD2  ASN 102          2HD2      ASN 102   6.637   5.933   3.378
  754    H    GLN 103           H        GLN 103  11.762   7.876   0.460
  755    HA   GLN 103           HA       GLN 103  12.352   9.649   2.656
  756   1HB   GLN 103          2HB       GLN 103  13.968   7.950   1.757
  757   2HB   GLN 103          1HB       GLN 103  14.078   8.928   0.293
  758   1HG   GLN 103          2HG       GLN 103  15.086  10.737   1.429
  759   2HG   GLN 103          1HG       GLN 103  14.595  10.133   3.010
  760   1HE2  GLN 103          1HE2      GLN 103  16.343   8.599   0.239
  761   2HE2  GLN 103          2HE2      GLN 103  17.645   8.060   1.184
  762    H    LYS 104           H        LYS 104  11.958   9.889  -0.842
  763    HA   LYS 104           HA       LYS 104  12.912  12.387  -1.414
  764   1HB   LYS 104          2HB       LYS 104  11.947  11.329  -3.259
  765   2HB   LYS 104          1HB       LYS 104  10.470  10.932  -2.389
  766   1HG   LYS 104          2HG       LYS 104   9.555  13.069  -2.684
  767   2HG   LYS 104          1HG       LYS 104  11.137  13.829  -2.868
  768   1HD   LYS 104          2HD       LYS 104   9.899  13.723  -5.020
  769   2HD   LYS 104          1HD       LYS 104  11.400  12.797  -5.080
  770   1HE   LYS 104          2HE       LYS 104  10.256  10.725  -4.872
  771   2HE   LYS 104          1HE       LYS 104   8.764  11.510  -4.355
  772   1HZ   LYS 104          1HZ       LYS 104   8.538  12.488  -6.535
  773   2HZ   LYS 104          2HZ       LYS 104   8.680  10.800  -6.677
  774   3HZ   LYS 104          3HZ       LYS 104  10.005  11.800  -7.038
  775    H    TYR 105           H        TYR 105   9.749  11.621  -0.020
  776    HA   TYR 105           HA       TYR 105   9.379  14.460   0.721
  777   1HB   TYR 105          2HB       TYR 105   7.581  12.232   0.008
  778   2HB   TYR 105          1HB       TYR 105   7.044  13.112   1.437
  779    HD1  TYR 105           1HD      TYR 105   6.774  13.036  -2.044
  780    HD2  TYR 105           2HD      TYR 105   7.405  15.804   1.177
  781    HE1  TYR 105           1HE      TYR 105   5.995  14.883  -3.485
  782    HE2  TYR 105           2HE      TYR 105   6.609  17.658  -0.266
  783    HH   TYR 105           HH       TYR 105   5.160  17.928  -2.279
  784    H    GLY 106           H        GLY 106   9.961  11.291   2.019
  785   1HA   GLY 106          2HA       GLY 106   9.075  11.375   4.596
  786   2HA   GLY 106          1HA       GLY 106  10.626  10.683   4.145
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1   4.398 -31.559  15.543
    2   2H    ALA   1          2HT       ALA   1   5.449 -30.411  14.859
    3   3H    ALA   1          3HT       ALA   1   5.049 -31.820  13.998
    4    HA   ALA   1           HA       ALA   1   2.631 -30.660  14.585
    5   1HB   ALA   1          1HB       ALA   1   4.642 -28.615  13.592
    6   2HB   ALA   1          2HB       ALA   1   3.862 -28.598  15.174
    7   3HB   ALA   1          3HB       ALA   1   2.899 -28.371  13.714
    8    H    ASP   2           H        ASP   2   1.881 -29.531  12.324
    9    HA   ASP   2           HA       ASP   2   3.170 -30.678  10.001
   10   1HB   ASP   2          2HB       ASP   2   1.963 -32.639  10.771
   11   2HB   ASP   2          1HB       ASP   2   0.472 -31.709  10.908
   12    H    LEU   3           H        LEU   3  -0.030 -29.481  11.085
   13    HA   LEU   3           HA       LEU   3   0.166 -27.064   9.616
   14   1HB   LEU   3          2HB       LEU   3  -1.555 -27.552   7.891
   15   2HB   LEU   3          1HB       LEU   3  -0.064 -28.460   7.659
   16    HG   LEU   3           HG       LEU   3  -1.446 -30.240   9.219
   17   1HD1  LEU   3          1HD1      LEU   3  -3.775 -30.339   8.304
   18   2HD1  LEU   3          2HD1      LEU   3  -3.519 -28.755   7.574
   19   3HD1  LEU   3          3HD1      LEU   3  -3.495 -28.933   9.328
   20   1HD2  LEU   3          1HD2      LEU   3  -1.661 -29.937   6.206
   21   2HD2  LEU   3          2HD2      LEU   3  -2.026 -31.411   7.104
   22   3HD2  LEU   3          3HD2      LEU   3  -0.380 -30.777   7.080
   23    H    GLU   4           H        GLU   4  -1.168 -29.038  11.872
   24    HA   GLU   4           HA       GLU   4  -3.819 -27.898  12.010
   25   1HB   GLU   4          2HB       GLU   4  -2.251 -29.596  13.965
   26   2HB   GLU   4          1HB       GLU   4  -3.942 -29.135  14.167
   27   1HG   GLU   4          2HG       GLU   4  -4.478 -30.229  12.003
   28   2HG   GLU   4          1HG       GLU   4  -2.795 -30.734  11.860
   29    H    ASP   5           H        ASP   5  -2.535 -25.689  11.890
   30    HA   ASP   5           HA       ASP   5  -1.520 -24.741  14.430
   31   1HB   ASP   5          2HB       ASP   5  -1.392 -22.553  13.251
   32   2HB   ASP   5          1HB       ASP   5  -0.570 -23.847  12.382
   33    H    ASN   6           H        ASN   6  -3.505 -25.319  15.631
   34    HA   ASN   6           HA       ASN   6  -5.221 -23.002  15.897
   35   1HB   ASN   6          2HB       ASN   6  -6.403 -25.681  15.124
   36   2HB   ASN   6          1HB       ASN   6  -7.321 -24.257  15.609
   37   1HD2  ASN   6          1HD2      ASN   6  -5.423 -25.681  12.994
   38   2HD2  ASN   6          2HD2      ASN   6  -5.787 -24.488  11.842
   39    H    ASP   7           H        ASP   7  -4.282 -22.951  17.982
   40    HA   ASP   7           HA       ASP   7  -4.087 -23.466  20.216
   41   1HB   ASP   7          2HB       ASP   7  -6.558 -23.124  20.003
   42   2HB   ASP   7          1HB       ASP   7  -6.733 -24.863  19.770
   43    H    GLU   8           H        GLU   8  -2.335 -24.841  20.246
   44    HA   GLU   8           HA       GLU   8  -2.524 -27.617  19.545
   45   1HB   GLU   8          2HB       GLU   8  -0.417 -26.230  19.439
   46   2HB   GLU   8          1HB       GLU   8  -0.373 -26.287  21.202
   47   1HG   GLU   8          2HG       GLU   8  -0.390 -28.777  21.087
   48   2HG   GLU   8          1HG       GLU   8  -0.324 -28.670  19.329
   49    H    THR   9           H        THR   9  -2.074 -25.923  22.657
   50    HA   THR   9           HA       THR   9  -3.349 -28.234  24.024
   51    HB   THR   9           HB       THR   9  -1.827 -27.850  25.918
   52    HG1  THR   9           1HG      THR   9  -0.906 -25.980  25.961
   53   1HG2  THR   9          1HG2      THR   9  -0.270 -28.131  23.337
   54   2HG2  THR   9          2HG2      THR   9  -1.237 -29.427  24.044
   55   3HG2  THR   9          3HG2      THR   9   0.158 -28.789  24.916
   56    H    GLY  10           H        GLY  10  -2.484 -24.788  24.298
   57   1HA   GLY  10          2HA       GLY  10  -5.088 -23.933  24.947
   58   2HA   GLY  10          1HA       GLY  10  -4.183 -24.152  26.442
   59    H    ASN  11           H        ASN  11  -2.716 -23.183  23.405
   60    HA   ASN  11           HA       ASN  11  -2.509 -20.381  24.298
   61   1HB   ASN  11          2HB       ASN  11  -0.122 -22.069  23.508
   62   2HB   ASN  11          1HB       ASN  11  -0.097 -20.356  23.922
   63   1HD2  ASN  11          1HD2      ASN  11  -0.350 -23.612  25.253
   64   2HD2  ASN  11          2HD2      ASN  11  -0.257 -23.145  26.883
   65    H    ASP  12           H        ASP  12  -3.443 -19.361  22.646
   66    HA   ASP  12           HA       ASP  12  -3.547 -20.299  19.982
   67   1HB   ASP  12          2HB       ASP  12  -3.876 -17.472  21.012
   68   2HB   ASP  12          1HB       ASP  12  -4.407 -18.070  19.440
   69    H    ASN  13           H        ASN  13  -1.311 -18.176  21.676
   70    HA   ASN  13           HA       ASN  13   0.660 -18.513  19.585
   71   1HB   ASN  13          2HB       ASN  13  -0.434 -15.756  20.193
   72   2HB   ASN  13          1HB       ASN  13   0.965 -16.101  19.179
   73   1HD2  ASN  13          1HD2      ASN  13   0.582 -16.928  17.035
   74   2HD2  ASN  13          2HD2      ASN  13  -0.976 -17.044  16.373
   75    H    GLY  14           H        GLY  14   0.908 -19.466  22.049
   76   1HA   GLY  14          2HA       GLY  14   2.614 -17.532  23.533
   77   2HA   GLY  14          1HA       GLY  14   1.722 -18.852  24.283
   78    H    LYS  15           H        LYS  15   2.522 -20.469  21.766
   79    HA   LYS  15           HA       LYS  15   5.368 -20.932  22.305
   80   1HB   LYS  15          2HB       LYS  15   4.233 -22.431  23.857
   81   2HB   LYS  15          1HB       LYS  15   3.211 -23.043  22.555
   82   1HG   LYS  15          2HG       LYS  15   5.073 -24.035  21.435
   83   2HG   LYS  15          1HG       LYS  15   6.227 -23.200  22.472
   84   1HD   LYS  15          2HD       LYS  15   5.913 -25.601  23.105
   85   2HD   LYS  15          1HD       LYS  15   5.489 -24.487  24.405
   86   1HE   LYS  15          2HE       LYS  15   3.175 -24.807  24.092
   87   2HE   LYS  15          1HE       LYS  15   3.391 -25.467  22.470
   88   1HZ   LYS  15          1HZ       LYS  15   3.083 -27.373  23.643
   89   2HZ   LYS  15          2HZ       LYS  15   3.760 -26.754  25.073
   90   3HZ   LYS  15          3HZ       LYS  15   4.767 -27.243  23.795
   91    H    GLY  16           H        GLY  16   5.707 -20.140  20.186
   92   1HA   GLY  16          2HA       GLY  16   6.170 -21.739  18.123
   93   2HA   GLY  16          1HA       GLY  16   4.430 -21.532  17.945
   94    H    GLY  17           H        GLY  17   7.530 -19.861  17.959
   95   1HA   GLY  17          2HA       GLY  17   6.523 -17.283  17.281
   96   2HA   GLY  17          1HA       GLY  17   8.187 -17.829  17.089
   97    H    GLU  18           H        GLU  18   6.066 -19.964  15.608
   98    HA   GLU  18           HA       GLU  18   7.017 -19.388  12.996
   99   1HB   GLU  18          2HB       GLU  18   4.618 -21.044  13.820
  100   2HB   GLU  18          1HB       GLU  18   5.439 -21.105  12.261
  101   1HG   GLU  18          2HG       GLU  18   7.538 -21.772  13.433
  102   2HG   GLU  18          1HG       GLU  18   6.644 -21.811  14.952
  103    H    LYS  19           H        LYS  19   5.432 -19.074  11.132
  104    HA   LYS  19           HA       LYS  19   3.075 -17.492  11.685
  105   1HB   LYS  19          2HB       LYS  19   3.909 -15.494  10.435
  106   2HB   LYS  19          1HB       LYS  19   4.741 -15.758  11.963
  107   1HG   LYS  19          2HG       LYS  19   6.488 -17.072  10.572
  108   2HG   LYS  19          1HG       LYS  19   5.749 -16.310   9.169
  109   1HD   LYS  19          2HD       LYS  19   7.416 -14.759   9.662
  110   2HD   LYS  19          1HD       LYS  19   6.068 -14.085  10.574
  111   1HE   LYS  19          2HE       LYS  19   6.883 -15.146  12.625
  112   2HE   LYS  19          1HE       LYS  19   8.175 -15.942  11.729
  113   1HZ   LYS  19          1HZ       LYS  19   8.883 -13.895  12.881
  114   2HZ   LYS  19          2HZ       LYS  19   7.824 -12.999  11.898
  115   3HZ   LYS  19          3HZ       LYS  19   9.132 -13.834  11.203
  116    H    ALA  20           H        ALA  20   3.860 -16.263   8.860
  117    HA   ALA  20           HA       ALA  20   2.375 -18.232   7.365
  118   1HB   ALA  20          1HB       ALA  20   2.520 -16.674   5.531
  119   2HB   ALA  20          2HB       ALA  20   3.830 -15.793   6.318
  120   3HB   ALA  20          3HB       ALA  20   2.202 -15.743   6.995
  121    H    ASP  21           H        ASP  21   3.630 -18.161   4.866
  122    HA   ASP  21           HA       ASP  21   6.388 -18.994   5.172
  123   1HB   ASP  21          2HB       ASP  21   5.847 -21.297   4.180
  124   2HB   ASP  21          1HB       ASP  21   5.503 -21.050   5.890
  125    H    ASN  22           H        ASN  22   3.986 -20.155   2.835
  126    HA   ASN  22           HA       ASN  22   5.559 -18.913   0.682
  127   1HB   ASN  22          2HB       ASN  22   5.007 -21.372   0.690
  128   2HB   ASN  22          1HB       ASN  22   3.331 -20.954   0.457
  129   1HD2  ASN  22          1HD2      ASN  22   2.899 -21.361  -1.744
  130   2HD2  ASN  22          2HD2      ASN  22   3.886 -20.841  -3.023
  131    H    ALA  23           H        ALA  23   2.463 -19.739  -0.220
  132    HA   ALA  23           HA       ALA  23   1.689 -17.314  -1.254
  133   1HB   ALA  23          1HB       ALA  23  -0.679 -18.249  -1.003
  134   2HB   ALA  23          2HB       ALA  23   0.074 -19.632  -0.205
  135   3HB   ALA  23          3HB       ALA  23   0.478 -19.253  -1.878
  136    H    ALA  24           H        ALA  24   0.855 -18.625   1.961
  137    HA   ALA  24           HA       ALA  24  -0.819 -16.595   2.846
  138   1HB   ALA  24          1HB       ALA  24   1.167 -18.240   4.425
  139   2HB   ALA  24          2HB       ALA  24  -0.524 -18.638   4.117
  140   3HB   ALA  24          3HB       ALA  24  -0.113 -17.259   5.139
  141    H    GLN  25           H        GLN  25   2.719 -16.789   3.043
  142    HA   GLN  25           HA       GLN  25   3.172 -14.455   4.515
  143   1HB   GLN  25          2HB       GLN  25   4.843 -16.183   4.097
  144   2HB   GLN  25          1HB       GLN  25   4.862 -15.758   2.384
  145   1HG   GLN  25          2HG       GLN  25   5.927 -13.708   2.764
  146   2HG   GLN  25          1HG       GLN  25   5.407 -13.633   4.446
  147   1HE2  GLN  25          1HE2      GLN  25   6.840 -16.617   3.100
  148   2HE2  GLN  25          2HE2      GLN  25   8.285 -16.498   3.979
  149    H    VAL  26           H        VAL  26   3.026 -14.934   0.985
  150    HA   VAL  26           HA       VAL  26   3.593 -12.235   0.344
  151    HB   VAL  26           HB       VAL  26   2.989 -14.697  -1.070
  152   1HG1  VAL  26          1HG1      VAL  26   0.829 -13.707  -1.654
  153   2HG1  VAL  26          2HG1      VAL  26   1.881 -13.737  -3.067
  154   3HG1  VAL  26          3HG1      VAL  26   1.629 -12.232  -2.188
  155   1HG2  VAL  26          1HG2      VAL  26   5.073 -13.544  -1.404
  156   2HG2  VAL  26          2HG2      VAL  26   4.245 -12.058  -1.874
  157   3HG2  VAL  26          3HG2      VAL  26   4.193 -13.466  -2.930
  158    H    LYS  27           H        LYS  27   0.479 -13.971   0.631
  159    HA   LYS  27           HA       LYS  27  -1.261 -12.011  -0.170
  160   1HB   LYS  27          2HB       LYS  27  -1.493 -14.006   2.077
  161   2HB   LYS  27          1HB       LYS  27  -2.838 -13.001   1.534
  162   1HG   LYS  27          2HG       LYS  27  -2.729 -13.928  -0.697
  163   2HG   LYS  27          1HG       LYS  27  -1.228 -14.769  -0.327
  164   1HD   LYS  27          2HD       LYS  27  -2.798 -16.491  -0.112
  165   2HD   LYS  27          1HD       LYS  27  -2.650 -15.941   1.554
  166   1HE   LYS  27          2HE       LYS  27  -4.987 -16.085   1.161
  167   2HE   LYS  27          1HE       LYS  27  -4.608 -14.369   1.037
  168   1HZ   LYS  27          1HZ       LYS  27  -6.026 -15.416  -0.789
  169   2HZ   LYS  27          2HZ       LYS  27  -4.577 -16.108  -1.345
  170   3HZ   LYS  27          3HZ       LYS  27  -4.738 -14.419  -1.263
  171    H    ASP  28           H        ASP  28  -0.247 -12.492   3.234
  172    HA   ASP  28           HA       ASP  28  -1.435 -10.166   4.238
  173   1HB   ASP  28          2HB       ASP  28   0.189 -10.372   6.104
  174   2HB   ASP  28          1HB       ASP  28  -0.600 -11.901   5.720
  175    H    ALA  29           H        ALA  29   1.625 -10.684   2.626
  176    HA   ALA  29           HA       ALA  29   2.647  -8.046   3.178
  177   1HB   ALA  29          1HB       ALA  29   4.480  -8.661   1.743
  178   2HB   ALA  29          2HB       ALA  29   3.561 -10.001   1.059
  179   3HB   ALA  29          3HB       ALA  29   4.086 -10.060   2.742
  180    H    LEU  30           H        LEU  30   0.361  -9.311   0.976
  181    HA   LEU  30           HA       LEU  30   0.880  -7.514  -1.176
  182   1HB   LEU  30          2HB       LEU  30  -0.637  -9.840  -0.783
  183   2HB   LEU  30          1HB       LEU  30  -1.867  -8.602  -0.956
  184    HG   LEU  30           HG       LEU  30  -0.157  -7.963  -3.037
  185   1HD1  LEU  30          1HD1      LEU  30   1.204  -9.981  -2.618
  186   2HD1  LEU  30          2HD1      LEU  30   0.403 -10.058  -4.185
  187   3HD1  LEU  30          3HD1      LEU  30  -0.234 -10.979  -2.827
  188   1HD2  LEU  30          1HD2      LEU  30  -2.402  -9.982  -3.260
  189   2HD2  LEU  30          2HD2      LEU  30  -1.835  -8.875  -4.511
  190   3HD2  LEU  30          3HD2      LEU  30  -2.666  -8.245  -3.092
  191    H    THR  31           H        THR  31  -1.525  -7.738   1.402
  192    HA   THR  31           HA       THR  31  -2.780  -5.271   0.741
  193    HB   THR  31           HB       THR  31  -4.161  -5.641   2.582
  194    HG1  THR  31           1HG      THR  31  -1.851  -6.733   3.621
  195   1HG2  THR  31          1HG2      THR  31  -3.151  -8.382   1.792
  196   2HG2  THR  31          2HG2      THR  31  -4.236  -7.392   0.810
  197   3HG2  THR  31          3HG2      THR  31  -4.765  -7.978   2.387
  198    H    LYS  32           H        LYS  32  -0.088  -6.183   2.738
  199    HA   LYS  32           HA       LYS  32   0.052  -4.033   4.499
  200   1HB   LYS  32          2HB       LYS  32   1.645  -6.065   4.278
  201   2HB   LYS  32          1HB       LYS  32   2.496  -5.096   3.078
  202   1HG   LYS  32          2HG       LYS  32   2.482  -3.229   4.899
  203   2HG   LYS  32          1HG       LYS  32   2.108  -4.538   6.016
  204   1HD   LYS  32          2HD       LYS  32   4.438  -4.529   6.125
  205   2HD   LYS  32          1HD       LYS  32   4.172  -5.730   4.865
  206   1HE   LYS  32          2HE       LYS  32   4.578  -4.061   3.130
  207   2HE   LYS  32          1HE       LYS  32   4.696  -2.784   4.340
  208   1HZ   LYS  32          1HZ       LYS  32   6.663  -3.711   5.200
  209   2HZ   LYS  32          2HZ       LYS  32   6.855  -3.719   3.512
  210   3HZ   LYS  32          3HZ       LYS  32   6.470  -5.156   4.333
  211    H    MET  33           H        MET  33   1.811  -4.291   1.414
  212    HA   MET  33           HA       MET  33   2.516  -1.620   1.132
  213   1HB   MET  33          2HB       MET  33   1.753  -3.590  -1.039
  214   2HB   MET  33          1HB       MET  33   2.612  -2.072  -1.303
  215   1HG   MET  33          2HG       MET  33   4.518  -2.812  -0.103
  216   2HG   MET  33          1HG       MET  33   3.638  -4.154   0.630
  217   1HE   MET  33          1HE       MET  33   4.508  -6.260   0.099
  218   2HE   MET  33          2HE       MET  33   6.002  -5.372  -0.188
  219   3HE   MET  33          3HE       MET  33   5.510  -6.639  -1.309
  220    H    ARG  34           H        ARG  34  -0.288  -3.190  -0.479
  221    HA   ARG  34           HA       ARG  34  -1.574  -0.983  -1.463
  222   1HB   ARG  34          2HB       ARG  34  -2.351  -3.429  -1.557
  223   2HB   ARG  34          1HB       ARG  34  -3.087  -3.137   0.006
  224   1HG   ARG  34          2HG       ARG  34  -4.349  -1.231  -0.945
  225   2HG   ARG  34          1HG       ARG  34  -3.668  -1.597  -2.535
  226   1HD   ARG  34          2HD       ARG  34  -4.762  -3.728  -2.606
  227   2HD   ARG  34          1HD       ARG  34  -5.178  -3.656  -0.891
  228    HE   ARG  34           HE       ARG  34  -6.450  -1.482  -1.934
  229   1HH1  ARG  34          1HH2      ARG  34  -6.290  -4.840  -2.764
  230   2HH1  ARG  34          2HH2      ARG  34  -7.889  -4.892  -3.429
  231   1HH2  ARG  34          1HH1      ARG  34  -8.547  -1.545  -2.805
  232   2HH2  ARG  34          2HH1      ARG  34  -9.165  -3.028  -3.453
  233    H    ALA  35           H        ALA  35  -2.684  -2.416   1.596
  234    HA   ALA  35           HA       ALA  35  -4.156  -0.284   2.517
  235   1HB   ALA  35          1HB       ALA  35  -2.510  -2.127   4.260
  236   2HB   ALA  35          2HB       ALA  35  -4.063  -2.558   3.545
  237   3HB   ALA  35          3HB       ALA  35  -3.967  -1.250   4.724
  238    H    ALA  36           H        ALA  36  -0.682  -0.660   2.550
  239    HA   ALA  36           HA       ALA  36  -0.228   1.485   4.427
  240   1HB   ALA  36          1HB       ALA  36   2.149   1.220   3.796
  241   2HB   ALA  36          2HB       ALA  36   1.677   0.066   2.552
  242   3HB   ALA  36          3HB       ALA  36   1.411  -0.313   4.252
  243    H    ALA  37           H        ALA  37  -0.426   1.108   0.957
  244    HA   ALA  37           HA       ALA  37   0.672   3.667   0.307
  245   1HB   ALA  37          1HB       ALA  37  -0.238   3.241  -1.932
  246   2HB   ALA  37          2HB       ALA  37  -1.163   1.876  -1.307
  247   3HB   ALA  37          3HB       ALA  37   0.600   1.812  -1.325
  248    H    LEU  38           H        LEU  38  -2.602   2.341   0.664
  249    HA   LEU  38           HA       LEU  38  -3.962   4.766   0.015
  250   1HB   LEU  38          2HB       LEU  38  -4.722   2.206   1.383
  251   2HB   LEU  38          1HB       LEU  38  -5.791   3.588   1.587
  252    HG   LEU  38           HG       LEU  38  -5.944   3.832  -0.872
  253   1HD1  LEU  38          1HD1      LEU  38  -4.264   1.305  -0.899
  254   2HD1  LEU  38          2HD1      LEU  38  -3.763   2.892  -1.487
  255   3HD1  LEU  38          3HD1      LEU  38  -5.054   2.014  -2.307
  256   1HD2  LEU  38          1HD2      LEU  38  -7.288   1.801  -1.274
  257   2HD2  LEU  38          2HD2      LEU  38  -7.585   2.437   0.344
  258   3HD2  LEU  38          3HD2      LEU  38  -6.545   1.029   0.128
  259    H    ASP  39           H        ASP  39  -2.984   3.353   3.128
  260    HA   ASP  39           HA       ASP  39  -4.053   5.270   4.833
  261   1HB   ASP  39          2HB       ASP  39  -2.798   3.049   5.369
  262   2HB   ASP  39          1HB       ASP  39  -1.352   4.050   5.374
  263    H    ALA  40           H        ALA  40  -0.701   5.138   3.645
  264    HA   ALA  40           HA       ALA  40   0.251   7.520   4.611
  265   1HB   ALA  40          1HB       ALA  40   1.778   6.069   3.540
  266   2HB   ALA  40          2HB       ALA  40   1.721   7.502   2.515
  267   3HB   ALA  40          3HB       ALA  40   0.836   6.050   2.049
  268    H    GLN  41           H        GLN  41  -1.349   7.034   1.496
  269    HA   GLN  41           HA       GLN  41  -1.211   9.490   0.379
  270   1HB   GLN  41          2HB       GLN  41  -2.310   8.044  -1.031
  271   2HB   GLN  41          1HB       GLN  41  -3.181   7.273   0.288
  272   1HG   GLN  41          2HG       GLN  41  -4.092  10.065  -0.163
  273   2HG   GLN  41          1HG       GLN  41  -4.265   9.073  -1.549
  274   1HE2  GLN  41          1HE2      GLN  41  -4.620   8.025   1.852
  275   2HE2  GLN  41          2HE2      GLN  41  -6.234   7.551   1.673
  276    H    LYS  42           H        LYS  42  -3.880   8.547   2.595
  277    HA   LYS  42           HA       LYS  42  -3.958  11.358   3.476
  278   1HB   LYS  42          2HB       LYS  42  -5.629  10.568   1.476
  279   2HB   LYS  42          1HB       LYS  42  -6.639  10.198   2.857
  280   1HG   LYS  42          2HG       LYS  42  -7.208  12.428   2.480
  281   2HG   LYS  42          1HG       LYS  42  -5.904  12.608   3.650
  282   1HD   LYS  42          2HD       LYS  42  -5.218  14.123   2.008
  283   2HD   LYS  42          1HD       LYS  42  -4.365  12.670   1.493
  284   1HE   LYS  42          2HE       LYS  42  -5.517  13.794  -0.398
  285   2HE   LYS  42          1HE       LYS  42  -6.136  12.166  -0.126
  286   1HZ   LYS  42          1HZ       LYS  42  -7.452  14.331   1.312
  287   2HZ   LYS  42          2HZ       LYS  42  -8.114  12.938   0.601
  288   3HZ   LYS  42          3HZ       LYS  42  -7.706  14.276  -0.364
  289    H    ALA  43           H        ALA  43  -3.007   9.463   5.095
  290    HA   ALA  43           HA       ALA  43  -5.129   9.363   7.157
  291   1HB   ALA  43          1HB       ALA  43  -4.855   7.099   7.671
  292   2HB   ALA  43          2HB       ALA  43  -3.351   6.980   6.765
  293   3HB   ALA  43          3HB       ALA  43  -4.885   7.127   5.910
  294    H    THR  44           H        THR  44  -1.762   8.211   6.829
  295    HA   THR  44           HA       THR  44  -1.130   9.670   9.324
  296    HB   THR  44           HB       THR  44  -0.891   7.167   9.320
  297    HG1  THR  44           1HG      THR  44   0.694   7.423  10.693
  298   1HG2  THR  44          1HG2      THR  44   1.742   7.388   7.965
  299   2HG2  THR  44          2HG2      THR  44   0.342   7.412   6.900
  300   3HG2  THR  44          3HG2      THR  44   0.600   6.048   7.980
  301    HA   PRO  45           HA       PRO  45   0.690  12.422   6.008
  302   1HB   PRO  45          2HB       PRO  45   1.303  13.590   8.714
  303   2HB   PRO  45          1HB       PRO  45   0.977  14.434   7.184
  304   1HG   PRO  45          2HG       PRO  45  -0.951  14.132   8.971
  305   2HG   PRO  45          1HG       PRO  45  -1.288  13.942   7.240
  306   1HD   PRO  45          2HD       PRO  45  -1.189  11.869   9.357
  307   2HD   PRO  45          1HD       PRO  45  -2.012  11.818   7.784
  308    HA   PRO  46           HA       PRO  46   4.622  10.298   7.101
  309   1HB   PRO  46          2HB       PRO  46   5.304   9.418   4.665
  310   2HB   PRO  46          1HB       PRO  46   3.976   8.665   5.562
  311   1HG   PRO  46          2HG       PRO  46   3.851  10.651   3.334
  312   2HG   PRO  46          1HG       PRO  46   2.867   9.216   3.607
  313   1HD   PRO  46          2HD       PRO  46   2.092  11.799   4.292
  314   2HD   PRO  46          1HD       PRO  46   1.408  10.325   5.016
  315    H    LYS  47           H        LYS  47   5.657  11.008   3.927
  316    HA   LYS  47           HA       LYS  47   7.525  12.987   4.917
  317   1HB   LYS  47          2HB       LYS  47   7.960  12.997   2.220
  318   2HB   LYS  47          1HB       LYS  47   8.687  11.828   3.316
  319   1HG   LYS  47          2HG       LYS  47   5.956  11.237   2.194
  320   2HG   LYS  47          1HG       LYS  47   7.362  11.019   1.158
  321   1HD   LYS  47          2HD       LYS  47   7.435   9.858   3.936
  322   2HD   LYS  47          1HD       LYS  47   6.508   9.021   2.691
  323   1HE   LYS  47          2HE       LYS  47   8.417   8.636   1.363
  324   2HE   LYS  47          1HE       LYS  47   9.352   9.890   2.179
  325   1HZ   LYS  47          1HZ       LYS  47   8.792   7.151   3.003
  326   2HZ   LYS  47          2HZ       LYS  47   8.820   8.325   4.232
  327   3HZ   LYS  47          3HZ       LYS  47  10.182   8.094   3.242
  328    H    LEU  48           H        LEU  48   4.371  13.060   3.628
  329    HA   LEU  48           HA       LEU  48   4.626  15.623   2.311
  330   1HB   LEU  48          2HB       LEU  48   2.003  14.502   3.268
  331   2HB   LEU  48          1HB       LEU  48   2.335  15.496   1.845
  332    HG   LEU  48           HG       LEU  48   3.246  12.622   2.235
  333   1HD1  LEU  48          1HD1      LEU  48   1.591  12.119   0.474
  334   2HD1  LEU  48          2HD1      LEU  48   1.092  13.811   0.463
  335   3HD1  LEU  48          3HD1      LEU  48   0.813  12.818   1.893
  336   1HD2  LEU  48          1HD2      LEU  48   3.731  12.876  -0.262
  337   2HD2  LEU  48          2HD2      LEU  48   4.824  13.738   0.820
  338   3HD2  LEU  48          3HD2      LEU  48   3.547  14.614  -0.025
  339    H    GLU  49           H        GLU  49   5.686  15.685   4.934
  340    HA   GLU  49           HA       GLU  49   3.934  16.747   6.866
  341   1HB   GLU  49          2HB       GLU  49   6.889  17.168   6.381
  342   2HB   GLU  49          1HB       GLU  49   6.037  17.847   7.769
  343   1HG   GLU  49          2HG       GLU  49   5.297  15.559   8.401
  344   2HG   GLU  49          1HG       GLU  49   6.233  14.907   7.057
  345    H    ASP  50           H        ASP  50   5.423  18.095   4.041
  346    HA   ASP  50           HA       ASP  50   3.772  20.463   4.200
  347   1HB   ASP  50          2HB       ASP  50   5.717  21.122   5.578
  348   2HB   ASP  50          1HB       ASP  50   6.788  20.737   4.232
  349    H    LYS  51           H        LYS  51   3.436  18.639   2.358
  350    HA   LYS  51           HA       LYS  51   4.673  19.773  -0.085
  351   1HB   LYS  51          2HB       LYS  51   4.143  16.835   0.402
  352   2HB   LYS  51          1HB       LYS  51   4.821  17.550  -1.053
  353   1HG   LYS  51          2HG       LYS  51   6.722  18.433   0.349
  354   2HG   LYS  51          1HG       LYS  51   6.065  17.529   1.710
  355   1HD   LYS  51          2HD       LYS  51   7.547  15.935   0.923
  356   2HD   LYS  51          1HD       LYS  51   6.151  15.505  -0.059
  357   1HE   LYS  51          2HE       LYS  51   8.672  16.935  -0.857
  358   2HE   LYS  51          1HE       LYS  51   7.803  15.648  -1.692
  359   1HZ   LYS  51          1HZ       LYS  51   7.582  17.788  -2.810
  360   2HZ   LYS  51          2HZ       LYS  51   6.860  18.451  -1.423
  361   3HZ   LYS  51          3HZ       LYS  51   6.082  17.208  -2.279
  362    H    SER  52           H        SER  52   2.058  20.078   1.364
  363    HA   SER  52           HA       SER  52  -0.150  18.905   0.489
  364   1HB   SER  52          2HB       SER  52  -0.798  20.802   1.578
  365   2HB   SER  52          1HB       SER  52   0.568  21.721   0.973
  366    HG   SER  52           HG       SER  52  -0.706  22.519  -0.474
  367    HA   PRO  53           HA       PRO  53  -0.813  18.537  -3.881
  368   1HB   PRO  53          2HB       PRO  53  -3.060  20.506  -3.554
  369   2HB   PRO  53          1HB       PRO  53  -3.040  18.958  -4.425
  370   1HG   PRO  53          2HG       PRO  53  -4.136  19.173  -2.004
  371   2HG   PRO  53          1HG       PRO  53  -3.253  17.717  -2.497
  372   1HD   PRO  53          2HD       PRO  53  -2.451  19.815  -0.550
  373   2HD   PRO  53          1HD       PRO  53  -1.920  18.125  -0.678
  374    H    ASP  54           H        ASP  54   1.098  20.548  -3.167
  375    HA   ASP  54           HA       ASP  54   0.602  22.759  -5.075
  376   1HB   ASP  54          2HB       ASP  54   1.247  23.355  -2.764
  377   2HB   ASP  54          1HB       ASP  54   2.745  22.449  -2.963
  378    H    SER  55           H        SER  55   3.420  20.901  -3.959
  379    HA   SER  55           HA       SER  55   4.811  21.171  -6.460
  380   1HB   SER  55          2HB       SER  55   5.717  19.078  -4.545
  381   2HB   SER  55          1HB       SER  55   6.616  20.430  -5.245
  382    HG   SER  55           HG       SER  55   5.497  20.233  -2.842
  383    HA   PRO  56           HA       PRO  56   3.792  17.401  -8.565
  384   1HB   PRO  56          2HB       PRO  56   6.307  15.967  -7.807
  385   2HB   PRO  56          1HB       PRO  56   5.658  16.330  -9.420
  386   1HG   PRO  56          2HG       PRO  56   7.741  17.669  -8.463
  387   2HG   PRO  56          1HG       PRO  56   6.484  18.496  -9.405
  388   1HD   PRO  56          2HD       PRO  56   6.901  18.476  -6.430
  389   2HD   PRO  56          1HD       PRO  56   6.447  19.834  -7.489
  390    H    GLU  57           H        GLU  57   3.498  17.574  -5.465
  391    HA   GLU  57           HA       GLU  57   3.704  15.106  -4.249
  392   1HB   GLU  57          2HB       GLU  57   3.013  16.966  -2.926
  393   2HB   GLU  57          1HB       GLU  57   1.626  17.287  -3.962
  394   1HG   GLU  57          2HG       GLU  57   0.474  15.346  -3.207
  395   2HG   GLU  57          1HG       GLU  57   1.930  14.667  -2.481
  396    H    MET  58           H        MET  58   0.695  16.374  -5.664
  397    HA   MET  58           HA       MET  58  -0.809  14.076  -5.725
  398   1HB   MET  58          2HB       MET  58  -0.728  16.087  -7.984
  399   2HB   MET  58          1HB       MET  58  -2.085  15.070  -7.493
  400   1HG   MET  58          2HG       MET  58  -2.176  16.235  -5.316
  401   2HG   MET  58          1HG       MET  58  -0.826  17.265  -5.803
  402   1HE   MET  58          1HE       MET  58  -5.182  17.361  -7.142
  403   2HE   MET  58          2HE       MET  58  -4.534  16.894  -5.572
  404   3HE   MET  58          3HE       MET  58  -4.233  15.877  -6.980
  405    H    LYS  59           H        LYS  59   1.280  15.261  -8.357
  406    HA   LYS  59           HA       LYS  59   1.082  13.172 -10.138
  407   1HB   LYS  59          2HB       LYS  59   3.473  14.846  -9.360
  408   2HB   LYS  59          1HB       LYS  59   3.533  13.679 -10.674
  409   1HG   LYS  59          2HG       LYS  59   1.275  15.668 -10.650
  410   2HG   LYS  59          1HG       LYS  59   2.875  16.236 -11.119
  411   1HD   LYS  59          2HD       LYS  59   1.745  13.724 -12.353
  412   2HD   LYS  59          1HD       LYS  59   1.263  15.303 -12.967
  413   1HE   LYS  59          2HE       LYS  59   3.362  15.758 -13.833
  414   2HE   LYS  59          1HE       LYS  59   4.199  14.828 -12.591
  415   1HZ   LYS  59          1HZ       LYS  59   2.875  12.887 -13.794
  416   2HZ   LYS  59          2HZ       LYS  59   4.423  13.387 -14.288
  417   3HZ   LYS  59          3HZ       LYS  59   3.045  13.943 -15.111
  418    H    ASP  60           H        ASP  60   2.960  13.345  -7.162
  419    HA   ASP  60           HA       ASP  60   4.195  10.760  -7.550
  420   1HB   ASP  60          2HB       ASP  60   5.273  12.650  -6.329
  421   2HB   ASP  60          1HB       ASP  60   4.089  12.437  -5.040
  422    H    PHE  61           H        PHE  61   1.554  12.068  -5.535
  423    HA   PHE  61           HA       PHE  61   1.053   9.577  -4.225
  424   1HB   PHE  61          2HB       PHE  61   0.036  11.247  -2.968
  425   2HB   PHE  61          1HB       PHE  61  -0.355  12.220  -4.383
  426    HD1  PHE  61           1HD      PHE  61  -2.687  12.607  -4.186
  427    HD2  PHE  61           2HD      PHE  61  -1.176   8.625  -3.717
  428    HE1  PHE  61           1HE      PHE  61  -4.998  11.735  -4.242
  429    HE2  PHE  61           2HE      PHE  61  -3.490   7.742  -3.775
  430    HZ   PHE  61           HZ       PHE  61  -5.403   9.302  -4.033
  431    H    ARG  62           H        ARG  62  -0.970  11.343  -6.555
  432    HA   ARG  62           HA       ARG  62  -2.720   9.439  -7.328
  433   1HB   ARG  62          2HB       ARG  62  -1.279  11.128  -9.386
  434   2HB   ARG  62          1HB       ARG  62  -2.921  10.502  -9.474
  435   1HG   ARG  62          2HG       ARG  62  -2.133  12.378  -7.242
  436   2HG   ARG  62          1HG       ARG  62  -2.573  13.004  -8.821
  437   1HD   ARG  62          2HD       ARG  62  -4.322  11.098  -7.259
  438   2HD   ARG  62          1HD       ARG  62  -4.452  12.848  -7.142
  439    HE   ARG  62           HE       ARG  62  -4.587  12.335  -9.837
  440   1HH1  ARG  62          1HH2      ARG  62  -6.256  11.272  -6.997
  441   2HH1  ARG  62          2HH2      ARG  62  -7.759  10.998  -7.815
  442   1HH2  ARG  62          1HH1      ARG  62  -6.555  11.977 -10.915
  443   2HH2  ARG  62          2HH1      ARG  62  -7.928  11.397 -10.033
  444    H    HIS  63           H        HIS  63   0.596   9.732  -8.611
  445    HA   HIS  63           HA       HIS  63   0.282   7.275 -10.107
  446   1HB   HIS  63          2HB       HIS  63   1.771   9.237 -10.757
  447   2HB   HIS  63          1HB       HIS  63   2.882   8.692  -9.505
  448    HD1  HIS  63           1HD      HIS  63   4.739   7.613 -10.808
  449    HD2  HIS  63           2HD      HIS  63   0.989   6.378 -12.146
  450    HE1  HIS  63           1HE      HIS  63   5.152   5.787 -12.512
  451    HE2  HIS  63           2HE      HIS  63   2.875   5.023 -13.336
  452    H    GLY  64           H        GLY  64   2.596   8.226  -7.564
  453   1HA   GLY  64          2HA       GLY  64   3.726   5.898  -6.878
  454   2HA   GLY  64          1HA       GLY  64   3.228   7.046  -5.652
  455    H    PHE  65           H        PHE  65   0.347   6.733  -6.091
  456    HA   PHE  65           HA       PHE  65   0.030   4.311  -4.529
  457   1HB   PHE  65          2HB       PHE  65  -1.710   5.496  -3.686
  458   2HB   PHE  65          1HB       PHE  65  -1.554   6.713  -4.936
  459    HD1  PHE  65           1HD      PHE  65  -2.600   6.100  -7.275
  460    HD2  PHE  65           2HD      PHE  65  -3.614   4.121  -3.614
  461    HE1  PHE  65           1HE      PHE  65  -4.675   5.316  -8.304
  462    HE2  PHE  65           2HE      PHE  65  -5.724   3.329  -4.651
  463    HZ   PHE  65           HZ       PHE  65  -6.239   3.936  -7.001
  464    H    ASP  66           H        ASP  66  -0.651   5.389  -7.806
  465    HA   ASP  66           HA       ASP  66  -2.068   3.053  -8.639
  466   1HB   ASP  66          2HB       ASP  66  -2.227   5.140  -9.898
  467   2HB   ASP  66          1HB       ASP  66  -0.491   5.125 -10.213
  468    H    ILE  67           H        ILE  67   1.299   4.047  -8.578
  469    HA   ILE  67           HA       ILE  67   2.457   2.013 -10.113
  470    HB   ILE  67           HB       ILE  67   3.536   3.543  -7.725
  471   1HG1  ILE  67          2HG1      ILE  67   3.942   3.948 -10.704
  472   2HG1  ILE  67          1HG1      ILE  67   2.797   4.858  -9.725
  473   1HG2  ILE  67          1HG2      ILE  67   5.769   2.916  -8.747
  474   2HG2  ILE  67          2HG2      ILE  67   4.904   1.776  -9.779
  475   3HG2  ILE  67          3HG2      ILE  67   4.894   1.564  -8.029
  476   1HD1  ILE  67          1HD1      ILE  67   5.379   4.930  -8.425
  477   2HD1  ILE  67          2HD1      ILE  67   4.434   6.266  -9.078
  478   3HD1  ILE  67          3HD1      ILE  67   5.563   5.401 -10.114
  479    H    LEU  68           H        LEU  68   2.325   2.287  -6.579
  480    HA   LEU  68           HA       LEU  68   3.138  -0.334  -6.014
  481   1HB   LEU  68          2HB       LEU  68   1.719   1.833  -4.537
  482   2HB   LEU  68          1HB       LEU  68   1.579   0.210  -3.866
  483    HG   LEU  68           HG       LEU  68   4.169   0.092  -4.084
  484   1HD1  LEU  68          1HD1      LEU  68   5.272   2.317  -4.009
  485   2HD1  LEU  68          2HD1      LEU  68   3.724   3.076  -4.341
  486   3HD1  LEU  68          3HD1      LEU  68   4.466   2.026  -5.546
  487   1HD2  LEU  68          1HD2      LEU  68   2.793   1.958  -2.135
  488   2HD2  LEU  68          2HD2      LEU  68   4.477   1.465  -1.986
  489   3HD2  LEU  68          3HD2      LEU  68   3.200   0.256  -1.902
  490    H    VAL  69           H        VAL  69  -0.181   0.975  -5.962
  491    HA   VAL  69           HA       VAL  69  -1.570  -1.382  -5.624
  492    HB   VAL  69           HB       VAL  69  -2.290   1.121  -7.155
  493   1HG1  VAL  69          1HG1      VAL  69  -3.792  -0.574  -7.857
  494   2HG1  VAL  69          2HG1      VAL  69  -4.630   0.381  -6.639
  495   3HG1  VAL  69          3HG1      VAL  69  -3.960  -1.196  -6.213
  496   1HG2  VAL  69          1HG2      VAL  69  -3.180   0.304  -4.383
  497   2HG2  VAL  69          2HG2      VAL  69  -3.195   1.909  -5.111
  498   3HG2  VAL  69          3HG2      VAL  69  -1.667   1.175  -4.629
  499    H    GLY  70           H        GLY  70   0.077  -0.199  -8.442
  500   1HA   GLY  70          2HA       GLY  70  -1.326  -1.946 -10.294
  501   2HA   GLY  70          1HA       GLY  70   0.052  -0.914 -10.666
  502    H    GLN  71           H        GLN  71   1.778  -1.847  -8.605
  503    HA   GLN  71           HA       GLN  71   2.753  -4.259  -9.872
  504   1HB   GLN  71          2HB       GLN  71   3.795  -2.722  -7.478
  505   2HB   GLN  71          1HB       GLN  71   4.640  -4.020  -8.321
  506   1HG   GLN  71          2HG       GLN  71   4.832  -2.743 -10.314
  507   2HG   GLN  71          1HG       GLN  71   3.667  -1.554  -9.747
  508   1HE2  GLN  71          1HE2      GLN  71   4.769  -1.261  -7.057
  509   2HE2  GLN  71          2HE2      GLN  71   6.271  -0.496  -7.221
  510    H    ILE  72           H        ILE  72   1.388  -3.290  -6.779
  511    HA   ILE  72           HA       ILE  72   1.632  -5.544  -5.227
  512    HB   ILE  72           HB       ILE  72  -0.445  -3.425  -5.562
  513   1HG1  ILE  72          2HG1      ILE  72   0.671  -4.404  -2.941
  514   2HG1  ILE  72          1HG1      ILE  72   1.718  -3.506  -4.034
  515   1HG2  ILE  72          1HG2      ILE  72  -1.825  -4.470  -3.705
  516   2HG2  ILE  72          2HG2      ILE  72  -0.958  -5.978  -4.013
  517   3HG2  ILE  72          3HG2      ILE  72  -1.963  -5.264  -5.275
  518   1HD1  ILE  72          1HD1      ILE  72  -0.986  -2.527  -3.109
  519   2HD1  ILE  72          2HD1      ILE  72   0.180  -1.633  -4.056
  520   3HD1  ILE  72          3HD1      ILE  72   0.543  -2.041  -2.390
  521    H    ASP  73           H        ASP  73  -1.033  -4.933  -7.528
  522    HA   ASP  73           HA       ASP  73  -2.156  -7.510  -7.427
  523   1HB   ASP  73          2HB       ASP  73  -3.269  -5.571  -8.495
  524   2HB   ASP  73          1HB       ASP  73  -2.061  -5.596  -9.778
  525    H    ASP  74           H        ASP  74   0.106  -6.115  -9.809
  526    HA   ASP  74           HA       ASP  74   0.666  -8.233 -11.406
  527   1HB   ASP  74          2HB       ASP  74   1.708  -5.877 -11.395
  528   2HB   ASP  74          1HB       ASP  74   2.901  -6.554 -10.286
  529    H    ALA  75           H        ALA  75   1.585  -7.810  -8.061
  530    HA   ALA  75           HA       ALA  75   3.584  -9.828  -7.981
  531   1HB   ALA  75          1HB       ALA  75   3.609  -9.514  -5.656
  532   2HB   ALA  75          2HB       ALA  75   1.912  -9.050  -5.605
  533   3HB   ALA  75          3HB       ALA  75   3.106  -7.941  -6.271
  534    H    LEU  76           H        LEU  76   0.331  -9.923  -6.450
  535    HA   LEU  76           HA       LEU  76   0.248 -12.702  -6.100
  536   1HB   LEU  76          2HB       LEU  76  -1.438 -11.058  -5.185
  537   2HB   LEU  76          1HB       LEU  76  -2.123 -10.963  -6.804
  538    HG   LEU  76           HG       LEU  76  -2.242 -13.610  -6.611
  539   1HD1  LEU  76          1HD1      LEU  76  -2.700 -14.297  -4.248
  540   2HD1  LEU  76          2HD1      LEU  76  -2.132 -12.718  -3.708
  541   3HD1  LEU  76          3HD1      LEU  76  -1.021 -13.828  -4.510
  542   1HD2  LEU  76          1HD2      LEU  76  -4.493 -13.398  -5.588
  543   2HD2  LEU  76          2HD2      LEU  76  -4.204 -12.132  -6.781
  544   3HD2  LEU  76          3HD2      LEU  76  -4.094 -11.762  -5.061
  545    H    LYS  77           H        LYS  77  -0.738 -10.676  -8.795
  546    HA   LYS  77           HA       LYS  77  -1.940 -12.360 -10.559
  547   1HB   LYS  77          2HB       LYS  77  -1.259  -9.903 -10.804
  548   2HB   LYS  77          1HB       LYS  77   0.307 -10.491 -11.335
  549   1HG   LYS  77          2HG       LYS  77  -2.250 -11.429 -12.645
  550   2HG   LYS  77          1HG       LYS  77  -1.487  -9.922 -13.126
  551   1HD   LYS  77          2HD       LYS  77  -0.040 -11.064 -14.455
  552   2HD   LYS  77          1HD       LYS  77   0.601 -11.902 -13.045
  553   1HE   LYS  77          2HE       LYS  77  -0.173 -13.607 -14.528
  554   2HE   LYS  77          1HE       LYS  77  -1.405 -13.493 -13.273
  555   1HZ   LYS  77          1HZ       LYS  77  -1.576 -12.885 -16.078
  556   2HZ   LYS  77          2HZ       LYS  77  -2.210 -11.660 -15.085
  557   3HZ   LYS  77          3HZ       LYS  77  -2.809 -13.247 -14.970
  558    H    LEU  78           H        LEU  78   1.563 -11.969 -10.145
  559    HA   LEU  78           HA       LEU  78   2.339 -14.009 -11.932
  560   1HB   LEU  78          2HB       LEU  78   3.735 -12.140 -10.649
  561   2HB   LEU  78          1HB       LEU  78   3.999 -13.442  -9.492
  562    HG   LEU  78           HG       LEU  78   4.598 -13.563 -12.467
  563   1HD1  LEU  78          1HD1      LEU  78   6.110 -12.168 -10.899
  564   2HD1  LEU  78          2HD1      LEU  78   6.888 -13.394 -11.899
  565   3HD1  LEU  78          3HD1      LEU  78   6.580 -13.714 -10.194
  566   1HD2  LEU  78          1HD2      LEU  78   4.013 -15.764 -11.793
  567   2HD2  LEU  78          2HD2      LEU  78   4.800 -15.583 -10.226
  568   3HD2  LEU  78          3HD2      LEU  78   5.773 -15.727 -11.690
  569    H    ALA  79           H        ALA  79   2.192 -14.130  -8.344
  570    HA   ALA  79           HA       ALA  79   2.636 -16.898  -8.055
  571   1HB   ALA  79          1HB       ALA  79   0.827 -15.195  -6.316
  572   2HB   ALA  79          2HB       ALA  79   2.583 -15.193  -6.192
  573   3HB   ALA  79          3HB       ALA  79   1.679 -16.666  -5.856
  574    H    ASN  80           H        ASN  80  -0.093 -15.159  -9.245
  575    HA   ASN  80           HA       ASN  80  -2.052 -17.176  -8.676
  576   1HB   ASN  80          2HB       ASN  80  -2.416 -14.638  -9.200
  577   2HB   ASN  80          1HB       ASN  80  -2.348 -15.147 -10.884
  578   1HD2  ASN  80          1HD2      ASN  80  -4.733 -14.121  -9.434
  579   2HD2  ASN  80          2HD2      ASN  80  -5.891 -15.360  -9.508
  580    H    GLU  81           H        GLU  81   0.295 -16.534 -11.141
  581    HA   GLU  81           HA       GLU  81  -0.829 -18.217 -13.164
  582   1HB   GLU  81          2HB       GLU  81   1.991 -17.192 -12.793
  583   2HB   GLU  81          1HB       GLU  81   1.419 -18.061 -14.214
  584   1HG   GLU  81          2HG       GLU  81  -0.241 -16.328 -14.650
  585   2HG   GLU  81          1HG       GLU  81   0.239 -15.478 -13.182
  586    H    GLY  82           H        GLY  82   1.958 -18.605 -10.931
  587   1HA   GLY  82          2HA       GLY  82   1.405 -21.480 -10.850
  588   2HA   GLY  82          1HA       GLY  82   2.966 -20.979 -11.477
  589    H    LYS  83           H        LYS  83   4.468 -19.936 -10.042
  590    HA   LYS  83           HA       LYS  83   4.046 -20.784  -7.255
  591   1HB   LYS  83          2HB       LYS  83   5.852 -21.858  -8.510
  592   2HB   LYS  83          1HB       LYS  83   6.586 -20.293  -8.792
  593   1HG   LYS  83          2HG       LYS  83   7.727 -21.418  -6.946
  594   2HG   LYS  83          1HG       LYS  83   6.906 -19.988  -6.363
  595   1HD   LYS  83          2HD       LYS  83   6.681 -22.030  -4.889
  596   2HD   LYS  83          1HD       LYS  83   5.153 -21.305  -5.351
  597   1HE   LYS  83          2HE       LYS  83   4.665 -23.037  -6.881
  598   2HE   LYS  83          1HE       LYS  83   6.353 -23.539  -6.985
  599   1HZ   LYS  83          1HZ       LYS  83   6.057 -24.012  -4.481
  600   2HZ   LYS  83          2HZ       LYS  83   5.454 -25.126  -5.615
  601   3HZ   LYS  83          3HZ       LYS  83   4.400 -24.038  -4.844
  602    H    VAL  84           H        VAL  84   4.401 -19.622  -5.523
  603    HA   VAL  84           HA       VAL  84   4.203 -16.783  -5.611
  604    HB   VAL  84           HB       VAL  84   4.789 -18.730  -3.377
  605   1HG1  VAL  84          1HG1      VAL  84   4.426 -15.737  -3.369
  606   2HG1  VAL  84          2HG1      VAL  84   5.688 -16.692  -2.592
  607   3HG1  VAL  84          3HG1      VAL  84   4.048 -16.707  -1.946
  608   1HG2  VAL  84          1HG2      VAL  84   2.505 -18.720  -2.929
  609   2HG2  VAL  84          2HG2      VAL  84   2.471 -18.549  -4.681
  610   3HG2  VAL  84          3HG2      VAL  84   2.256 -17.132  -3.651
  611    H    LYS  85           H        LYS  85   6.819 -19.053  -4.814
  612    HA   LYS  85           HA       LYS  85   8.798 -17.376  -3.931
  613   1HB   LYS  85          2HB       LYS  85   9.167 -19.676  -5.867
  614   2HB   LYS  85          1HB       LYS  85  10.417 -18.974  -4.843
  615   1HG   LYS  85          2HG       LYS  85   7.878 -19.984  -3.572
  616   2HG   LYS  85          1HG       LYS  85   9.110 -21.144  -4.054
  617   1HD   LYS  85          2HD       LYS  85  10.014 -18.750  -2.478
  618   2HD   LYS  85          1HD       LYS  85   9.124 -20.002  -1.618
  619   1HE   LYS  85          2HE       LYS  85  11.679 -20.248  -1.678
  620   2HE   LYS  85          1HE       LYS  85  10.738 -21.666  -2.138
  621   1HZ   LYS  85          1HZ       LYS  85  11.004 -20.991  -4.471
  622   2HZ   LYS  85          2HZ       LYS  85  12.491 -21.320  -3.717
  623   3HZ   LYS  85          3HZ       LYS  85  12.005 -19.714  -3.980
  624    H    GLU  86           H        GLU  86   7.669 -17.834  -7.224
  625    HA   GLU  86           HA       GLU  86   9.758 -16.249  -8.430
  626   1HB   GLU  86          2HB       GLU  86   7.043 -17.069  -9.510
  627   2HB   GLU  86          1HB       GLU  86   8.351 -16.356 -10.456
  628   1HG   GLU  86          2HG       GLU  86   9.802 -18.263  -9.905
  629   2HG   GLU  86          1HG       GLU  86   8.509 -18.969  -8.940
  630    H    ALA  87           H        ALA  87   6.635 -15.791  -7.057
  631    HA   ALA  87           HA       ALA  87   6.324 -13.055  -7.967
  632   1HB   ALA  87          1HB       ALA  87   4.760 -14.439  -5.794
  633   2HB   ALA  87          2HB       ALA  87   4.412 -14.657  -7.511
  634   3HB   ALA  87          3HB       ALA  87   4.265 -13.060  -6.776
  635    H    GLN  88           H        GLN  88   6.902 -14.688  -4.840
  636    HA   GLN  88           HA       GLN  88   7.170 -12.463  -3.214
  637   1HB   GLN  88          2HB       GLN  88   7.965 -13.931  -1.633
  638   2HB   GLN  88          1HB       GLN  88   7.416 -15.121  -2.804
  639   1HG   GLN  88          2HG       GLN  88   9.582 -15.866  -2.331
  640   2HG   GLN  88          1HG       GLN  88   9.842 -14.908  -3.778
  641   1HE2  GLN  88          1HE2      GLN  88   9.285 -12.445  -2.029
  642   2HE2  GLN  88          2HE2      GLN  88  10.751 -12.168  -1.232
  643    H    ALA  89           H        ALA  89   9.380 -13.812  -5.559
  644    HA   ALA  89           HA       ALA  89  11.556 -12.036  -4.899
  645   1HB   ALA  89          1HB       ALA  89  12.551 -12.865  -7.000
  646   2HB   ALA  89          2HB       ALA  89  11.036 -13.676  -7.399
  647   3HB   ALA  89          3HB       ALA  89  11.979 -14.207  -6.006
  648    H    ALA  90           H        ALA  90   8.939 -12.252  -7.278
  649    HA   ALA  90           HA       ALA  90   9.591  -9.935  -8.763
  650   1HB   ALA  90          1HB       ALA  90   7.420 -10.072  -9.665
  651   2HB   ALA  90          2HB       ALA  90   6.750 -10.770  -8.191
  652   3HB   ALA  90          3HB       ALA  90   7.787 -11.742  -9.236
  653    H    ALA  91           H        ALA  91   8.476 -10.386  -5.573
  654    HA   ALA  91           HA       ALA  91   7.233  -7.798  -5.269
  655   1HB   ALA  91          1HB       ALA  91   6.763  -8.444  -3.067
  656   2HB   ALA  91          2HB       ALA  91   8.134  -9.551  -2.998
  657   3HB   ALA  91          3HB       ALA  91   6.714  -9.965  -3.957
  658    H    GLU  92           H        GLU  92  10.331  -9.299  -4.453
  659    HA   GLU  92           HA       GLU  92  11.395  -7.262  -2.881
  660   1HB   GLU  92          2HB       GLU  92  13.362  -8.441  -2.967
  661   2HB   GLU  92          1HB       GLU  92  12.302  -9.678  -3.631
  662   1HG   GLU  92          2HG       GLU  92  12.888  -8.773  -5.940
  663   2HG   GLU  92          1HG       GLU  92  14.121  -7.795  -5.153
  664    H    GLN  93           H        GLN  93  11.318  -7.600  -6.404
  665    HA   GLN  93           HA       GLN  93  12.979  -5.358  -6.935
  666   1HB   GLN  93          2HB       GLN  93  11.932  -5.477  -9.234
  667   2HB   GLN  93          1HB       GLN  93  12.715  -6.955  -8.675
  668   1HG   GLN  93          2HG       GLN  93  10.580  -7.906  -8.032
  669   2HG   GLN  93          1HG       GLN  93   9.754  -6.397  -8.418
  670   1HE2  GLN  93          1HE2      GLN  93   8.466  -7.149 -10.180
  671   2HE2  GLN  93          2HE2      GLN  93   9.135  -7.752 -11.619
  672    H    LEU  94           H        LEU  94   9.803  -5.481  -5.713
  673    HA   LEU  94           HA       LEU  94   8.965  -2.960  -6.939
  674   1HB   LEU  94          2HB       LEU  94   7.661  -4.455  -4.651
  675   2HB   LEU  94          1HB       LEU  94   6.944  -3.193  -5.651
  676    HG   LEU  94           HG       LEU  94   7.780  -5.962  -6.550
  677   1HD1  LEU  94          1HD1      LEU  94   5.680  -6.102  -5.449
  678   2HD1  LEU  94          2HD1      LEU  94   5.280  -6.003  -7.161
  679   3HD1  LEU  94          3HD1      LEU  94   5.126  -4.579  -6.134
  680   1HD2  LEU  94          1HD2      LEU  94   6.910  -3.519  -8.092
  681   2HD2  LEU  94          2HD2      LEU  94   6.625  -5.141  -8.726
  682   3HD2  LEU  94          3HD2      LEU  94   8.268  -4.595  -8.413
  683    H    LYS  95           H        LYS  95   9.760  -4.188  -3.713
  684    HA   LYS  95           HA       LYS  95   9.603  -1.845  -2.258
  685   1HB   LYS  95          2HB       LYS  95  11.911  -3.736  -1.861
  686   2HB   LYS  95          1HB       LYS  95  10.978  -2.857  -0.650
  687   1HG   LYS  95          2HG       LYS  95   8.980  -4.357  -1.780
  688   2HG   LYS  95          1HG       LYS  95  10.348  -5.430  -2.027
  689   1HD   LYS  95          2HD       LYS  95   9.624  -4.218   0.646
  690   2HD   LYS  95          1HD       LYS  95   9.124  -5.813   0.099
  691   1HE   LYS  95          2HE       LYS  95  12.047  -5.173  -0.043
  692   2HE   LYS  95          1HE       LYS  95  11.351  -5.489   1.541
  693   1HZ   LYS  95          1HZ       LYS  95  10.278  -7.476   0.178
  694   2HZ   LYS  95          2HZ       LYS  95  11.789  -7.602   0.945
  695   3HZ   LYS  95          3HZ       LYS  95  11.702  -7.284  -0.722
  696    H    THR  96           H        THR  96  12.109  -2.941  -4.464
  697    HA   THR  96           HA       THR  96  13.926  -0.790  -3.899
  698    HB   THR  96           HB       THR  96  13.777  -2.319  -6.483
  699    HG1  THR  96           1HG      THR  96  15.123  -3.150  -4.141
  700   1HG2  THR  96          1HG2      THR  96  16.203  -1.991  -6.458
  701   2HG2  THR  96          2HG2      THR  96  16.097  -1.220  -4.875
  702   3HG2  THR  96          3HG2      THR  96  15.383  -0.439  -6.286
  703    H    THR  97           H        THR  97  11.304  -1.370  -6.176
  704    HA   THR  97           HA       THR  97  11.731   0.870  -7.850
  705    HB   THR  97           HB       THR  97   9.087  -0.457  -7.212
  706    HG1  THR  97           1HG      THR  97   9.788  -1.562  -9.276
  707   1HG2  THR  97          1HG2      THR  97   8.570   0.263  -9.545
  708   2HG2  THR  97          2HG2      THR  97  10.117   1.106  -9.596
  709   3HG2  THR  97          3HG2      THR  97   8.868   1.623  -8.462
  710    H    ILE  98           H        ILE  98   9.442   0.418  -5.125
  711    HA   ILE  98           HA       ILE  98   8.519   3.076  -5.155
  712    HB   ILE  98           HB       ILE  98   7.417   2.618  -3.152
  713   1HG1  ILE  98          2HG1      ILE  98   9.660   0.694  -2.470
  714   2HG1  ILE  98          1HG1      ILE  98   9.359   2.253  -1.699
  715   1HG2  ILE  98          1HG2      ILE  98   7.018   0.888  -5.007
  716   2HG2  ILE  98          2HG2      ILE  98   6.502   0.439  -3.381
  717   3HG2  ILE  98          3HG2      ILE  98   8.002  -0.207  -4.037
  718   1HD1  ILE  98          1HD1      ILE  98   7.046   1.330  -1.097
  719   2HD1  ILE  98          2HD1      ILE  98   8.414   0.624  -0.237
  720   3HD1  ILE  98          3HD1      ILE  98   7.666  -0.253  -1.571
  721    H    ARG  99           H        ARG  99  11.462   1.627  -3.976
  722    HA   ARG  99           HA       ARG  99  12.101   3.705  -2.171
  723   1HB   ARG  99          2HB       ARG  99  13.216   1.459  -2.171
  724   2HB   ARG  99          1HB       ARG  99  14.056   1.933  -3.646
  725   1HG   ARG  99          2HG       ARG  99  15.471   2.313  -1.660
  726   2HG   ARG  99          1HG       ARG  99  15.094   3.829  -2.472
  727   1HD   ARG  99          2HD       ARG  99  13.924   4.623  -0.671
  728   2HD   ARG  99          1HD       ARG  99  13.144   3.084  -0.362
  729    HE   ARG  99           HE       ARG  99  14.778   2.644   1.205
  730   1HH1  ARG  99          1HH2      ARG  99  15.861   5.060  -1.019
  731   2HH1  ARG  99          2HH2      ARG  99  17.332   5.384  -0.166
  732   1HH2  ARG  99          1HH1      ARG  99  16.709   3.057   2.325
  733   2HH2  ARG  99          2HH1      ARG  99  17.814   4.249   1.725
  734    H    ALA 100           H        ALA 100  12.299   3.396  -5.598
  735    HA   ALA 100           HA       ALA 100  14.120   5.572  -6.001
  736   1HB   ALA 100          1HB       ALA 100  13.584   3.895  -7.780
  737   2HB   ALA 100          2HB       ALA 100  13.306   5.554  -8.309
  738   3HB   ALA 100          3HB       ALA 100  11.943   4.535  -7.848
  739    H    TYR 101           H        TYR 101  10.636   5.160  -5.677
  740    HA   TYR 101           HA       TYR 101  10.051   7.959  -6.089
  741   1HB   TYR 101          2HB       TYR 101   8.065   6.928  -6.541
  742   2HB   TYR 101          1HB       TYR 101   8.559   5.464  -5.700
  743    HD1  TYR 101           1HD      TYR 101   7.561   8.998  -4.920
  744    HD2  TYR 101           2HD      TYR 101   7.347   4.862  -3.788
  745    HE1  TYR 101           1HE      TYR 101   6.071   9.590  -3.023
  746    HE2  TYR 101           2HE      TYR 101   5.850   5.452  -1.902
  747    HH   TYR 101           HH       TYR 101   4.169   8.112  -1.652
  748    H    ASN 102           H        ASN 102  10.023   5.785  -3.266
  749    HA   ASN 102           HA       ASN 102   9.460   7.698  -1.315
  750   1HB   ASN 102          2HB       ASN 102   9.576   5.131  -1.083
  751   2HB   ASN 102          1HB       ASN 102  11.305   5.362  -0.827
  752   1HD2  ASN 102          1HD2      ASN 102  11.181   7.826   0.613
  753   2HD2  ASN 102          2HD2      ASN 102  10.464   7.512   2.116
  754    H    GLN 103           H        GLN 103  12.561   6.686  -2.695
  755    HA   GLN 103           HA       GLN 103  14.091   8.409  -0.953
  756   1HB   GLN 103          2HB       GLN 103  14.961   6.268  -1.978
  757   2HB   GLN 103          1HB       GLN 103  14.986   7.122  -3.522
  758   1HG   GLN 103          2HG       GLN 103  16.618   8.671  -2.767
  759   2HG   GLN 103          1HG       GLN 103  16.389   8.214  -1.080
  760   1HE2  GLN 103          1HE2      GLN 103  17.065   6.354  -4.109
  761   2HE2  GLN 103          2HE2      GLN 103  18.361   5.482  -3.444
  762    H    LYS 104           H        LYS 104  12.844   8.502  -4.254
  763    HA   LYS 104           HA       LYS 104  14.225  10.588  -5.379
  764   1HB   LYS 104          2HB       LYS 104  12.548   9.738  -6.774
  765   2HB   LYS 104          1HB       LYS 104  11.308   9.863  -5.534
  766   1HG   LYS 104          2HG       LYS 104  10.978  12.159  -5.890
  767   2HG   LYS 104          1HG       LYS 104  12.600  12.390  -6.543
  768   1HD   LYS 104          2HD       LYS 104  11.053  12.578  -8.377
  769   2HD   LYS 104          1HD       LYS 104  11.877  11.032  -8.561
  770   1HE   LYS 104          2HE       LYS 104   9.462  10.753  -8.911
  771   2HE   LYS 104          1HE       LYS 104   9.964   9.905  -7.449
  772   1HZ   LYS 104          1HZ       LYS 104   8.679  11.198  -6.207
  773   2HZ   LYS 104          2HZ       LYS 104   7.987  11.788  -7.643
  774   3HZ   LYS 104          3HZ       LYS 104   9.279  12.618  -6.915
  775    H    TYR 105           H        TYR 105  11.462  10.851  -3.187
  776    HA   TYR 105           HA       TYR 105  12.106  13.709  -2.751
  777   1HB   TYR 105          2HB       TYR 105   9.629  12.147  -2.833
  778   2HB   TYR 105          1HB       TYR 105   9.721  13.130  -1.374
  779    HD1  TYR 105           1HD      TYR 105   8.694  13.169  -4.728
  780    HD2  TYR 105           2HD      TYR 105  10.725  15.601  -1.832
  781    HE1  TYR 105           1HE      TYR 105   8.193  15.174  -6.072
  782    HE2  TYR 105           2HE      TYR 105  10.204  17.622  -3.172
  783    HH   TYR 105           HH       TYR 105   8.930  18.416  -4.880
  784    H    GLY 106           H        GLY 106  12.110  10.594  -1.224
  785   1HA   GLY 106          2HA       GLY 106  11.919  11.067   1.452
  786   2HA   GLY 106          1HA       GLY 106  13.090   9.951   0.769
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1 -18.400 -39.095   9.737
    2   2H    ALA   1          2HT       ALA   1 -16.790 -38.812   9.277
    3   3H    ALA   1          3HT       ALA   1 -18.030 -38.758   8.117
    4    HA   ALA   1           HA       ALA   1 -18.894 -36.765   8.932
    5   1HB   ALA   1          1HB       ALA   1 -18.117 -35.794  11.069
    6   2HB   ALA   1          2HB       ALA   1 -17.065 -37.187  11.314
    7   3HB   ALA   1          3HB       ALA   1 -18.817 -37.395  11.313
    8    H    ASP   2           H        ASP   2 -15.964 -38.023   8.109
    9    HA   ASP   2           HA       ASP   2 -14.372 -35.613   8.114
   10   1HB   ASP   2          2HB       ASP   2 -13.919 -38.203   6.613
   11   2HB   ASP   2          1HB       ASP   2 -12.726 -36.943   6.919
   12    H    LEU   3           H        LEU   3 -13.622 -34.524   6.207
   13    HA   LEU   3           HA       LEU   3 -14.759 -35.011   3.636
   14   1HB   LEU   3          2HB       LEU   3 -16.195 -33.040   3.471
   15   2HB   LEU   3          1HB       LEU   3 -16.764 -34.121   4.739
   16    HG   LEU   3           HG       LEU   3 -15.056 -32.492   6.180
   17   1HD1  LEU   3          1HD1      LEU   3 -16.421 -30.727   4.120
   18   2HD1  LEU   3          2HD1      LEU   3 -14.686 -31.019   4.213
   19   3HD1  LEU   3          3HD1      LEU   3 -15.506 -30.169   5.520
   20   1HD2  LEU   3          1HD2      LEU   3 -17.330 -33.062   6.865
   21   2HD2  LEU   3          2HD2      LEU   3 -18.001 -32.043   5.591
   22   3HD2  LEU   3          3HD2      LEU   3 -17.124 -31.312   6.935
   23    H    GLU   4           H        GLU   4 -12.743 -33.391   5.812
   24    HA   GLU   4           HA       GLU   4 -11.819 -31.327   4.015
   25   1HB   GLU   4          2HB       GLU   4 -10.694 -32.384   6.619
   26   2HB   GLU   4          1HB       GLU   4 -10.069 -30.982   5.750
   27   1HG   GLU   4          2HG       GLU   4 -12.261 -29.875   5.936
   28   2HG   GLU   4          1HG       GLU   4 -12.903 -31.279   6.784
   29    H    ASP   5           H        ASP   5 -11.750 -34.049   2.986
   30    HA   ASP   5           HA       ASP   5  -8.993 -34.911   2.984
   31   1HB   ASP   5          2HB       ASP   5 -10.888 -36.502   2.740
   32   2HB   ASP   5          1HB       ASP   5 -11.277 -35.763   1.188
   33    H    ASN   6           H        ASN   6  -7.425 -34.203   1.687
   34    HA   ASN   6           HA       ASN   6  -8.008 -33.225  -0.994
   35   1HB   ASN   6          2HB       ASN   6  -6.698 -31.431   1.065
   36   2HB   ASN   6          1HB       ASN   6  -6.912 -31.062  -0.646
   37   1HD2  ASN   6          1HD2      ASN   6  -8.474 -31.028   2.461
   38   2HD2  ASN   6          2HD2      ASN   6  -9.991 -30.494   1.918
   39    H    ASP   7           H        ASP   7  -6.555 -35.448   0.200
   40    HA   ASP   7           HA       ASP   7  -4.555 -36.556  -0.007
   41   1HB   ASP   7          2HB       ASP   7  -5.016 -35.941  -2.404
   42   2HB   ASP   7          1HB       ASP   7  -3.985 -34.529  -2.178
   43    H    GLU   8           H        GLU   8  -4.582 -34.712   2.040
   44    HA   GLU   8           HA       GLU   8  -2.648 -32.746   2.127
   45   1HB   GLU   8          2HB       GLU   8  -2.455 -33.287   4.565
   46   2HB   GLU   8          1HB       GLU   8  -4.119 -33.110   4.008
   47   1HG   GLU   8          2HG       GLU   8  -4.268 -35.582   3.758
   48   2HG   GLU   8          1HG       GLU   8  -2.636 -35.723   4.411
   49    H    THR   9           H        THR   9  -0.506 -32.855   3.274
   50    HA   THR   9           HA       THR   9   0.959 -35.375   2.918
   51    HB   THR   9           HB       THR   9   2.734 -34.262   1.624
   52    HG1  THR   9           1HG      THR   9   1.001 -32.094   1.996
   53   1HG2  THR   9          1HG2      THR   9   1.570 -34.173  -0.493
   54   2HG2  THR   9          2HG2      THR   9   0.034 -33.860   0.313
   55   3HG2  THR   9          3HG2      THR   9   0.817 -35.430   0.488
   56    H    GLY  10           H        GLY  10   0.968 -31.990   3.941
   57   1HA   GLY  10          2HA       GLY  10   2.007 -32.520   6.502
   58   2HA   GLY  10          1HA       GLY  10   3.333 -32.015   5.458
   59    H    ASN  11           H        ASN  11  -0.050 -30.950   5.418
   60    HA   ASN  11           HA       ASN  11   0.716 -28.301   6.439
   61   1HB   ASN  11          2HB       ASN  11  -0.422 -27.184   4.548
   62   2HB   ASN  11          1HB       ASN  11   0.989 -28.099   4.021
   63   1HD2  ASN  11          1HD2      ASN  11   0.634 -30.014   2.720
   64   2HD2  ASN  11          2HD2      ASN  11  -0.892 -30.389   2.077
   65    H    ASP  12           H        ASP  12  -1.331 -26.893   6.579
   66    HA   ASP  12           HA       ASP  12  -3.864 -28.214   6.799
   67   1HB   ASP  12          2HB       ASP  12  -2.608 -29.052   8.832
   68   2HB   ASP  12          1HB       ASP  12  -2.579 -27.385   9.406
   69    H    ASN  13           H        ASN  13  -5.332 -26.666   8.296
   70    HA   ASN  13           HA       ASN  13  -4.609 -23.848   7.966
   71   1HB   ASN  13          2HB       ASN  13  -5.672 -24.491   5.816
   72   2HB   ASN  13          1HB       ASN  13  -7.106 -25.006   6.704
   73   1HD2  ASN  13          1HD2      ASN  13  -4.971 -22.089   6.564
   74   2HD2  ASN  13          2HD2      ASN  13  -6.253 -20.980   6.631
   75    H    GLY  14           H        GLY  14  -4.688 -24.825  10.357
   76   1HA   GLY  14          2HA       GLY  14  -6.973 -23.575  11.586
   77   2HA   GLY  14          1HA       GLY  14  -6.967 -25.325  11.777
   78    H    LYS  15           H        LYS  15  -3.826 -24.253  11.499
   79    HA   LYS  15           HA       LYS  15  -3.396 -23.467  14.251
   80   1HB   LYS  15          2HB       LYS  15  -1.813 -25.439  14.624
   81   2HB   LYS  15          1HB       LYS  15  -3.540 -25.795  14.702
   82   1HG   LYS  15          2HG       LYS  15  -3.552 -26.765  12.534
   83   2HG   LYS  15          1HG       LYS  15  -1.974 -26.087  12.135
   84   1HD   LYS  15          2HD       LYS  15  -1.755 -28.476  12.650
   85   2HD   LYS  15          1HD       LYS  15  -0.936 -27.514  13.880
   86   1HE   LYS  15          2HE       LYS  15  -2.667 -27.851  15.462
   87   2HE   LYS  15          1HE       LYS  15  -3.803 -28.399  14.229
   88   1HZ   LYS  15          1HZ       LYS  15  -1.979 -30.215  13.875
   89   2HZ   LYS  15          2HZ       LYS  15  -3.140 -30.379  15.105
   90   3HZ   LYS  15          3HZ       LYS  15  -1.574 -29.834  15.478
   91    H    GLY  16           H        GLY  16  -2.705 -21.777  12.538
   92   1HA   GLY  16          2HA       GLY  16   0.207 -22.079  12.122
   93   2HA   GLY  16          1HA       GLY  16  -0.810 -21.565  10.778
   94    H    GLY  17           H        GLY  17  -1.443 -20.654  14.097
   95   1HA   GLY  17          2HA       GLY  17  -1.388 -17.852  13.415
   96   2HA   GLY  17          1HA       GLY  17  -1.744 -18.538  14.998
   97    H    GLU  18           H        GLU  18   0.528 -20.000  15.505
   98    HA   GLU  18           HA       GLU  18   2.277 -18.218  16.653
   99   1HB   GLU  18          2HB       GLU  18   3.956 -20.093  16.589
  100   2HB   GLU  18          1HB       GLU  18   2.382 -20.547  17.240
  101   1HG   GLU  18          2HG       GLU  18   3.024 -20.906  14.311
  102   2HG   GLU  18          1HG       GLU  18   3.467 -22.127  15.499
  103    H    LYS  19           H        LYS  19   4.647 -17.944  16.086
  104    HA   LYS  19           HA       LYS  19   4.805 -16.685  13.509
  105   1HB   LYS  19          2HB       LYS  19   6.045 -16.261  15.927
  106   2HB   LYS  19          1HB       LYS  19   7.311 -17.084  15.055
  107   1HG   LYS  19          2HG       LYS  19   7.597 -14.711  14.691
  108   2HG   LYS  19          1HG       LYS  19   7.082 -15.445  13.182
  109   1HD   LYS  19          2HD       LYS  19   5.992 -13.205  13.873
  110   2HD   LYS  19          1HD       LYS  19   4.917 -14.470  13.318
  111   1HE   LYS  19          2HE       LYS  19   4.200 -13.210  15.420
  112   2HE   LYS  19          1HE       LYS  19   4.204 -14.967  15.555
  113   1HZ   LYS  19          1HZ       LYS  19   5.513 -13.212  17.191
  114   2HZ   LYS  19          2HZ       LYS  19   6.746 -13.812  16.188
  115   3HZ   LYS  19          3HZ       LYS  19   5.792 -14.883  17.098
  116    H    ALA  20           H        ALA  20   7.230 -17.102  12.507
  117    HA   ALA  20           HA       ALA  20   7.866 -19.911  12.306
  118   1HB   ALA  20          1HB       ALA  20   6.728 -18.459   9.905
  119   2HB   ALA  20          2HB       ALA  20   5.937 -19.766  10.785
  120   3HB   ALA  20          3HB       ALA  20   7.425 -20.079   9.893
  121    H    ASP  21           H        ASP  21   8.551 -18.452   9.394
  122    HA   ASP  21           HA       ASP  21  10.874 -16.946  10.230
  123   1HB   ASP  21          2HB       ASP  21  12.506 -18.432   9.122
  124   2HB   ASP  21          1HB       ASP  21  11.730 -19.216  10.496
  125    H    ASN  22           H        ASN  22   8.981 -18.463   7.663
  126    HA   ASN  22           HA       ASN  22  10.110 -16.577   5.697
  127   1HB   ASN  22          2HB       ASN  22   9.886 -19.081   5.222
  128   2HB   ASN  22          1HB       ASN  22   8.177 -18.822   5.079
  129   1HD2  ASN  22          1HD2      ASN  22   8.768 -15.999   3.983
  130   2HD2  ASN  22          2HD2      ASN  22   9.243 -16.276   2.380
  131    H    ALA  23           H        ALA  23   6.923 -17.900   5.391
  132    HA   ALA  23           HA       ALA  23   5.610 -15.680   4.543
  133   1HB   ALA  23          1HB       ALA  23   4.310 -17.635   6.438
  134   2HB   ALA  23          2HB       ALA  23   4.698 -18.048   4.767
  135   3HB   ALA  23          3HB       ALA  23   3.560 -16.745   5.112
  136    H    ALA  24           H        ALA  24   5.887 -16.695   7.934
  137    HA   ALA  24           HA       ALA  24   4.455 -14.540   9.041
  138   1HB   ALA  24          1HB       ALA  24   6.760 -16.078  10.267
  139   2HB   ALA  24          2HB       ALA  24   5.066 -16.569  10.314
  140   3HB   ALA  24          3HB       ALA  24   5.583 -15.101  11.144
  141    H    GLN  25           H        GLN  25   7.941 -14.904   9.508
  142    HA   GLN  25           HA       GLN  25   8.643 -12.377  10.134
  143   1HB   GLN  25          2HB       GLN  25  10.072 -14.508   9.799
  144   2HB   GLN  25          1HB       GLN  25  10.278 -13.945   8.148
  145   1HG   GLN  25          2HG       GLN  25  11.426 -12.000   8.807
  146   2HG   GLN  25          1HG       GLN  25  10.856 -12.105  10.472
  147   1HE2  GLN  25          1HE2      GLN  25  11.522 -14.526  11.425
  148   2HE2  GLN  25          2HE2      GLN  25  13.171 -14.870  11.204
  149    H    VAL  26           H        VAL  26   7.818 -13.545   6.934
  150    HA   VAL  26           HA       VAL  26   8.741 -11.189   5.571
  151    HB   VAL  26           HB       VAL  26   7.116 -13.590   4.710
  152   1HG1  VAL  26          1HG1      VAL  26   6.227 -11.886   3.334
  153   2HG1  VAL  26          2HG1      VAL  26   7.529 -12.589   2.370
  154   3HG1  VAL  26          3HG1      VAL  26   7.780 -11.057   3.205
  155   1HG2  VAL  26          1HG2      VAL  26   9.135 -14.223   3.614
  156   2HG2  VAL  26          2HG2      VAL  26   9.678 -13.595   5.166
  157   3HG2  VAL  26          3HG2      VAL  26   9.800 -12.596   3.718
  158    H    LYS  27           H        LYS  27   5.517 -12.360   6.584
  159    HA   LYS  27           HA       LYS  27   4.033 -10.371   5.325
  160   1HB   LYS  27          2HB       LYS  27   2.240 -11.068   6.577
  161   2HB   LYS  27          1HB       LYS  27   3.307 -12.453   6.773
  162   1HG   LYS  27          2HG       LYS  27   4.147 -11.328   8.912
  163   2HG   LYS  27          1HG       LYS  27   2.802 -10.206   8.739
  164   1HD   LYS  27          2HD       LYS  27   2.515 -13.221   8.859
  165   2HD   LYS  27          1HD       LYS  27   2.273 -12.142  10.232
  166   1HE   LYS  27          2HE       LYS  27   0.574 -10.910   8.716
  167   2HE   LYS  27          1HE       LYS  27   0.640 -12.352   7.702
  168   1HZ   LYS  27          1HZ       LYS  27   0.372 -13.260  10.288
  169   2HZ   LYS  27          2HZ       LYS  27  -0.819 -13.258   9.076
  170   3HZ   LYS  27          3HZ       LYS  27  -0.708 -11.958  10.165
  171    H    ASP  28           H        ASP  28   5.700 -10.280   8.454
  172    HA   ASP  28           HA       ASP  28   4.807  -7.684   9.187
  173   1HB   ASP  28          2HB       ASP  28   7.361  -9.145   9.922
  174   2HB   ASP  28          1HB       ASP  28   6.763  -7.687  10.713
  175    H    ALA  29           H        ALA  29   7.321  -8.931   7.131
  176    HA   ALA  29           HA       ALA  29   8.763  -6.483   6.816
  177   1HB   ALA  29          1HB       ALA  29   8.749  -8.733   4.815
  178   2HB   ALA  29          2HB       ALA  29   9.569  -8.898   6.368
  179   3HB   ALA  29          3HB       ALA  29  10.065  -7.637   5.238
  180    H    LEU  30           H        LEU  30   5.808  -7.728   5.503
  181    HA   LEU  30           HA       LEU  30   5.911  -6.076   3.102
  182   1HB   LEU  30          2HB       LEU  30   3.964  -7.993   4.334
  183   2HB   LEU  30          1HB       LEU  30   3.352  -6.829   3.162
  184    HG   LEU  30           HG       LEU  30   5.844  -8.383   2.475
  185   1HD1  LEU  30          1HD1      LEU  30   4.572 -10.247   3.070
  186   2HD1  LEU  30          2HD1      LEU  30   4.165 -10.060   1.367
  187   3HD1  LEU  30          3HD1      LEU  30   3.051  -9.492   2.610
  188   1HD2  LEU  30          1HD2      LEU  30   5.048  -8.062   0.218
  189   2HD2  LEU  30          2HD2      LEU  30   4.880  -6.519   1.052
  190   3HD2  LEU  30          3HD2      LEU  30   3.466  -7.538   0.794
  191    H    THR  31           H        THR  31   4.618  -5.967   6.349
  192    HA   THR  31           HA       THR  31   2.943  -3.697   5.976
  193    HB   THR  31           HB       THR  31   2.912  -3.558   8.400
  194    HG1  THR  31           1HG      THR  31   4.371  -5.531   9.189
  195   1HG2  THR  31          1HG2      THR  31   1.552  -5.273   7.381
  196   2HG2  THR  31          2HG2      THR  31   2.242  -5.917   8.873
  197   3HG2  THR  31          3HG2      THR  31   2.928  -6.377   7.312
  198    H    LYS  32           H        LYS  32   6.354  -4.180   6.397
  199    HA   LYS  32           HA       LYS  32   7.164  -1.723   7.419
  200   1HB   LYS  32          2HB       LYS  32   8.573  -3.806   6.615
  201   2HB   LYS  32          1HB       LYS  32   8.635  -2.936   5.083
  202   1HG   LYS  32          2HG       LYS  32   9.327  -0.893   6.678
  203   2HG   LYS  32          1HG       LYS  32   9.835  -2.204   7.741
  204   1HD   LYS  32          2HD       LYS  32  11.780  -1.849   6.500
  205   2HD   LYS  32          1HD       LYS  32  11.014  -3.134   5.567
  206   1HE   LYS  32          2HE       LYS  32  11.547  -1.589   3.892
  207   2HE   LYS  32          1HE       LYS  32   9.886  -1.129   4.270
  208   1HZ   LYS  32          1HZ       LYS  32  12.358   0.289   4.767
  209   2HZ   LYS  32          2HZ       LYS  32  11.266   0.295   6.068
  210   3HZ   LYS  32          3HZ       LYS  32  10.786   0.888   4.551
  211    H    MET  33           H        MET  33   6.865  -2.612   3.969
  212    HA   MET  33           HA       MET  33   7.088  -0.091   2.835
  213   1HB   MET  33          2HB       MET  33   5.172  -2.271   1.959
  214   2HB   MET  33          1HB       MET  33   5.833  -0.986   0.950
  215   1HG   MET  33          2HG       MET  33   7.871  -2.661   2.345
  216   2HG   MET  33          1HG       MET  33   6.929  -3.490   1.117
  217   1HE   MET  33          1HE       MET  33   9.220  -0.457   1.945
  218   2HE   MET  33          2HE       MET  33  10.341  -0.633   0.598
  219   3HE   MET  33          3HE       MET  33  10.081  -1.983   1.700
  220    H    ARG  34           H        ARG  34   3.970  -1.751   3.431
  221    HA   ARG  34           HA       ARG  34   2.191   0.272   3.134
  222   1HB   ARG  34          2HB       ARG  34   1.704  -2.080   3.926
  223   2HB   ARG  34          1HB       ARG  34   2.137  -1.543   5.545
  224   1HG   ARG  34          2HG       ARG  34   0.400   0.157   5.501
  225   2HG   ARG  34          1HG       ARG  34   0.004  -0.252   3.831
  226   1HD   ARG  34          2HD       ARG  34  -0.745  -2.457   4.484
  227   2HD   ARG  34          1HD       ARG  34  -0.156  -2.223   6.129
  228    HE   ARG  34           HE       ARG  34  -2.046  -0.201   5.449
  229   1HH1  ARG  34          1HH2      ARG  34  -1.734  -3.556   6.246
  230   2HH1  ARG  34          2HH2      ARG  34  -3.318  -3.680   6.936
  231   1HH2  ARG  34          1HH1      ARG  34  -4.119  -0.358   6.352
  232   2HH2  ARG  34          2HH1      ARG  34  -4.669  -1.868   6.996
  233    H    ALA  35           H        ALA  35   3.276  -0.478   6.432
  234    HA   ALA  35           HA       ALA  35   2.517   1.800   7.710
  235   1HB   ALA  35          1HB       ALA  35   3.567  -0.119   8.837
  236   2HB   ALA  35          2HB       ALA  35   4.329   1.399   9.315
  237   3HB   ALA  35          3HB       ALA  35   5.129   0.337   8.156
  238    H    ALA  36           H        ALA  36   5.147   1.501   5.432
  239    HA   ALA  36           HA       ALA  36   6.357   4.031   6.151
  240   1HB   ALA  36          1HB       ALA  36   6.870   2.623   3.540
  241   2HB   ALA  36          2HB       ALA  36   7.518   1.973   5.044
  242   3HB   ALA  36          3HB       ALA  36   7.969   3.592   4.519
  243    H    ALA  37           H        ALA  37   4.301   2.781   3.543
  244    HA   ALA  37           HA       ALA  37   4.141   5.019   1.918
  245   1HB   ALA  37          1HB       ALA  37   2.076   4.146   1.107
  246   2HB   ALA  37          2HB       ALA  37   1.750   3.313   2.626
  247   3HB   ALA  37          3HB       ALA  37   3.039   2.743   1.567
  248    H    LEU  38           H        LEU  38   2.271   4.227   4.833
  249    HA   LEU  38           HA       LEU  38   0.744   6.652   4.803
  250   1HB   LEU  38          2HB       LEU  38   1.357   4.685   7.016
  251   2HB   LEU  38          1HB       LEU  38   0.226   6.025   7.180
  252    HG   LEU  38           HG       LEU  38  -0.086   4.088   4.883
  253   1HD1  LEU  38          1HD1      LEU  38  -1.054   3.672   7.727
  254   2HD1  LEU  38          2HD1      LEU  38   0.059   2.639   6.832
  255   3HD1  LEU  38          3HD1      LEU  38  -1.629   2.758   6.333
  256   1HD2  LEU  38          1HD2      LEU  38  -1.497   6.081   4.865
  257   2HD2  LEU  38          2HD2      LEU  38  -1.994   5.789   6.530
  258   3HD2  LEU  38          3HD2      LEU  38  -2.498   4.685   5.253
  259    H    ASP  39           H        ASP  39   3.686   5.600   6.443
  260    HA   ASP  39           HA       ASP  39   4.111   7.698   8.176
  261   1HB   ASP  39          2HB       ASP  39   5.481   5.609   7.996
  262   2HB   ASP  39          1HB       ASP  39   6.278   6.322   6.594
  263    H    ALA  40           H        ALA  40   5.404   7.446   4.852
  264    HA   ALA  40           HA       ALA  40   6.501  10.066   4.852
  265   1HB   ALA  40          1HB       ALA  40   5.698   8.553   2.376
  266   2HB   ALA  40          2HB       ALA  40   7.097   8.079   3.340
  267   3HB   ALA  40          3HB       ALA  40   7.041   9.675   2.594
  268    H    GLN  41           H        GLN  41   3.490   8.740   3.524
  269    HA   GLN  41           HA       GLN  41   2.416  10.696   2.069
  270   1HB   GLN  41          2HB       GLN  41   1.034   8.880   2.313
  271   2HB   GLN  41          1HB       GLN  41   1.376   8.742   4.035
  272   1HG   GLN  41          2HG       GLN  41  -0.135  10.594   4.530
  273   2HG   GLN  41          1HG       GLN  41  -0.413  10.862   2.801
  274   1HE2  GLN  41          1HE2      GLN  41  -0.079   7.630   2.895
  275   2HE2  GLN  41          2HE2      GLN  41  -1.685   7.151   3.202
  276    H    LYS  42           H        LYS  42   2.368  10.694   5.656
  277    HA   LYS  42           HA       LYS  42   2.239  13.639   5.571
  278   1HB   LYS  42          2HB       LYS  42   0.030  11.876   6.593
  279   2HB   LYS  42          1HB       LYS  42   0.292  13.456   7.326
  280   1HG   LYS  42          2HG       LYS  42   0.123  14.500   5.069
  281   2HG   LYS  42          1HG       LYS  42  -0.238  12.919   4.386
  282   1HD   LYS  42          2HD       LYS  42  -1.889  13.991   6.673
  283   2HD   LYS  42          1HD       LYS  42  -2.221  14.503   5.019
  284   1HE   LYS  42          2HE       LYS  42  -2.410  12.088   4.363
  285   2HE   LYS  42          1HE       LYS  42  -2.228  11.653   6.061
  286   1HZ   LYS  42          1HZ       LYS  42  -4.358  12.075   6.395
  287   2HZ   LYS  42          2HZ       LYS  42  -4.553  12.382   4.735
  288   3HZ   LYS  42          3HZ       LYS  42  -4.192  13.655   5.802
  289    H    ALA  43           H        ALA  43   3.563  10.934   6.994
  290    HA   ALA  43           HA       ALA  43   3.855  12.242   9.638
  291   1HB   ALA  43          1HB       ALA  43   3.262   9.659   9.093
  292   2HB   ALA  43          2HB       ALA  43   4.078  10.171  10.569
  293   3HB   ALA  43          3HB       ALA  43   5.017   9.540   9.220
  294    H    THR  44           H        THR  44   5.552  12.004   6.728
  295    HA   THR  44           HA       THR  44   7.920  13.108   7.972
  296    HB   THR  44           HB       THR  44   8.056  10.463   6.535
  297    HG1  THR  44           1HG      THR  44   7.772  11.162   9.099
  298   1HG2  THR  44          1HG2      THR  44  10.506  10.667   7.218
  299   2HG2  THR  44          2HG2      THR  44  10.176  12.371   7.533
  300   3HG2  THR  44          3HG2      THR  44   9.985  11.721   5.905
  301    HA   PRO  45           HA       PRO  45   6.809  15.111   3.924
  302   1HB   PRO  45          2HB       PRO  45   9.080  16.700   5.094
  303   2HB   PRO  45          1HB       PRO  45   7.673  17.272   4.171
  304   1HG   PRO  45          2HG       PRO  45   7.688  17.477   6.800
  305   2HG   PRO  45          1HG       PRO  45   6.215  16.964   5.953
  306   1HD   PRO  45          2HD       PRO  45   8.101  15.335   7.597
  307   2HD   PRO  45          1HD       PRO  45   6.358  15.098   7.324
  308    HA   PRO  46           HA       PRO  46  10.479  12.832   2.358
  309   1HB   PRO  46          2HB       PRO  46   9.342  11.657   0.219
  310   2HB   PRO  46          1HB       PRO  46   9.000  11.094   1.868
  311   1HG   PRO  46          2HG       PRO  46   7.341  12.818   0.085
  312   2HG   PRO  46          1HG       PRO  46   6.841  11.515   1.158
  313   1HD   PRO  46          2HD       PRO  46   6.694  14.223   1.799
  314   2HD   PRO  46          1HD       PRO  46   6.707  12.910   2.999
  315    H    LYS  47           H        LYS  47   8.958  13.176  -0.693
  316    HA   LYS  47           HA       LYS  47  11.016  15.045  -1.572
  317   1HB   LYS  47          2HB       LYS  47   8.786  13.803  -3.195
  318   2HB   LYS  47          1HB       LYS  47  10.271  14.538  -3.800
  319   1HG   LYS  47          2HG       LYS  47  10.112  12.046  -2.076
  320   2HG   LYS  47          1HG       LYS  47  10.442  12.078  -3.808
  321   1HD   LYS  47          2HD       LYS  47  12.404  13.686  -3.161
  322   2HD   LYS  47          1HD       LYS  47  12.182  13.035  -1.537
  323   1HE   LYS  47          2HE       LYS  47  12.478  10.747  -2.410
  324   2HE   LYS  47          1HE       LYS  47  12.716  11.398  -4.032
  325   1HZ   LYS  47          1HZ       LYS  47  14.504  12.821  -2.749
  326   2HZ   LYS  47          2HZ       LYS  47  14.862  11.276  -3.359
  327   3HZ   LYS  47          3HZ       LYS  47  14.490  11.478  -1.713
  328    H    LEU  48           H        LEU  48   7.883  15.232  -0.333
  329    HA   LEU  48           HA       LEU  48   6.996  17.506  -1.890
  330   1HB   LEU  48          2HB       LEU  48   5.914  16.724   0.815
  331   2HB   LEU  48          1HB       LEU  48   5.076  17.527  -0.516
  332    HG   LEU  48           HG       LEU  48   6.135  14.679  -0.633
  333   1HD1  LEU  48          1HD1      LEU  48   3.923  13.907  -0.232
  334   2HD1  LEU  48          2HD1      LEU  48   3.248  15.527  -0.383
  335   3HD1  LEU  48          3HD1      LEU  48   4.235  15.110   1.017
  336   1HD2  LEU  48          1HD2      LEU  48   5.978  15.533  -2.846
  337   2HD2  LEU  48          2HD2      LEU  48   4.493  16.413  -2.486
  338   3HD2  LEU  48          3HD2      LEU  48   4.469  14.654  -2.602
  339    H    GLU  49           H        GLU  49   9.613  17.815  -0.739
  340    HA   GLU  49           HA       GLU  49   9.613  19.383   1.605
  341   1HB   GLU  49          2HB       GLU  49  11.493  19.279  -0.761
  342   2HB   GLU  49          1HB       GLU  49  11.795  20.281   0.660
  343   1HG   GLU  49          2HG       GLU  49  11.262  17.307   0.816
  344   2HG   GLU  49          1HG       GLU  49  12.883  17.992   0.720
  345    H    ASP  50           H        ASP  50   8.673  20.049  -1.638
  346    HA   ASP  50           HA       ASP  50   7.732  22.683  -0.903
  347   1HB   ASP  50          2HB       ASP  50   8.951  23.863  -2.683
  348   2HB   ASP  50          1HB       ASP  50  10.065  23.179  -1.500
  349    H    LYS  51           H        LYS  51   6.351  20.384  -1.628
  350    HA   LYS  51           HA       LYS  51   5.131  21.242  -4.175
  351   1HB   LYS  51          2HB       LYS  51   5.511  18.311  -3.555
  352   2HB   LYS  51          1HB       LYS  51   5.060  19.066  -5.083
  353   1HG   LYS  51          2HG       LYS  51   7.437  20.234  -4.833
  354   2HG   LYS  51          1HG       LYS  51   7.768  18.852  -3.793
  355   1HD   LYS  51          2HD       LYS  51   6.813  18.727  -6.672
  356   2HD   LYS  51          1HD       LYS  51   8.444  18.367  -6.108
  357   1HE   LYS  51          2HE       LYS  51   5.920  16.856  -5.353
  358   2HE   LYS  51          1HE       LYS  51   7.197  16.281  -6.423
  359   1HZ   LYS  51          1HZ       LYS  51   7.636  15.349  -4.331
  360   2HZ   LYS  51          2HZ       LYS  51   7.357  16.814  -3.516
  361   3HZ   LYS  51          3HZ       LYS  51   8.741  16.628  -4.484
  362    H    SER  52           H        SER  52   4.172  21.902  -1.695
  363    HA   SER  52           HA       SER  52   2.497  20.239  -0.335
  364   1HB   SER  52          2HB       SER  52   2.951  22.957  -0.393
  365   2HB   SER  52          1HB       SER  52   1.256  22.864  -0.850
  366    HG   SER  52           HG       SER  52   0.991  22.637   1.231
  367    HA   PRO  53           HA       PRO  53  -1.116  19.052  -2.586
  368   1HB   PRO  53          2HB       PRO  53  -2.905  21.016  -1.205
  369   2HB   PRO  53          1HB       PRO  53  -3.044  19.250  -1.319
  370   1HG   PRO  53          2HG       PRO  53  -2.260  20.398   0.935
  371   2HG   PRO  53          1HG       PRO  53  -1.507  18.892   0.376
  372   1HD   PRO  53          2HD       PRO  53  -0.440  21.699   0.230
  373   2HD   PRO  53          1HD       PRO  53   0.414  20.186   0.616
  374    H    ASP  54           H        ASP  54   0.380  21.170  -3.803
  375    HA   ASP  54           HA       ASP  54  -1.647  22.824  -5.178
  376   1HB   ASP  54          2HB       ASP  54   0.302  23.976  -4.170
  377   2HB   ASP  54          1HB       ASP  54   1.374  23.026  -5.198
  378    H    SER  55           H        SER  55   1.430  21.273  -6.055
  379    HA   SER  55           HA       SER  55   0.675  20.876  -8.786
  380   1HB   SER  55          2HB       SER  55   2.887  19.218  -7.681
  381   2HB   SER  55          1HB       SER  55   2.890  20.331  -9.053
  382    HG   SER  55           HG       SER  55   4.130  20.975  -7.144
  383    HA   PRO  56           HA       PRO  56  -1.094  16.828  -8.873
  384   1HB   PRO  56          2HB       PRO  56   1.442  15.458  -9.696
  385   2HB   PRO  56          1HB       PRO  56  -0.156  15.435 -10.472
  386   1HG   PRO  56          2HG       PRO  56   1.812  16.857 -11.518
  387   2HG   PRO  56          1HG       PRO  56   0.162  17.511 -11.471
  388   1HD   PRO  56          2HD       PRO  56   2.493  18.158  -9.691
  389   2HD   PRO  56          1HD       PRO  56   1.281  19.259 -10.389
  390    H    GLU  57           H        GLU  57   1.040  17.626  -6.586
  391    HA   GLU  57           HA       GLU  57   2.115  15.518  -5.279
  392   1HB   GLU  57          2HB       GLU  57   2.271  17.649  -4.254
  393   2HB   GLU  57          1HB       GLU  57   0.526  17.838  -4.170
  394   1HG   GLU  57          2HG       GLU  57   0.355  16.109  -2.468
  395   2HG   GLU  57          1HG       GLU  57   2.055  15.690  -2.659
  396    H    MET  58           H        MET  58  -1.249  16.555  -4.798
  397    HA   MET  58           HA       MET  58  -2.064  14.344  -3.273
  398   1HB   MET  58          2HB       MET  58  -3.811  15.943  -5.147
  399   2HB   MET  58          1HB       MET  58  -4.291  15.076  -3.687
  400   1HG   MET  58          2HG       MET  58  -2.997  16.601  -2.293
  401   2HG   MET  58          1HG       MET  58  -2.362  17.434  -3.715
  402   1HE   MET  58          1HE       MET  58  -5.371  16.177  -1.911
  403   2HE   MET  58          2HE       MET  58  -6.563  17.473  -1.952
  404   3HE   MET  58          3HE       MET  58  -5.101  17.661  -0.987
  405    H    LYS  59           H        LYS  59  -2.295  14.944  -6.780
  406    HA   LYS  59           HA       LYS  59  -3.596  12.571  -7.492
  407   1HB   LYS  59          2HB       LYS  59  -1.567  14.232  -9.005
  408   2HB   LYS  59          1HB       LYS  59  -2.458  12.895  -9.726
  409   1HG   LYS  59          2HG       LYS  59  -3.992  15.066  -8.303
  410   2HG   LYS  59          1HG       LYS  59  -3.381  15.374  -9.925
  411   1HD   LYS  59          2HD       LYS  59  -4.545  13.356 -10.749
  412   2HD   LYS  59          1HD       LYS  59  -5.172  13.057  -9.127
  413   1HE   LYS  59          2HE       LYS  59  -6.471  15.062  -9.155
  414   2HE   LYS  59          1HE       LYS  59  -5.651  15.653 -10.600
  415   1HZ   LYS  59          1HZ       LYS  59  -7.967  14.168 -10.500
  416   2HZ   LYS  59          2HZ       LYS  59  -6.777  13.088 -11.051
  417   3HZ   LYS  59          3HZ       LYS  59  -7.058  14.544 -11.881
  418    H    ASP  60           H        ASP  60  -0.160  13.266  -7.014
  419    HA   ASP  60           HA       ASP  60   0.692  10.609  -7.741
  420   1HB   ASP  60          2HB       ASP  60   2.150  12.560  -8.062
  421   2HB   ASP  60          1HB       ASP  60   2.175  12.832  -6.321
  422    H    PHE  61           H        PHE  61   0.021  12.343  -4.749
  423    HA   PHE  61           HA       PHE  61   0.980  10.231  -3.041
  424   1HB   PHE  61          2HB       PHE  61   1.034  12.226  -1.839
  425   2HB   PHE  61          1HB       PHE  61  -0.414  12.857  -2.616
  426    HD1  PHE  61           1HD      PHE  61  -1.820  13.420  -0.794
  427    HD2  PHE  61           2HD      PHE  61   0.042   9.555  -0.896
  428    HE1  PHE  61           1HE      PHE  61  -3.234  12.697   1.101
  429    HE2  PHE  61           2HE      PHE  61  -1.371   8.830   1.004
  430    HZ   PHE  61           HZ       PHE  61  -3.013  10.402   1.999
  431    H    ARG  62           H        ARG  62  -2.278  11.616  -3.402
  432    HA   ARG  62           HA       ARG  62  -3.802   9.704  -2.257
  433   1HB   ARG  62          2HB       ARG  62  -4.478  10.962  -4.929
  434   2HB   ARG  62          1HB       ARG  62  -5.619  10.306  -3.759
  435   1HG   ARG  62          2HG       ARG  62  -3.730  12.490  -2.891
  436   2HG   ARG  62          1HG       ARG  62  -5.159  12.907  -3.829
  437   1HD   ARG  62          2HD       ARG  62  -5.301  11.210  -1.337
  438   2HD   ARG  62          1HD       ARG  62  -5.387  12.966  -1.295
  439    HE   ARG  62           HE       ARG  62  -7.459  11.163  -2.188
  440   1HH1  ARG  62          1HH2      ARG  62  -6.079  14.326  -2.443
  441   2HH1  ARG  62          2HH2      ARG  62  -7.554  15.079  -2.953
  442   1HH2  ARG  62          1HH1      ARG  62  -9.397  12.142  -2.851
  443   2HH2  ARG  62          2HH1      ARG  62  -9.432  13.842  -3.184
  444    H    HIS  63           H        HIS  63  -2.376   9.510  -5.508
  445    HA   HIS  63           HA       HIS  63  -3.498   6.865  -5.926
  446   1HB   HIS  63          2HB       HIS  63  -3.003   8.571  -7.768
  447   2HB   HIS  63          1HB       HIS  63  -1.304   8.151  -7.549
  448    HD1  HIS  63           1HD      HIS  63  -0.676   6.571  -9.364
  449    HD2  HIS  63           2HD      HIS  63  -4.472   5.733  -7.858
  450    HE1  HIS  63           1HE      HIS  63  -1.477   4.487 -10.561
  451    HE2  HIS  63           2HE      HIS  63  -3.790   3.963  -9.652
  452    H    GLY  64           H        GLY  64  -0.252   8.247  -5.544
  453   1HA   GLY  64          2HA       GLY  64   1.351   6.066  -5.582
  454   2HA   GLY  64          1HA       GLY  64   1.604   7.385  -4.456
  455    H    PHE  65           H        PHE  65  -0.724   7.033  -2.834
  456    HA   PHE  65           HA       PHE  65   0.225   4.781  -1.263
  457   1HB   PHE  65          2HB       PHE  65  -0.549   6.042   0.454
  458   2HB   PHE  65          1HB       PHE  65  -1.228   7.199  -0.676
  459    HD1  PHE  65           1HD      PHE  65  -3.513   6.327  -1.825
  460    HD2  PHE  65           2HD      PHE  65  -2.018   5.025   1.968
  461    HE1  PHE  65           1HE      PHE  65  -5.768   5.628  -1.212
  462    HE2  PHE  65           2HE      PHE  65  -4.310   4.320   2.605
  463    HZ   PHE  65           HZ       PHE  65  -6.178   4.627   1.000
  464    H    ASP  66           H        ASP  66  -2.354   5.492  -3.481
  465    HA   ASP  66           HA       ASP  66  -3.983   3.227  -2.856
  466   1HB   ASP  66          2HB       ASP  66  -4.675   5.324  -4.154
  467   2HB   ASP  66          1HB       ASP  66  -3.825   4.624  -5.533
  468    H    ILE  67           H        ILE  67  -1.180   3.874  -4.780
  469    HA   ILE  67           HA       ILE  67  -1.223   1.481  -6.362
  470    HB   ILE  67           HB       ILE  67   0.928   3.526  -5.721
  471   1HG1  ILE  67          2HG1      ILE  67  -0.654   2.965  -8.249
  472   2HG1  ILE  67          1HG1      ILE  67  -1.055   4.208  -7.069
  473   1HG2  ILE  67          1HG2      ILE  67   2.090   1.468  -6.240
  474   2HG2  ILE  67          2HG2      ILE  67   2.117   2.457  -7.700
  475   3HG2  ILE  67          3HG2      ILE  67   0.982   1.112  -7.566
  476   1HD1  ILE  67          1HD1      ILE  67   0.506   4.667  -9.245
  477   2HD1  ILE  67          2HD1      ILE  67   1.750   4.263  -8.064
  478   3HD1  ILE  67          3HD1      ILE  67   0.633   5.592  -7.753
  479    H    LEU  68           H        LEU  68   0.798   2.621  -3.696
  480    HA   LEU  68           HA       LEU  68   2.246   0.288  -3.263
  481   1HB   LEU  68          2HB       LEU  68   1.634   2.734  -1.731
  482   2HB   LEU  68          1HB       LEU  68   2.099   1.356  -0.737
  483    HG   LEU  68           HG       LEU  68   4.122   1.056  -2.250
  484   1HD1  LEU  68          1HD1      LEU  68   4.757   2.910  -3.705
  485   2HD1  LEU  68          2HD1      LEU  68   3.303   3.799  -3.249
  486   3HD1  LEU  68          3HD1      LEU  68   3.168   2.308  -4.181
  487   1HD2  LEU  68          1HD2      LEU  68   4.509   2.124  -0.152
  488   2HD2  LEU  68          2HD2      LEU  68   3.785   3.636  -0.703
  489   3HD2  LEU  68          3HD2      LEU  68   5.326   3.100  -1.366
  490    H    VAL  69           H        VAL  69  -0.797   1.273  -1.647
  491    HA   VAL  69           HA       VAL  69  -0.997  -1.057  -0.053
  492    HB   VAL  69           HB       VAL  69  -3.280  -0.417   0.366
  493   1HG1  VAL  69          1HG1      VAL  69  -2.857   2.233   0.583
  494   2HG1  VAL  69          2HG1      VAL  69  -1.201   1.741   0.238
  495   3HG1  VAL  69          3HG1      VAL  69  -2.041   1.075   1.633
  496   1HG2  VAL  69          1HG2      VAL  69  -2.934   1.215  -2.147
  497   2HG2  VAL  69          2HG2      VAL  69  -4.226   1.540  -0.992
  498   3HG2  VAL  69          3HG2      VAL  69  -4.144  -0.022  -1.808
  499    H    GLY  70           H        GLY  70  -1.787  -0.433  -3.380
  500   1HA   GLY  70          2HA       GLY  70  -3.554  -2.680  -3.705
  501   2HA   GLY  70          1HA       GLY  70  -2.851  -1.709  -4.995
  502    H    GLN  71           H        GLN  71  -0.111  -2.098  -4.041
  503    HA   GLN  71           HA       GLN  71   0.370  -4.687  -5.298
  504   1HB   GLN  71          2HB       GLN  71   2.322  -2.606  -4.280
  505   2HB   GLN  71          1HB       GLN  71   2.711  -4.009  -5.275
  506   1HG   GLN  71          2HG       GLN  71   1.467  -3.167  -7.124
  507   2HG   GLN  71          1HG       GLN  71   0.715  -1.921  -6.135
  508   1HE2  GLN  71          1HE2      GLN  71   3.147  -1.076  -4.759
  509   2HE2  GLN  71          2HE2      GLN  71   4.124  -0.313  -5.912
  510    H    ILE  72           H        ILE  72   1.063  -3.047  -2.233
  511    HA   ILE  72           HA       ILE  72   2.472  -4.961  -0.852
  512    HB   ILE  72           HB       ILE  72   0.453  -2.887  -0.101
  513   1HG1  ILE  72          2HG1      ILE  72   3.121  -3.288   1.232
  514   2HG1  ILE  72          1HG1      ILE  72   3.091  -2.730  -0.437
  515   1HG2  ILE  72          1HG2      ILE  72   0.756  -3.467   2.336
  516   2HG2  ILE  72          2HG2      ILE  72   1.425  -5.017   1.821
  517   3HG2  ILE  72          3HG2      ILE  72  -0.247  -4.603   1.437
  518   1HD1  ILE  72          1HD1      ILE  72   1.444  -1.409   1.718
  519   2HD1  ILE  72          2HD1      ILE  72   1.841  -0.788   0.120
  520   3HD1  ILE  72          3HD1      ILE  72   3.095  -0.910   1.348
  521    H    ASP  73           H        ASP  73  -1.017  -4.828  -1.421
  522    HA   ASP  73           HA       ASP  73  -1.593  -7.244   0.008
  523   1HB   ASP  73          2HB       ASP  73  -3.295  -5.474  -0.474
  524   2HB   ASP  73          1HB       ASP  73  -3.203  -5.903  -2.182
  525    H    ASP  74           H        ASP  74  -1.459  -6.418  -3.454
  526    HA   ASP  74           HA       ASP  74  -1.812  -8.836  -4.648
  527   1HB   ASP  74          2HB       ASP  74  -1.258  -6.560  -5.714
  528   2HB   ASP  74          1HB       ASP  74   0.432  -7.017  -5.506
  529    H    ALA  75           H        ALA  75   1.034  -7.693  -2.929
  530    HA   ALA  75           HA       ALA  75   2.760  -9.807  -3.707
  531   1HB   ALA  75          1HB       ALA  75   4.003  -9.127  -1.567
  532   2HB   ALA  75          2HB       ALA  75   2.780  -7.868  -1.404
  533   3HB   ALA  75          3HB       ALA  75   3.830  -7.897  -2.818
  534    H    LEU  76           H        LEU  76   1.362  -9.241  -0.443
  535    HA   LEU  76           HA       LEU  76   1.747 -11.839   0.488
  536   1HB   LEU  76          2HB       LEU  76   0.888  -9.841   1.839
  537   2HB   LEU  76          1HB       LEU  76  -0.703 -10.227   1.187
  538    HG   LEU  76           HG       LEU  76  -0.099 -12.704   2.027
  539   1HD1  LEU  76          1HD1      LEU  76   1.584 -10.898   3.806
  540   2HD1  LEU  76          2HD1      LEU  76   2.182 -12.179   2.752
  541   3HD1  LEU  76          3HD1      LEU  76   1.196 -12.582   4.156
  542   1HD2  LEU  76          1HD2      LEU  76  -2.008 -11.405   2.851
  543   2HD2  LEU  76          2HD2      LEU  76  -0.944 -10.426   3.862
  544   3HD2  LEU  76          3HD2      LEU  76  -1.167 -12.141   4.215
  545    H    LYS  77           H        LYS  77  -0.996 -10.451  -1.260
  546    HA   LYS  77           HA       LYS  77  -2.865 -12.413  -1.317
  547   1HB   LYS  77          2HB       LYS  77  -2.866 -10.222  -2.563
  548   2HB   LYS  77          1HB       LYS  77  -1.870 -10.984  -3.792
  549   1HG   LYS  77          2HG       LYS  77  -4.528 -12.149  -2.941
  550   2HG   LYS  77          1HG       LYS  77  -4.431 -10.893  -4.162
  551   1HD   LYS  77          2HD       LYS  77  -3.997 -12.474  -5.734
  552   2HD   LYS  77          1HD       LYS  77  -2.471 -12.820  -4.934
  553   1HE   LYS  77          2HE       LYS  77  -3.454 -14.926  -4.865
  554   2HE   LYS  77          1HE       LYS  77  -4.069 -14.290  -3.342
  555   1HZ   LYS  77          1HZ       LYS  77  -5.972 -13.409  -4.829
  556   2HZ   LYS  77          2HZ       LYS  77  -5.966 -15.042  -4.358
  557   3HZ   LYS  77          3HZ       LYS  77  -5.452 -14.602  -5.917
  558    H    LEU  78           H        LEU  78  -0.004 -12.283  -3.386
  559    HA   LEU  78           HA       LEU  78  -0.385 -14.821  -4.598
  560   1HB   LEU  78          2HB       LEU  78   0.981 -13.152  -5.646
  561   2HB   LEU  78          1HB       LEU  78   2.064 -13.098  -4.260
  562    HG   LEU  78           HG       LEU  78   2.935 -15.269  -4.710
  563   1HD1  LEU  78          1HD1      LEU  78   1.000 -16.580  -5.211
  564   2HD1  LEU  78          2HD1      LEU  78   1.983 -16.627  -6.667
  565   3HD1  LEU  78          3HD1      LEU  78   0.578 -15.564  -6.588
  566   1HD2  LEU  78          1HD2      LEU  78   3.585 -15.098  -7.135
  567   2HD2  LEU  78          2HD2      LEU  78   3.851 -13.623  -6.209
  568   3HD2  LEU  78          3HD2      LEU  78   2.458 -13.757  -7.282
  569    H    ALA  79           H        ALA  79   1.953 -13.794  -2.098
  570    HA   ALA  79           HA       ALA  79   3.087 -16.247  -1.477
  571   1HB   ALA  79          1HB       ALA  79   3.795 -14.037  -0.566
  572   2HB   ALA  79          2HB       ALA  79   3.648 -15.283   0.666
  573   3HB   ALA  79          3HB       ALA  79   2.394 -14.065   0.499
  574    H    ASN  80           H        ASN  80   0.127 -14.827  -0.042
  575    HA   ASN  80           HA       ASN  80  -0.290 -16.952   1.745
  576   1HB   ASN  80          2HB       ASN  80  -2.183 -15.845   2.419
  577   2HB   ASN  80          1HB       ASN  80  -1.405 -14.528   1.563
  578   1HD2  ASN  80          1HD2      ASN  80  -2.938 -13.421   0.341
  579   2HD2  ASN  80          2HD2      ASN  80  -4.211 -14.150  -0.508
  580    H    GLU  81           H        GLU  81  -0.880 -16.488  -1.611
  581    HA   GLU  81           HA       GLU  81  -2.845 -18.542  -1.904
  582   1HB   GLU  81          2HB       GLU  81  -2.400 -16.563  -3.495
  583   2HB   GLU  81          1HB       GLU  81  -1.077 -17.541  -4.128
  584   1HG   GLU  81          2HG       GLU  81  -2.988 -18.006  -5.500
  585   2HG   GLU  81          1HG       GLU  81  -2.751 -19.413  -4.464
  586    H    GLY  82           H        GLY  82   0.662 -18.365  -2.726
  587   1HA   GLY  82          2HA       GLY  82   0.753 -21.305  -2.407
  588   2HA   GLY  82          1HA       GLY  82   1.444 -20.536  -3.829
  589    H    LYS  83           H        LYS  83   3.397 -19.457  -3.667
  590    HA   LYS  83           HA       LYS  83   4.904 -20.009  -1.194
  591   1HB   LYS  83          2HB       LYS  83   5.530 -21.118  -3.348
  592   2HB   LYS  83          1HB       LYS  83   5.961 -19.536  -3.967
  593   1HG   LYS  83          2HG       LYS  83   8.023 -20.316  -3.196
  594   2HG   LYS  83          1HG       LYS  83   7.456 -19.380  -1.830
  595   1HD   LYS  83          2HD       LYS  83   8.334 -21.497  -1.037
  596   2HD   LYS  83          1HD       LYS  83   6.599 -21.457  -0.777
  597   1HE   LYS  83          2HE       LYS  83   7.493 -22.603  -3.384
  598   2HE   LYS  83          1HE       LYS  83   7.862 -23.556  -1.948
  599   1HZ   LYS  83          1HZ       LYS  83   5.443 -23.393  -3.260
  600   2HZ   LYS  83          2HZ       LYS  83   5.224 -22.538  -1.808
  601   3HZ   LYS  83          3HZ       LYS  83   5.755 -24.151  -1.775
  602    H    VAL  84           H        VAL  84   6.150 -18.572  -0.162
  603    HA   VAL  84           HA       VAL  84   5.599 -15.765  -0.512
  604    HB   VAL  84           HB       VAL  84   7.546 -17.230   1.279
  605   1HG1  VAL  84          1HG1      VAL  84   6.890 -14.316   0.927
  606   2HG1  VAL  84          2HG1      VAL  84   8.441 -15.079   1.277
  607   3HG1  VAL  84          3HG1      VAL  84   7.233 -14.909   2.550
  608   1HG2  VAL  84          1HG2      VAL  84   4.852 -17.374   1.466
  609   2HG2  VAL  84          2HG2      VAL  84   5.099 -15.848   2.318
  610   3HG2  VAL  84          3HG2      VAL  84   5.888 -17.312   2.890
  611    H    LYS  85           H        LYS  85   8.087 -17.962  -1.505
  612    HA   LYS  85           HA       LYS  85  10.141 -16.053  -2.031
  613   1HB   LYS  85          2HB       LYS  85   9.781 -18.768  -3.322
  614   2HB   LYS  85          1HB       LYS  85  11.279 -17.857  -3.148
  615   1HG   LYS  85          2HG       LYS  85   9.627 -18.898  -0.827
  616   2HG   LYS  85          1HG       LYS  85  11.057 -19.703  -1.473
  617   1HD   LYS  85          2HD       LYS  85  12.257 -17.429  -1.072
  618   2HD   LYS  85          1HD       LYS  85  10.878 -17.050  -0.040
  619   1HE   LYS  85          2HE       LYS  85  12.485 -18.009   1.423
  620   2HE   LYS  85          1HE       LYS  85  11.335 -19.308   1.108
  621   1HZ   LYS  85          1HZ       LYS  85  13.902 -19.683   0.860
  622   2HZ   LYS  85          2HZ       LYS  85  13.633 -19.025  -0.684
  623   3HZ   LYS  85          3HZ       LYS  85  12.804 -20.425  -0.199
  624    H    GLU  86           H        GLU  86   7.419 -17.397  -3.712
  625    HA   GLU  86           HA       GLU  86   8.105 -16.421  -6.311
  626   1HB   GLU  86          2HB       GLU  86   6.435 -18.260  -5.826
  627   2HB   GLU  86          1HB       GLU  86   5.344 -17.018  -5.214
  628   1HG   GLU  86          2HG       GLU  86   4.702 -17.261  -7.468
  629   2HG   GLU  86          1HG       GLU  86   5.742 -15.843  -7.461
  630    H    ALA  87           H        ALA  87   6.552 -15.207  -3.480
  631    HA   ALA  87           HA       ALA  87   5.551 -12.790  -4.696
  632   1HB   ALA  87          1HB       ALA  87   4.340 -13.863  -2.832
  633   2HB   ALA  87          2HB       ALA  87   4.831 -12.217  -2.429
  634   3HB   ALA  87          3HB       ALA  87   5.733 -13.589  -1.786
  635    H    GLN  88           H        GLN  88   8.103 -13.699  -2.365
  636    HA   GLN  88           HA       GLN  88   9.150 -11.202  -1.808
  637   1HB   GLN  88          2HB       GLN  88  10.926 -12.327  -0.877
  638   2HB   GLN  88          1HB       GLN  88   9.869 -13.707  -1.120
  639   1HG   GLN  88          2HG       GLN  88  11.875 -14.472  -2.045
  640   2HG   GLN  88          1HG       GLN  88  11.041 -13.862  -3.462
  641   1HE2  GLN  88          1HE2      GLN  88  11.522 -11.053  -2.326
  642   2HE2  GLN  88          2HE2      GLN  88  13.120 -10.702  -2.757
  643    H    ALA  89           H        ALA  89   9.437 -13.145  -4.689
  644    HA   ALA  89           HA       ALA  89  11.319 -11.366  -5.982
  645   1HB   ALA  89          1HB       ALA  89   9.542 -13.539  -7.136
  646   2HB   ALA  89          2HB       ALA  89  11.208 -13.760  -6.605
  647   3HB   ALA  89          3HB       ALA  89  10.853 -12.723  -7.986
  648    H    ALA  90           H        ALA  90   7.834 -12.071  -6.035
  649    HA   ALA  90           HA       ALA  90   7.177 -10.135  -8.011
  650   1HB   ALA  90          1HB       ALA  90   5.281 -10.761  -5.764
  651   2HB   ALA  90          2HB       ALA  90   5.713 -12.036  -6.904
  652   3HB   ALA  90          3HB       ALA  90   4.948 -10.558  -7.484
  653    H    ALA  91           H        ALA  91   8.362  -9.881  -4.869
  654    HA   ALA  91           HA       ALA  91   7.159  -7.335  -4.213
  655   1HB   ALA  91          1HB       ALA  91   8.259  -7.498  -2.161
  656   2HB   ALA  91          2HB       ALA  91   9.569  -8.471  -2.826
  657   3HB   ALA  91          3HB       ALA  91   7.977  -9.187  -2.579
  658    H    GLU  92           H        GLU  92  10.256  -8.520  -5.440
  659    HA   GLU  92           HA       GLU  92  11.676  -6.105  -5.254
  660   1HB   GLU  92          2HB       GLU  92  13.356  -7.163  -6.445
  661   2HB   GLU  92          1HB       GLU  92  12.446  -8.559  -5.885
  662   1HG   GLU  92          2HG       GLU  92  12.729  -9.036  -8.160
  663   2HG   GLU  92          1HG       GLU  92  11.133  -8.298  -8.135
  664    H    GLN  93           H        GLN  93   9.449  -7.300  -7.739
  665    HA   GLN  93           HA       GLN  93  10.046  -5.249  -9.621
  666   1HB   GLN  93          2HB       GLN  93   7.755  -5.840 -10.561
  667   2HB   GLN  93          1HB       GLN  93   8.925  -7.156 -10.478
  668   1HG   GLN  93          2HG       GLN  93   7.928  -7.967  -8.420
  669   2HG   GLN  93          1HG       GLN  93   6.817  -6.599  -8.380
  670   1HE2  GLN  93          1HE2      GLN  93   4.832  -6.892  -9.429
  671   2HE2  GLN  93          2HE2      GLN  93   4.494  -8.158 -10.508
  672    H    LEU  94           H        LEU  94   8.433  -5.188  -6.632
  673    HA   LEU  94           HA       LEU  94   6.675  -2.965  -7.271
  674   1HB   LEU  94          2HB       LEU  94   7.447  -4.012  -4.539
  675   2HB   LEU  94          1HB       LEU  94   6.091  -2.959  -4.927
  676    HG   LEU  94           HG       LEU  94   6.463  -5.831  -5.809
  677   1HD1  LEU  94          1HD1      LEU  94   5.700  -5.692  -3.526
  678   2HD1  LEU  94          2HD1      LEU  94   4.293  -6.078  -4.514
  679   3HD1  LEU  94          3HD1      LEU  94   4.540  -4.433  -3.930
  680   1HD2  LEU  94          1HD2      LEU  94   5.380  -4.878  -7.656
  681   2HD2  LEU  94          2HD2      LEU  94   4.530  -3.686  -6.675
  682   3HD2  LEU  94          3HD2      LEU  94   4.015  -5.374  -6.658
  683    H    LYS  95           H        LYS  95   9.390  -3.310  -4.937
  684    HA   LYS  95           HA       LYS  95   9.738  -0.653  -4.352
  685   1HB   LYS  95          2HB       LYS  95  12.102  -1.132  -3.907
  686   2HB   LYS  95          1HB       LYS  95  11.075  -2.431  -3.309
  687   1HG   LYS  95          2HG       LYS  95  11.569  -3.771  -5.291
  688   2HG   LYS  95          1HG       LYS  95  12.558  -2.471  -5.953
  689   1HD   LYS  95          2HD       LYS  95  13.929  -2.626  -3.798
  690   2HD   LYS  95          1HD       LYS  95  13.073  -4.137  -3.488
  691   1HE   LYS  95          2HE       LYS  95  13.844  -5.002  -5.685
  692   2HE   LYS  95          1HE       LYS  95  14.747  -3.508  -5.938
  693   1HZ   LYS  95          1HZ       LYS  95  15.450  -5.790  -4.402
  694   2HZ   LYS  95          2HZ       LYS  95  15.467  -4.393  -3.435
  695   3HZ   LYS  95          3HZ       LYS  95  16.407  -4.463  -4.849
  696    H    THR  96           H        THR  96  10.478  -2.304  -7.314
  697    HA   THR  96           HA       THR  96  12.068  -0.176  -8.436
  698    HB   THR  96           HB       THR  96  10.572  -2.268  -9.996
  699    HG1  THR  96           1HG      THR  96  13.118  -2.915  -9.383
  700   1HG2  THR  96          1HG2      THR  96  13.258  -0.931 -10.412
  701   2HG2  THR  96          2HG2      THR  96  11.761  -0.455 -11.214
  702   3HG2  THR  96          3HG2      THR  96  12.463  -2.042 -11.527
  703    H    THR  97           H        THR  97   8.696  -1.207  -8.554
  704    HA   THR  97           HA       THR  97   7.808   0.609 -10.528
  705    HB   THR  97           HB       THR  97   6.198  -0.536  -8.238
  706    HG1  THR  97           1HG      THR  97   6.101  -1.726 -10.704
  707   1HG2  THR  97          1HG2      THR  97   4.351  -0.338  -9.903
  708   2HG2  THR  97          2HG2      THR  97   5.469   0.473 -11.000
  709   3HG2  THR  97          3HG2      THR  97   5.044   1.223  -9.462
  710    H    ILE  98           H        ILE  98   7.759   0.799  -6.951
  711    HA   ILE  98           HA       ILE  98   6.564   3.354  -6.870
  712    HB   ILE  98           HB       ILE  98   6.941   3.338  -4.583
  713   1HG1  ILE  98          2HG1      ILE  98   9.534   1.849  -5.105
  714   2HG1  ILE  98          1HG1      ILE  98   9.389   3.535  -4.610
  715   1HG2  ILE  98          1HG2      ILE  98   7.541   0.427  -5.115
  716   2HG2  ILE  98          2HG2      ILE  98   5.960   1.129  -5.453
  717   3HG2  ILE  98          3HG2      ILE  98   6.589   1.127  -3.807
  718   1HD1  ILE  98          1HD1      ILE  98   8.712   1.056  -3.013
  719   2HD1  ILE  98          2HD1      ILE  98   8.139   2.658  -2.551
  720   3HD1  ILE  98          3HD1      ILE  98   9.870   2.324  -2.613
  721    H    ARG  99           H        ARG  99   9.788   2.250  -7.568
  722    HA   ARG  99           HA       ARG  99  11.046   4.755  -7.050
  723   1HB   ARG  99          2HB       ARG  99  11.888   2.198  -8.273
  724   2HB   ARG  99          1HB       ARG  99  12.654   3.597  -9.010
  725   1HG   ARG  99          2HG       ARG  99  12.655   2.913  -6.050
  726   2HG   ARG  99          1HG       ARG  99  14.020   2.767  -7.151
  727   1HD   ARG  99          2HD       ARG  99  13.295   5.414  -7.519
  728   2HD   ARG  99          1HD       ARG  99  12.945   5.179  -5.812
  729    HE   ARG  99           HE       ARG  99  15.521   5.422  -6.950
  730   1HH1  ARG  99          1HH2      ARG  99  13.724   3.533  -4.675
  731   2HH1  ARG  99          2HH2      ARG  99  15.100   3.157  -3.692
  732   1HH2  ARG  99          1HH1      ARG  99  17.328   4.932  -5.668
  733   2HH2  ARG  99          2HH1      ARG  99  17.141   3.949  -4.254
  734    H    ALA 100           H        ALA 100   9.136   3.522  -9.636
  735    HA   ALA 100           HA       ALA 100   9.946   5.447 -11.592
  736   1HB   ALA 100          1HB       ALA 100   7.251   4.078 -11.335
  737   2HB   ALA 100          2HB       ALA 100   8.653   3.342 -12.112
  738   3HB   ALA 100          3HB       ALA 100   7.937   4.805 -12.788
  739    H    TYR 101           H        TYR 101   7.542   5.273  -9.025
  740    HA   TYR 101           HA       TYR 101   6.424   7.874  -9.617
  741   1HB   TYR 101          2HB       TYR 101   4.758   6.849  -8.443
  742   2HB   TYR 101          1HB       TYR 101   5.860   5.632  -7.812
  743    HD1  TYR 101           1HD      TYR 101   5.135   9.292  -7.397
  744    HD2  TYR 101           2HD      TYR 101   6.169   5.585  -5.491
  745    HE1  TYR 101           1HE      TYR 101   5.076  10.412  -5.184
  746    HE2  TYR 101           2HE      TYR 101   6.102   6.702  -3.279
  747    HH   TYR 101           HH       TYR 101   6.321   8.969  -2.360
  748    H    ASN 102           H        ASN 102   8.486   6.535  -7.044
  749    HA   ASN 102           HA       ASN 102   9.012   8.906  -5.674
  750   1HB   ASN 102          2HB       ASN 102   9.643   6.425  -5.111
  751   2HB   ASN 102          1HB       ASN 102  11.128   6.781  -5.992
  752   1HD2  ASN 102          1HD2      ASN 102  11.519   9.465  -5.233
  753   2HD2  ASN 102          2HD2      ASN 102  11.811   9.527  -3.564
  754    H    GLN 103           H        GLN 103  10.646   7.469  -8.467
  755    HA   GLN 103           HA       GLN 103  12.647   9.551  -8.577
  756   1HB   GLN 103          2HB       GLN 103  13.010   7.169  -9.347
  757   2HB   GLN 103          1HB       GLN 103  11.953   7.543 -10.711
  758   1HG   GLN 103          2HG       GLN 103  13.466   9.080 -11.638
  759   2HG   GLN 103          1HG       GLN 103  14.325   9.308 -10.118
  760   1HE2  GLN 103          1HE2      GLN 103  13.453   6.267 -11.858
  761   2HE2  GLN 103          2HE2      GLN 103  15.050   5.705 -11.957
  762    H    LYS 104           H        LYS 104   9.591   8.797 -10.180
  763    HA   LYS 104           HA       LYS 104   9.634  10.401 -12.403
  764   1HB   LYS 104          2HB       LYS 104   7.585   9.315 -12.110
  765   2HB   LYS 104          1HB       LYS 104   7.444   9.810 -10.430
  766   1HG   LYS 104          2HG       LYS 104   6.652  11.950 -10.974
  767   2HG   LYS 104          1HG       LYS 104   7.388  11.919 -12.579
  768   1HD   LYS 104          2HD       LYS 104   5.729  10.354 -13.381
  769   2HD   LYS 104          1HD       LYS 104   5.079  10.135 -11.756
  770   1HE   LYS 104          2HE       LYS 104   4.371  12.477 -11.692
  771   2HE   LYS 104          1HE       LYS 104   5.082  12.756 -13.280
  772   1HZ   LYS 104          1HZ       LYS 104   2.666  12.347 -13.343
  773   2HZ   LYS 104          2HZ       LYS 104   2.932  10.786 -12.730
  774   3HZ   LYS 104          3HZ       LYS 104   3.549  11.220 -14.251
  775    H    TYR 105           H        TYR 105   9.023  11.421  -9.066
  776    HA   TYR 105           HA       TYR 105   9.347  14.244  -9.908
  777   1HB   TYR 105          2HB       TYR 105   7.781  12.882  -7.819
  778   2HB   TYR 105          1HB       TYR 105   8.650  14.286  -7.202
  779    HD1  TYR 105           1HD      TYR 105   5.625  13.308  -8.640
  780    HD2  TYR 105           2HD      TYR 105   8.622  16.362  -8.968
  781    HE1  TYR 105           1HE      TYR 105   3.987  14.790  -9.742
  782    HE2  TYR 105           2HE      TYR 105   6.973  17.860 -10.058
  783    HH   TYR 105           HH       TYR 105   4.745  17.391 -11.489
  784    H    GLY 106           H        GLY 106  10.866  11.691  -8.118
  785   1HA   GLY 106          2HA       GLY 106  12.834  11.585  -6.919
  786   2HA   GLY 106          1HA       GLY 106  13.388  12.822  -8.044
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1   5.673 -38.781   2.028
    2   2H    ALA   1          2HT       ALA   1   7.306 -38.479   1.669
    3   3H    ALA   1          3HT       ALA   1   6.839 -38.868   3.256
    4    HA   ALA   1           HA       ALA   1   6.075 -40.835   1.291
    5   1HB   ALA   1          1HB       ALA   1   8.367 -41.735   1.068
    6   2HB   ALA   1          2HB       ALA   1   8.997 -40.334   1.934
    7   3HB   ALA   1          3HB       ALA   1   8.242 -40.127   0.354
    8    H    ASP   2           H        ASP   2   6.496 -39.607   4.302
    9    HA   ASP   2           HA       ASP   2   7.075 -42.154   5.653
   10   1HB   ASP   2          2HB       ASP   2   6.608 -39.377   6.768
   11   2HB   ASP   2          1HB       ASP   2   7.083 -40.794   7.704
   12    H    LEU   3           H        LEU   3   5.540 -43.408   6.500
   13    HA   LEU   3           HA       LEU   3   2.960 -42.326   7.307
   14   1HB   LEU   3          2HB       LEU   3   1.715 -43.998   5.925
   15   2HB   LEU   3          1HB       LEU   3   2.477 -42.723   4.979
   16    HG   LEU   3           HG       LEU   3   4.131 -45.183   5.447
   17   1HD1  LEU   3          1HD1      LEU   3   1.647 -45.147   3.726
   18   2HD1  LEU   3          2HD1      LEU   3   2.113 -46.333   4.946
   19   3HD1  LEU   3          3HD1      LEU   3   2.991 -46.249   3.419
   20   1HD2  LEU   3          1HD2      LEU   3   4.849 -43.188   4.078
   21   2HD2  LEU   3          2HD2      LEU   3   3.567 -43.578   2.935
   22   3HD2  LEU   3          3HD2      LEU   3   4.891 -44.714   3.196
   23    H    GLU   4           H        GLU   4   4.985 -43.428   8.852
   24    HA   GLU   4           HA       GLU   4   3.576 -45.657  10.045
   25   1HB   GLU   4          2HB       GLU   4   5.648 -46.195   8.177
   26   2HB   GLU   4          1HB       GLU   4   6.353 -46.509   9.758
   27   1HG   GLU   4          2HG       GLU   4   3.754 -47.680   8.713
   28   2HG   GLU   4          1HG       GLU   4   5.289 -48.537   8.844
   29    H    ASP   5           H        ASP   5   5.984 -43.189  10.048
   30    HA   ASP   5           HA       ASP   5   6.971 -43.737  12.707
   31   1HB   ASP   5          2HB       ASP   5   8.104 -41.547  12.464
   32   2HB   ASP   5          1HB       ASP   5   8.417 -42.613  11.097
   33    H    ASN   6           H        ASN   6   6.873 -41.867  14.343
   34    HA   ASN   6           HA       ASN   6   4.453 -40.277  14.319
   35   1HB   ASN   6          2HB       ASN   6   4.756 -42.598  16.236
   36   2HB   ASN   6          1HB       ASN   6   3.575 -41.302  16.424
   37   1HD2  ASN   6          1HD2      ASN   6   4.513 -44.017  14.303
   38   2HD2  ASN   6          2HD2      ASN   6   3.005 -44.144  13.534
   39    H    ASP   7           H        ASP   7   6.090 -41.646  17.127
   40    HA   ASP   7           HA       ASP   7   6.543 -39.122  18.324
   41   1HB   ASP   7          2HB       ASP   7   7.886 -41.775  18.894
   42   2HB   ASP   7          1HB       ASP   7   7.887 -40.369  19.956
   43    H    GLU   8           H        GLU   8   7.688 -37.743  17.002
   44    HA   GLU   8           HA       GLU   8  10.091 -38.476  15.649
   45   1HB   GLU   8          2HB       GLU   8   8.942 -35.772  16.373
   46   2HB   GLU   8          1HB       GLU   8  10.349 -36.010  15.335
   47   1HG   GLU   8          2HG       GLU   8   8.979 -37.369  13.792
   48   2HG   GLU   8          1HG       GLU   8   7.573 -37.121  14.826
   49    H    THR   9           H        THR   9  10.072 -35.728  17.831
   50    HA   THR   9           HA       THR   9  11.869 -36.959  19.738
   51    HB   THR   9           HB       THR   9  12.955 -34.656  18.116
   52    HG1  THR   9           1HG      THR   9  13.985 -36.104  16.867
   53   1HG2  THR   9          1HG2      THR   9  13.890 -35.003  20.367
   54   2HG2  THR   9          2HG2      THR   9  15.079 -35.398  19.126
   55   3HG2  THR   9          3HG2      THR   9  14.224 -36.689  19.970
   56    H    GLY  10           H        GLY  10  10.975 -33.755  18.433
   57   1HA   GLY  10          2HA       GLY  10   9.538 -33.003  20.783
   58   2HA   GLY  10          1HA       GLY  10  11.140 -32.270  20.763
   59    H    ASN  11           H        ASN  11   9.436 -32.964  17.800
   60    HA   ASN  11           HA       ASN  11   9.534 -30.183  17.028
   61   1HB   ASN  11          2HB       ASN  11   8.343 -32.588  15.627
   62   2HB   ASN  11          1HB       ASN  11   8.555 -30.993  14.911
   63   1HD2  ASN  11          1HD2      ASN  11   9.857 -33.499  14.012
   64   2HD2  ASN  11          2HD2      ASN  11  11.527 -33.244  14.165
   65    H    ASP  12           H        ASP  12   8.088 -29.751  19.037
   66    HA   ASP  12           HA       ASP  12   5.322 -30.373  18.926
   67   1HB   ASP  12          2HB       ASP  12   6.734 -28.073  20.297
   68   2HB   ASP  12          1HB       ASP  12   5.074 -28.583  20.603
   69    H    ASN  13           H        ASN  13   3.628 -28.592  18.789
   70    HA   ASN  13           HA       ASN  13   4.244 -26.519  16.796
   71   1HB   ASN  13          2HB       ASN  13   2.191 -28.710  16.435
   72   2HB   ASN  13          1HB       ASN  13   2.185 -27.213  15.503
   73   1HD2  ASN  13          1HD2      ASN  13   4.613 -29.716  16.461
   74   2HD2  ASN  13          2HD2      ASN  13   5.343 -29.787  14.932
   75    H    GLY  14           H        GLY  14   1.551 -28.042  18.589
   76   1HA   GLY  14          2HA       GLY  14  -0.161 -27.129  19.824
   77   2HA   GLY  14          1HA       GLY  14   0.980 -25.851  20.230
   78    H    LYS  15           H        LYS  15  -0.972 -26.907  17.429
   79    HA   LYS  15           HA       LYS  15  -1.241 -24.184  16.477
   80   1HB   LYS  15          2HB       LYS  15  -2.514 -26.768  15.542
   81   2HB   LYS  15          1HB       LYS  15  -2.625 -25.218  14.703
   82   1HG   LYS  15          2HG       LYS  15  -0.107 -25.175  14.618
   83   2HG   LYS  15          1HG       LYS  15  -0.111 -26.819  15.249
   84   1HD   LYS  15          2HD       LYS  15  -1.574 -25.980  12.730
   85   2HD   LYS  15          1HD       LYS  15   0.043 -26.681  12.732
   86   1HE   LYS  15          2HE       LYS  15  -1.018 -28.617  14.096
   87   2HE   LYS  15          1HE       LYS  15  -2.562 -27.969  13.544
   88   1HZ   LYS  15          1HZ       LYS  15  -2.234 -28.765  11.511
   89   2HZ   LYS  15          2HZ       LYS  15  -0.969 -29.689  12.169
   90   3HZ   LYS  15          3HZ       LYS  15  -0.640 -28.192  11.437
   91    H    GLY  16           H        GLY  16  -4.130 -25.651  15.846
   92   1HA   GLY  16          2HA       GLY  16  -6.280 -25.411  16.635
   93   2HA   GLY  16          1HA       GLY  16  -5.594 -25.209  18.243
   94    H    GLY  17           H        GLY  17  -4.259 -22.985  18.313
   95   1HA   GLY  17          2HA       GLY  17  -6.189 -20.922  18.229
   96   2HA   GLY  17          1HA       GLY  17  -4.463 -20.700  18.498
   97    H    GLU  18           H        GLU  18  -3.614 -21.869  16.009
   98    HA   GLU  18           HA       GLU  18  -3.081 -21.176  13.883
   99   1HB   GLU  18          2HB       GLU  18  -5.984 -20.312  13.845
  100   2HB   GLU  18          1HB       GLU  18  -4.955 -20.568  12.435
  101   1HG   GLU  18          2HG       GLU  18  -4.675 -22.935  13.059
  102   2HG   GLU  18          1HG       GLU  18  -5.692 -22.685  14.477
  103    H    LYS  19           H        LYS  19  -2.976 -19.237  12.416
  104    HA   LYS  19           HA       LYS  19  -3.584 -16.639  13.417
  105   1HB   LYS  19          2HB       LYS  19  -1.364 -15.859  13.962
  106   2HB   LYS  19          1HB       LYS  19  -1.706 -17.278  14.948
  107   1HG   LYS  19          2HG       LYS  19  -0.556 -18.632  13.060
  108   2HG   LYS  19          1HG       LYS  19   0.056 -17.075  12.502
  109   1HD   LYS  19          2HD       LYS  19   1.791 -17.715  13.918
  110   2HD   LYS  19          1HD       LYS  19   0.790 -16.805  15.047
  111   1HE   LYS  19          2HE       LYS  19   1.329 -18.859  16.150
  112   2HE   LYS  19          1HE       LYS  19  -0.343 -19.028  15.622
  113   1HZ   LYS  19          1HZ       LYS  19   0.280 -20.837  14.537
  114   2HZ   LYS  19          2HZ       LYS  19   1.918 -20.565  14.895
  115   3HZ   LYS  19          3HZ       LYS  19   1.223 -19.871  13.509
  116    H    ALA  20           H        ALA  20  -1.722 -15.097  12.175
  117    HA   ALA  20           HA       ALA  20  -2.354 -15.537   9.397
  118   1HB   ALA  20          1HB       ALA  20  -2.360 -13.269  10.346
  119   2HB   ALA  20          2HB       ALA  20  -1.189 -13.400   9.033
  120   3HB   ALA  20          3HB       ALA  20  -0.641 -13.415  10.709
  121    H    ASP  21           H        ASP  21  -0.963 -16.184   7.758
  122    HA   ASP  21           HA       ASP  21   1.883 -16.416   8.235
  123   1HB   ASP  21          2HB       ASP  21   1.966 -18.857   7.898
  124   2HB   ASP  21          1HB       ASP  21   1.096 -18.428   9.371
  125    H    ASN  22           H        ASN  22  -0.906 -17.160   6.163
  126    HA   ASN  22           HA       ASN  22   0.866 -17.029   3.787
  127   1HB   ASN  22          2HB       ASN  22  -0.383 -19.132   4.046
  128   2HB   ASN  22          1HB       ASN  22  -1.892 -18.245   4.115
  129   1HD2  ASN  22          1HD2      ASN  22  -2.821 -18.970   2.142
  130   2HD2  ASN  22          2HD2      ASN  22  -2.115 -18.690   0.625
  131    H    ALA  23           H        ALA  23  -2.312 -16.910   3.012
  132    HA   ALA  23           HA       ALA  23  -2.260 -14.380   1.805
  133   1HB   ALA  23          1HB       ALA  23  -3.820 -15.979   1.017
  134   2HB   ALA  23          2HB       ALA  23  -4.800 -14.720   1.772
  135   3HB   ALA  23          3HB       ALA  23  -4.486 -16.231   2.631
  136    H    ALA  24           H        ALA  24  -3.101 -15.337   5.060
  137    HA   ALA  24           HA       ALA  24  -4.588 -13.020   5.766
  138   1HB   ALA  24          1HB       ALA  24  -4.893 -14.779   7.259
  139   2HB   ALA  24          2HB       ALA  24  -3.748 -13.777   8.151
  140   3HB   ALA  24          3HB       ALA  24  -3.182 -15.196   7.268
  141    H    GLN  25           H        GLN  25  -1.221 -13.928   6.562
  142    HA   GLN  25           HA       GLN  25  -0.427 -11.522   7.699
  143   1HB   GLN  25          2HB       GLN  25   0.913 -13.508   7.852
  144   2HB   GLN  25          1HB       GLN  25   1.107 -13.568   6.097
  145   1HG   GLN  25          2HG       GLN  25   2.569 -11.734   6.064
  146   2HG   GLN  25          1HG       GLN  25   2.011 -11.132   7.623
  147   1HE2  GLN  25          1HE2      GLN  25   2.821 -14.577   7.149
  148   2HE2  GLN  25          2HE2      GLN  25   4.215 -14.540   8.114
  149    H    VAL  26           H        VAL  26  -0.939 -12.375   4.369
  150    HA   VAL  26           HA       VAL  26   0.559 -10.239   3.194
  151    HB   VAL  26           HB       VAL  26  -1.496 -12.215   2.256
  152   1HG1  VAL  26          1HG1      VAL  26  -2.361 -10.297   1.137
  153   2HG1  VAL  26          2HG1      VAL  26  -1.334 -11.111  -0.045
  154   3HG1  VAL  26          3HG1      VAL  26  -0.744  -9.677   0.797
  155   1HG2  VAL  26          1HG2      VAL  26   0.898 -12.790   2.258
  156   2HG2  VAL  26          2HG2      VAL  26   1.236 -11.391   1.238
  157   3HG2  VAL  26          3HG2      VAL  26   0.264 -12.723   0.614
  158    H    LYS  27           H        LYS  27  -2.977 -10.720   3.396
  159    HA   LYS  27           HA       LYS  27  -3.956  -8.339   2.617
  160   1HB   LYS  27          2HB       LYS  27  -4.793  -9.997   4.990
  161   2HB   LYS  27          1HB       LYS  27  -5.718  -8.604   4.435
  162   1HG   LYS  27          2HG       LYS  27  -5.687  -9.745   2.110
  163   2HG   LYS  27          1HG       LYS  27  -5.175 -11.192   2.976
  164   1HD   LYS  27          2HD       LYS  27  -7.682  -9.599   3.586
  165   2HD   LYS  27          1HD       LYS  27  -7.639 -11.109   2.676
  166   1HE   LYS  27          2HE       LYS  27  -6.478 -12.131   4.716
  167   2HE   LYS  27          1HE       LYS  27  -6.953 -10.673   5.587
  168   1HZ   LYS  27          1HZ       LYS  27  -8.522 -12.653   5.667
  169   2HZ   LYS  27          2HZ       LYS  27  -8.914 -12.268   4.060
  170   3HZ   LYS  27          3HZ       LYS  27  -9.200 -11.142   5.300
  171    H    ASP  28           H        ASP  28  -2.720  -8.972   5.893
  172    HA   ASP  28           HA       ASP  28  -3.146  -6.401   6.942
  173   1HB   ASP  28          2HB       ASP  28  -2.573  -8.353   8.332
  174   2HB   ASP  28          1HB       ASP  28  -0.958  -8.379   7.627
  175    H    ALA  29           H        ALA  29  -0.432  -7.779   5.142
  176    HA   ALA  29           HA       ALA  29   1.226  -5.453   5.376
  177   1HB   ALA  29          1HB       ALA  29   2.631  -6.567   3.693
  178   2HB   ALA  29          2HB       ALA  29   1.362  -7.764   3.427
  179   3HB   ALA  29          3HB       ALA  29   2.183  -7.679   4.987
  180    H    LEU  30           H        LEU  30  -1.468  -6.254   3.414
  181    HA   LEU  30           HA       LEU  30  -0.760  -4.740   1.116
  182   1HB   LEU  30          2HB       LEU  30  -2.879  -6.447   1.921
  183   2HB   LEU  30          1HB       LEU  30  -3.649  -4.918   1.570
  184    HG   LEU  30           HG       LEU  30  -1.945  -5.220  -0.614
  185   1HD1  LEU  30          1HD1      LEU  30  -1.319  -7.492  -0.049
  186   2HD1  LEU  30          2HD1      LEU  30  -2.407  -7.540  -1.437
  187   3HD1  LEU  30          3HD1      LEU  30  -3.010  -7.946   0.165
  188   1HD2  LEU  30          1HD2      LEU  30  -3.955  -5.690  -1.892
  189   2HD2  LEU  30          2HD2      LEU  30  -4.351  -4.541  -0.617
  190   3HD2  LEU  30          3HD2      LEU  30  -4.792  -6.239  -0.439
  191    H    THR  31           H        THR  31  -3.104  -4.114   3.720
  192    HA   THR  31           HA       THR  31  -3.534  -1.413   3.035
  193    HB   THR  31           HB       THR  31  -5.107  -2.629   4.416
  194    HG1  THR  31           1HG      THR  31  -4.846  -0.348   4.716
  195   1HG2  THR  31          1HG2      THR  31  -3.326  -4.013   5.548
  196   2HG2  THR  31          2HG2      THR  31  -4.557  -3.378   6.644
  197   3HG2  THR  31          3HG2      THR  31  -2.971  -2.607   6.556
  198    H    LYS  32           H        LYS  32  -1.061  -3.026   4.843
  199    HA   LYS  32           HA       LYS  32  -0.076  -1.031   6.488
  200   1HB   LYS  32          2HB       LYS  32   0.822  -3.359   6.350
  201   2HB   LYS  32          1HB       LYS  32   1.589  -2.937   4.821
  202   1HG   LYS  32          2HG       LYS  32   3.259  -2.707   6.531
  203   2HG   LYS  32          1HG       LYS  32   2.808  -1.084   6.026
  204   1HD   LYS  32          2HD       LYS  32   1.103  -2.021   8.240
  205   2HD   LYS  32          1HD       LYS  32   2.805  -2.077   8.676
  206   1HE   LYS  32          2HE       LYS  32   3.099   0.256   8.215
  207   2HE   LYS  32          1HE       LYS  32   1.521   0.371   7.437
  208   1HZ   LYS  32          1HZ       LYS  32   2.024  -0.221  10.304
  209   2HZ   LYS  32          2HZ       LYS  32   0.493  -0.186   9.569
  210   3HZ   LYS  32          3HZ       LYS  32   1.421   1.234   9.674
  211    H    MET  33           H        MET  33   0.990  -1.727   3.157
  212    HA   MET  33           HA       MET  33   2.502   0.634   2.827
  213   1HB   MET  33          2HB       MET  33   1.129  -1.166   0.819
  214   2HB   MET  33          1HB       MET  33   2.186   0.171   0.362
  215   1HG   MET  33          2HG       MET  33   4.056  -0.824   1.531
  216   2HG   MET  33          1HG       MET  33   3.019  -2.079   2.211
  217   1HE   MET  33          1HE       MET  33   3.705  -4.852  -0.048
  218   2HE   MET  33          2HE       MET  33   2.576  -4.276   1.176
  219   3HE   MET  33          3HE       MET  33   4.309  -4.092   1.431
  220    H    ARG  34           H        ARG  34  -0.729  -0.158   1.513
  221    HA   ARG  34           HA       ARG  34  -1.583   2.134   0.411
  222   1HB   ARG  34          2HB       ARG  34  -2.915  -0.013   0.980
  223   2HB   ARG  34          1HB       ARG  34  -3.321   0.807   2.481
  224   1HG   ARG  34          2HG       ARG  34  -4.332   2.652   1.278
  225   2HG   ARG  34          1HG       ARG  34  -3.810   1.983  -0.272
  226   1HD   ARG  34          2HD       ARG  34  -5.378   0.250  -0.196
  227   2HD   ARG  34          1HD       ARG  34  -5.502   0.286   1.564
  228    HE   ARG  34           HE       ARG  34  -7.214   1.816   1.314
  229   1HH1  ARG  34          1HH2      ARG  34  -5.178   1.829  -1.486
  230   2HH1  ARG  34          2HH2      ARG  34  -6.151   2.966  -2.357
  231   1HH2  ARG  34          1HH1      ARG  34  -8.495   3.306   0.176
  232   2HH2  ARG  34          2HH1      ARG  34  -8.028   3.803  -1.417
  233    H    ALA  35           H        ALA  35  -2.218   1.559   3.881
  234    HA   ALA  35           HA       ALA  35  -2.994   4.142   4.539
  235   1HB   ALA  35          1HB       ALA  35  -2.489   3.544   6.855
  236   2HB   ALA  35          2HB       ALA  35  -1.513   2.181   6.306
  237   3HB   ALA  35          3HB       ALA  35  -3.255   2.188   6.027
  238    H    ALA  36           H        ALA  36   0.201   2.860   4.029
  239    HA   ALA  36           HA       ALA  36   1.600   5.002   5.334
  240   1HB   ALA  36          1HB       ALA  36   2.452   2.604   4.729
  241   2HB   ALA  36          2HB       ALA  36   3.567   3.964   4.614
  242   3HB   ALA  36          3HB       ALA  36   2.818   3.315   3.157
  243    H    ALA  37           H        ALA  37   0.676   4.229   2.008
  244    HA   ALA  37           HA       ALA  37   1.946   6.446   0.785
  245   1HB   ALA  37          1HB       ALA  37   1.145   4.498  -0.497
  246   2HB   ALA  37          2HB       ALA  37   0.443   5.995  -1.110
  247   3HB   ALA  37          3HB       ALA  37  -0.520   4.920  -0.097
  248    H    LEU  38           H        LEU  38  -1.375   5.916   1.965
  249    HA   LEU  38           HA       LEU  38  -2.304   8.539   1.296
  250   1HB   LEU  38          2HB       LEU  38  -3.304   6.313   3.052
  251   2HB   LEU  38          1HB       LEU  38  -4.002   7.914   3.272
  252    HG   LEU  38           HG       LEU  38  -4.544   7.993   0.847
  253   1HD1  LEU  38          1HD1      LEU  38  -2.774   6.458   0.059
  254   2HD1  LEU  38          2HD1      LEU  38  -4.366   5.925  -0.479
  255   3HD1  LEU  38          3HD1      LEU  38  -3.578   5.116   0.874
  256   1HD2  LEU  38          1HD2      LEU  38  -6.195   7.167   2.499
  257   2HD2  LEU  38          2HD2      LEU  38  -5.579   5.528   2.284
  258   3HD2  LEU  38          3HD2      LEU  38  -6.378   6.353   0.945
  259    H    ASP  39           H        ASP  39  -1.206   7.122   4.364
  260    HA   ASP  39           HA       ASP  39  -1.409   9.335   6.006
  261   1HB   ASP  39          2HB       ASP  39  -0.829   7.164   6.888
  262   2HB   ASP  39          1HB       ASP  39   0.676   7.144   5.973
  263    H    ALA  40           H        ALA  40   1.522   8.326   4.223
  264    HA   ALA  40           HA       ALA  40   3.070  10.569   4.847
  265   1HB   ALA  40          1HB       ALA  40   3.278   9.085   2.236
  266   2HB   ALA  40          2HB       ALA  40   3.786   8.362   3.762
  267   3HB   ALA  40          3HB       ALA  40   4.566   9.832   3.181
  268    H    GLN  41           H        GLN  41   0.854  10.040   2.134
  269    HA   GLN  41           HA       GLN  41   1.454  12.172   0.530
  270   1HB   GLN  41          2HB       GLN  41  -0.202  10.963  -0.491
  271   2HB   GLN  41          1HB       GLN  41  -0.950  10.535   1.040
  272   1HG   GLN  41          2HG       GLN  41  -1.319  13.410   0.302
  273   2HG   GLN  41          1HG       GLN  41  -2.028  12.291  -0.799
  274   1HE2  GLN  41          1HE2      GLN  41  -1.732  11.958   2.750
  275   2HE2  GLN  41          2HE2      GLN  41  -3.401  11.844   3.011
  276    H    LYS  42           H        LYS  42  -0.667  12.300   3.430
  277    HA   LYS  42           HA       LYS  42  -0.037  15.159   3.591
  278   1HB   LYS  42          2HB       LYS  42  -2.273  14.438   2.234
  279   2HB   LYS  42          1HB       LYS  42  -2.945  14.540   3.853
  280   1HG   LYS  42          2HG       LYS  42  -3.203  16.748   3.164
  281   2HG   LYS  42          1HG       LYS  42  -1.610  16.833   3.908
  282   1HD   LYS  42          2HD       LYS  42  -1.185  17.867   1.856
  283   2HD   LYS  42          1HD       LYS  42  -0.757  16.199   1.482
  284   1HE   LYS  42          2HE       LYS  42  -2.197  17.196  -0.273
  285   2HE   LYS  42          1HE       LYS  42  -2.977  15.820   0.505
  286   1HZ   LYS  42          1HZ       LYS  42  -4.312  17.969   0.180
  287   2HZ   LYS  42          2HZ       LYS  42  -3.418  18.563   1.498
  288   3HZ   LYS  42          3HZ       LYS  42  -4.401  17.190   1.684
  289    H    ALA  43           H        ALA  43   0.629  12.911   5.266
  290    HA   ALA  43           HA       ALA  43  -0.585  13.909   7.786
  291   1HB   ALA  43          1HB       ALA  43  -1.173  11.830   8.577
  292   2HB   ALA  43          2HB       ALA  43   0.094  11.002   7.675
  293   3HB   ALA  43          3HB       ALA  43  -1.376  11.521   6.854
  294    H    THR  44           H        THR  44   2.033  11.817   6.517
  295    HA   THR  44           HA       THR  44   3.814  12.861   8.636
  296    HB   THR  44           HB       THR  44   4.054  10.365   6.950
  297    HG1  THR  44           1HG      THR  44   2.532  10.870   9.000
  298   1HG2  THR  44          1HG2      THR  44   6.244  11.002   7.559
  299   2HG2  THR  44          2HG2      THR  44   5.763   9.853   8.808
  300   3HG2  THR  44          3HG2      THR  44   5.726  11.584   9.142
  301    HA   PRO  45           HA       PRO  45   5.014  15.253   4.742
  302   1HB   PRO  45          2HB       PRO  45   6.661  16.256   7.054
  303   2HB   PRO  45          1HB       PRO  45   6.034  17.156   5.656
  304   1HG   PRO  45          2HG       PRO  45   4.769  17.241   7.987
  305   2HG   PRO  45          1HG       PRO  45   3.865  17.165   6.464
  306   1HD   PRO  45          2HD       PRO  45   4.192  15.072   8.540
  307   2HD   PRO  45          1HD       PRO  45   2.925  15.235   7.306
  308    HA   PRO  46           HA       PRO  46   8.617  12.388   4.727
  309   1HB   PRO  46          2HB       PRO  46   8.271  11.299   2.310
  310   2HB   PRO  46          1HB       PRO  46   7.178  10.889   3.646
  311   1HG   PRO  46          2HG       PRO  46   6.742  12.774   1.370
  312   2HG   PRO  46          1HG       PRO  46   5.624  11.613   2.089
  313   1HD   PRO  46          2HD       PRO  46   5.696  14.346   2.705
  314   2HD   PRO  46          1HD       PRO  46   4.945  13.098   3.723
  315    H    LYS  47           H        LYS  47   8.521  12.795   1.345
  316    HA   LYS  47           HA       LYS  47  10.999  14.302   1.348
  317   1HB   LYS  47          2HB       LYS  47   9.377  12.770  -0.641
  318   2HB   LYS  47          1HB       LYS  47  10.421  14.036  -1.280
  319   1HG   LYS  47          2HG       LYS  47  11.584  11.867  -1.228
  320   2HG   LYS  47          1HG       LYS  47  12.360  13.023  -0.149
  321   1HD   LYS  47          2HD       LYS  47  11.177  12.023   1.775
  322   2HD   LYS  47          1HD       LYS  47  10.392  10.873   0.691
  323   1HE   LYS  47          2HE       LYS  47  12.491   9.864   0.115
  324   2HE   LYS  47          1HE       LYS  47  13.397  11.144   0.916
  325   1HZ   LYS  47          1HZ       LYS  47  11.819   8.963   2.113
  326   2HZ   LYS  47          2HZ       LYS  47  12.088  10.399   2.982
  327   3HZ   LYS  47          3HZ       LYS  47  13.404   9.455   2.467
  328    H    LEU  48           H        LEU  48   7.677  15.052   1.240
  329    HA   LEU  48           HA       LEU  48   7.924  17.394  -0.442
  330   1HB   LEU  48          2HB       LEU  48   5.681  16.973   1.523
  331   2HB   LEU  48          1HB       LEU  48   5.643  17.758  -0.058
  332    HG   LEU  48           HG       LEU  48   6.043  14.792   0.444
  333   1HD1  LEU  48          1HD1      LEU  48   3.727  16.328  -0.767
  334   2HD1  LEU  48          2HD1      LEU  48   3.733  15.582   0.831
  335   3HD1  LEU  48          3HD1      LEU  48   3.831  14.575  -0.613
  336   1HD2  LEU  48          1HD2      LEU  48   5.684  14.764  -2.110
  337   2HD2  LEU  48          2HD2      LEU  48   7.256  15.311  -1.530
  338   3HD2  LEU  48          3HD2      LEU  48   6.052  16.488  -2.055
  339    H    GLU  49           H        GLU  49   9.636  17.041   2.044
  340    HA   GLU  49           HA       GLU  49   8.953  18.816   4.062
  341   1HB   GLU  49          2HB       GLU  49  11.312  19.021   4.524
  342   2HB   GLU  49          1HB       GLU  49  11.013  17.367   3.990
  343   1HG   GLU  49          2HG       GLU  49  11.625  18.154   1.640
  344   2HG   GLU  49          1HG       GLU  49  12.205  19.640   2.390
  345    H    ASP  50           H        ASP  50   9.783  19.401   0.769
  346    HA   ASP  50           HA       ASP  50   9.112  22.202   1.006
  347   1HB   ASP  50          2HB       ASP  50  11.520  22.159   1.639
  348   2HB   ASP  50          1HB       ASP  50  11.887  21.442   0.072
  349    H    LYS  51           H        LYS  51   7.795  20.213  -0.371
  350    HA   LYS  51           HA       LYS  51   8.187  21.068  -3.162
  351   1HB   LYS  51          2HB       LYS  51   7.619  18.159  -2.611
  352   2HB   LYS  51          1HB       LYS  51   8.240  18.913  -4.072
  353   1HG   LYS  51          2HG       LYS  51  10.390  19.289  -3.051
  354   2HG   LYS  51          1HG       LYS  51   9.792  18.790  -1.473
  355   1HD   LYS  51          2HD       LYS  51  11.060  16.969  -2.523
  356   2HD   LYS  51          1HD       LYS  51   9.365  16.528  -2.338
  357   1HE   LYS  51          2HE       LYS  51   8.925  16.753  -4.634
  358   2HE   LYS  51          1HE       LYS  51  10.338  17.770  -4.906
  359   1HZ   LYS  51          1HZ       LYS  51  10.132  14.882  -4.759
  360   2HZ   LYS  51          2HZ       LYS  51  11.483  15.557  -3.978
  361   3HZ   LYS  51          3HZ       LYS  51  11.218  15.852  -5.630
  362    H    SER  52           H        SER  52   6.270  22.047  -1.465
  363    HA   SER  52           HA       SER  52   3.869  20.738  -1.227
  364   1HB   SER  52          2HB       SER  52   4.752  23.317  -0.812
  365   2HB   SER  52          1HB       SER  52   3.553  23.548  -2.078
  366    HG   SER  52           HG       SER  52   3.050  23.316   0.414
  367    HA   PRO  53           HA       PRO  53   1.893  20.278  -5.138
  368   1HB   PRO  53          2HB       PRO  53  -0.123  22.436  -4.725
  369   2HB   PRO  53          1HB       PRO  53  -0.372  20.698  -4.988
  370   1HG   PRO  53          2HG       PRO  53  -0.745  21.817  -2.588
  371   2HG   PRO  53          1HG       PRO  53  -0.073  20.184  -2.758
  372   1HD   PRO  53          2HD       PRO  53   1.355  22.755  -2.137
  373   2HD   PRO  53          1HD       PRO  53   1.628  21.122  -1.486
  374    H    ASP  54           H        ASP  54   4.057  22.186  -5.103
  375    HA   ASP  54           HA       ASP  54   3.270  24.205  -7.122
  376   1HB   ASP  54          2HB       ASP  54   5.602  25.105  -6.586
  377   2HB   ASP  54          1HB       ASP  54   4.385  25.239  -5.319
  378    H    SER  55           H        SER  55   6.176  22.295  -6.403
  379    HA   SER  55           HA       SER  55   7.101  22.195  -9.092
  380   1HB   SER  55          2HB       SER  55   8.051  20.036  -7.347
  381   2HB   SER  55          1HB       SER  55   8.955  21.402  -8.006
  382    HG   SER  55           HG       SER  55   7.209  21.468  -5.766
  383    HA   PRO  56           HA       PRO  56   4.867  18.673 -10.655
  384   1HB   PRO  56          2HB       PRO  56   6.690  16.657 -11.225
  385   2HB   PRO  56          1HB       PRO  56   6.412  18.069 -12.259
  386   1HG   PRO  56          2HG       PRO  56   8.588  17.571 -10.284
  387   2HG   PRO  56          1HG       PRO  56   8.663  18.358 -11.870
  388   1HD   PRO  56          2HD       PRO  56   8.661  19.771  -9.563
  389   2HD   PRO  56          1HD       PRO  56   7.925  20.407 -11.042
  390    H    GLU  57           H        GLU  57   5.091  18.906  -7.840
  391    HA   GLU  57           HA       GLU  57   5.640  16.453  -6.536
  392   1HB   GLU  57          2HB       GLU  57   5.595  18.410  -5.172
  393   2HB   GLU  57          1HB       GLU  57   4.030  18.906  -5.801
  394   1HG   GLU  57          2HG       GLU  57   4.003  17.871  -3.462
  395   2HG   GLU  57          1HG       GLU  57   2.890  17.163  -4.625
  396    H    MET  58           H        MET  58   2.506  18.038  -7.103
  397    HA   MET  58           HA       MET  58   0.763  16.017  -6.519
  398   1HB   MET  58          2HB       MET  58   0.501  17.770  -8.970
  399   2HB   MET  58          1HB       MET  58  -0.794  17.015  -8.043
  400   1HG   MET  58          2HG       MET  58  -0.224  18.377  -6.081
  401   2HG   MET  58          1HG       MET  58   1.120  19.115  -6.956
  402   1HE   MET  58          1HE       MET  58  -2.637  18.372  -8.564
  403   2HE   MET  58          2HE       MET  58  -3.359  19.590  -7.515
  404   3HE   MET  58          3HE       MET  58  -2.449  18.258  -6.809
  405    H    LYS  59           H        LYS  59   2.593  16.437  -9.527
  406    HA   LYS  59           HA       LYS  59   1.502  14.285 -10.968
  407   1HB   LYS  59          2HB       LYS  59   4.303  15.437 -11.019
  408   2HB   LYS  59          1HB       LYS  59   3.686  14.291 -12.202
  409   1HG   LYS  59          2HG       LYS  59   2.112  16.808 -11.672
  410   2HG   LYS  59          1HG       LYS  59   3.561  16.908 -12.668
  411   1HD   LYS  59          2HD       LYS  59   2.657  15.151 -14.155
  412   2HD   LYS  59          1HD       LYS  59   1.207  15.053 -13.156
  413   1HE   LYS  59          2HE       LYS  59   0.590  16.498 -14.929
  414   2HE   LYS  59          1HE       LYS  59   0.960  17.589 -13.594
  415   1HZ   LYS  59          1HZ       LYS  59   3.200  17.848 -14.500
  416   2HZ   LYS  59          2HZ       LYS  59   2.014  18.343 -15.613
  417   3HZ   LYS  59          3HZ       LYS  59   2.795  16.846 -15.808
  418    H    ASP  60           H        ASP  60   4.113  14.453  -8.607
  419    HA   ASP  60           HA       ASP  60   4.780  11.658  -8.801
  420   1HB   ASP  60          2HB       ASP  60   6.429  13.374  -8.163
  421   2HB   ASP  60          1HB       ASP  60   5.520  13.690  -6.685
  422    H    PHE  61           H        PHE  61   2.996  13.684  -6.450
  423    HA   PHE  61           HA       PHE  61   2.399  11.529  -4.692
  424   1HB   PHE  61          2HB       PHE  61   2.004  13.548  -3.592
  425   2HB   PHE  61          1HB       PHE  61   1.367  14.331  -5.036
  426    HD1  PHE  61           1HD      PHE  61  -0.756  15.132  -4.310
  427    HD2  PHE  61           2HD      PHE  61   0.331  11.057  -3.554
  428    HE1  PHE  61           1HE      PHE  61  -3.084  14.647  -3.645
  429    HE2  PHE  61           2HE      PHE  61  -2.005  10.563  -2.885
  430    HZ   PHE  61           HZ       PHE  61  -3.712  12.363  -2.928
  431    H    ARG  62           H        ARG  62   0.136  13.328  -6.755
  432    HA   ARG  62           HA       ARG  62  -2.008  11.714  -6.805
  433   1HB   ARG  62          2HB       ARG  62  -0.840  12.890  -9.339
  434   2HB   ARG  62          1HB       ARG  62  -2.529  12.489  -9.045
  435   1HG   ARG  62          2HG       ARG  62  -1.149  14.422  -7.186
  436   2HG   ARG  62          1HG       ARG  62  -1.697  14.984  -8.760
  437   1HD   ARG  62          2HD       ARG  62  -3.523  13.476  -6.896
  438   2HD   ARG  62          1HD       ARG  62  -3.298  15.218  -6.769
  439    HE   ARG  62           HE       ARG  62  -3.883  14.794  -9.421
  440   1HH1  ARG  62          1HH2      ARG  62  -5.343  14.010  -6.382
  441   2HH1  ARG  62          2HH2      ARG  62  -6.962  14.048  -6.994
  442   1HH2  ARG  62          1HH1      ARG  62  -6.003  14.845 -10.229
  443   2HH2  ARG  62          2HH1      ARG  62  -7.336  14.520  -9.172
  444    H    HIS  63           H        HIS  63   0.892  11.164  -8.827
  445    HA   HIS  63           HA       HIS  63  -0.198   8.654  -9.776
  446   1HB   HIS  63          2HB       HIS  63   1.429  10.183 -11.036
  447   2HB   HIS  63          1HB       HIS  63   2.688   9.515 -10.001
  448    HD1  HIS  63           1HD      HIS  63   3.873   7.718 -11.253
  449    HD2  HIS  63           2HD      HIS  63  -0.222   7.665 -12.034
  450    HE1  HIS  63           1HE      HIS  63   3.461   5.746 -12.788
  451    HE2  HIS  63           2HE      HIS  63   0.969   5.700 -13.273
  452    H    GLY  64           H        GLY  64   2.774   9.441  -7.993
  453   1HA   GLY  64          2HA       GLY  64   3.665   7.058  -7.171
  454   2HA   GLY  64          1HA       GLY  64   3.663   8.437  -6.090
  455    H    PHE  65           H        PHE  65   0.752   8.622  -5.814
  456    HA   PHE  65           HA       PHE  65   0.467   6.517  -3.833
  457   1HB   PHE  65          2HB       PHE  65  -0.813   8.084  -2.808
  458   2HB   PHE  65          1HB       PHE  65  -0.717   9.124  -4.212
  459    HD1  PHE  65           1HD      PHE  65  -2.365   8.535  -6.184
  460    HD2  PHE  65           2HD      PHE  65  -2.883   7.191  -2.156
  461    HE1  PHE  65           1HE      PHE  65  -4.735   8.148  -6.650
  462    HE2  PHE  65           2HE      PHE  65  -5.290   6.798  -2.617
  463    HZ   PHE  65           HZ       PHE  65  -6.200   7.283  -4.873
  464    H    ASP  66           H        ASP  66  -0.799   7.301  -7.005
  465    HA   ASP  66           HA       ASP  66  -2.777   5.249  -7.129
  466   1HB   ASP  66          2HB       ASP  66  -2.781   7.138  -8.696
  467   2HB   ASP  66          1HB       ASP  66  -1.206   6.652  -9.328
  468    H    ILE  67           H        ILE  67   0.655   5.463  -7.806
  469    HA   ILE  67           HA       ILE  67   1.034   3.004  -9.118
  470    HB   ILE  67           HB       ILE  67   2.892   4.600  -7.324
  471   1HG1  ILE  67          2HG1      ILE  67   2.667   4.433 -10.347
  472   2HG1  ILE  67          1HG1      ILE  67   2.001   5.732  -9.364
  473   1HG2  ILE  67          1HG2      ILE  67   4.672   3.312  -8.593
  474   2HG2  ILE  67          2HG2      ILE  67   3.391   2.263  -9.200
  475   3HG2  ILE  67          3HG2      ILE  67   3.731   2.332  -7.470
  476   1HD1  ILE  67          1HD1      ILE  67   4.716   5.489  -8.563
  477   2HD1  ILE  67          2HD1      ILE  67   3.993   6.781  -9.518
  478   3HD1  ILE  67          3HD1      ILE  67   4.710   5.389 -10.325
  479    H    LEU  68           H        LEU  68   1.810   3.830  -5.754
  480    HA   LEU  68           HA       LEU  68   2.177   1.222  -4.830
  481   1HB   LEU  68          2HB       LEU  68   1.578   3.858  -3.585
  482   2HB   LEU  68          1HB       LEU  68   1.250   2.439  -2.588
  483    HG   LEU  68           HG       LEU  68   3.621   1.643  -3.154
  484   1HD1  LEU  68          1HD1      LEU  68   5.180   3.508  -3.831
  485   2HD1  LEU  68          2HD1      LEU  68   3.758   4.471  -4.230
  486   3HD1  LEU  68          3HD1      LEU  68   4.085   2.973  -5.105
  487   1HD2  LEU  68          1HD2      LEU  68   4.710   3.311  -1.601
  488   2HD2  LEU  68          2HD2      LEU  68   3.247   2.556  -0.978
  489   3HD2  LEU  68          3HD2      LEU  68   3.193   4.205  -1.602
  490    H    VAL  69           H        VAL  69  -0.774   3.228  -4.744
  491    HA   VAL  69           HA       VAL  69  -2.449   1.261  -3.629
  492    HB   VAL  69           HB       VAL  69  -3.027   3.685  -5.339
  493   1HG1  VAL  69          1HG1      VAL  69  -4.843   1.820  -3.833
  494   2HG1  VAL  69          2HG1      VAL  69  -4.909   2.268  -5.541
  495   3HG1  VAL  69          3HG1      VAL  69  -5.314   3.454  -4.305
  496   1HG2  VAL  69          1HG2      VAL  69  -3.407   4.809  -3.271
  497   2HG2  VAL  69          2HG2      VAL  69  -1.918   3.901  -3.018
  498   3HG2  VAL  69          3HG2      VAL  69  -3.440   3.297  -2.366
  499    H    GLY  70           H        GLY  70  -1.200   1.749  -6.814
  500   1HA   GLY  70          2HA       GLY  70  -3.238   0.185  -8.164
  501   2HA   GLY  70          1HA       GLY  70  -1.753   0.812  -8.875
  502    H    GLN  71           H        GLN  71   0.035  -0.286  -6.924
  503    HA   GLN  71           HA       GLN  71   0.255  -2.976  -7.971
  504   1HB   GLN  71          2HB       GLN  71   1.951  -1.506  -5.929
  505   2HB   GLN  71          1HB       GLN  71   2.360  -3.036  -6.706
  506   1HG   GLN  71          2HG       GLN  71   2.521  -2.017  -8.852
  507   2HG   GLN  71          1HG       GLN  71   1.759  -0.538  -8.282
  508   1HE2  GLN  71          1HE2      GLN  71   3.304  -0.314  -5.804
  509   2HE2  GLN  71          2HE2      GLN  71   4.895   0.055  -6.254
  510    H    ILE  72           H        ILE  72  -0.208  -1.444  -4.818
  511    HA   ILE  72           HA       ILE  72  -0.345  -3.541  -3.073
  512    HB   ILE  72           HB       ILE  72  -1.820  -0.956  -3.358
  513   1HG1  ILE  72          2HG1      ILE  72  -0.493  -1.991  -0.854
  514   2HG1  ILE  72          1HG1      ILE  72   0.497  -1.459  -2.206
  515   1HG2  ILE  72          1HG2      ILE  72  -2.663  -3.125  -1.420
  516   2HG2  ILE  72          2HG2      ILE  72  -3.675  -2.263  -2.581
  517   3HG2  ILE  72          3HG2      ILE  72  -3.032  -1.417  -1.172
  518   1HD1  ILE  72          1HD1      ILE  72  -1.670   0.221  -0.933
  519   2HD1  ILE  72          2HD1      ILE  72  -0.545   0.735  -2.178
  520   3HD1  ILE  72          3HD1      ILE  72   0.045   0.365  -0.565
  521    H    ASP  73           H        ASP  73  -3.034  -2.418  -5.141
  522    HA   ASP  73           HA       ASP  73  -4.828  -4.507  -4.477
  523   1HB   ASP  73          2HB       ASP  73  -5.484  -2.385  -5.615
  524   2HB   ASP  73          1HB       ASP  73  -4.664  -2.946  -7.070
  525    H    ASP  74           H        ASP  74  -2.663  -4.083  -7.282
  526    HA   ASP  74           HA       ASP  74  -3.120  -6.452  -8.612
  527   1HB   ASP  74          2HB       ASP  74  -1.570  -4.514  -9.260
  528   2HB   ASP  74          1HB       ASP  74  -0.355  -5.304  -8.255
  529    H    ALA  75           H        ALA  75  -1.323  -5.843  -5.676
  530    HA   ALA  75           HA       ALA  75   0.103  -8.263  -5.531
  531   1HB   ALA  75          1HB       ALA  75   0.322  -6.115  -4.083
  532   2HB   ALA  75          2HB       ALA  75   0.613  -7.679  -3.323
  533   3HB   ALA  75          3HB       ALA  75  -0.924  -6.855  -3.082
  534    H    LEU  76           H        LEU  76  -2.887  -7.372  -3.734
  535    HA   LEU  76           HA       LEU  76  -3.458  -9.961  -2.827
  536   1HB   LEU  76          2HB       LEU  76  -4.670  -7.891  -2.085
  537   2HB   LEU  76          1HB       LEU  76  -5.517  -7.891  -3.629
  538    HG   LEU  76           HG       LEU  76  -6.125 -10.405  -2.967
  539   1HD1  LEU  76          1HD1      LEU  76  -4.732 -10.520  -0.962
  540   2HD1  LEU  76          2HD1      LEU  76  -6.429 -10.602  -0.497
  541   3HD1  LEU  76          3HD1      LEU  76  -5.530  -9.101  -0.287
  542   1HD2  LEU  76          1HD2      LEU  76  -8.151  -9.544  -1.787
  543   2HD2  LEU  76          2HD2      LEU  76  -7.788  -8.632  -3.252
  544   3HD2  LEU  76          3HD2      LEU  76  -7.385  -7.959  -1.673
  545    H    LYS  77           H        LYS  77  -4.759  -8.271  -5.669
  546    HA   LYS  77           HA       LYS  77  -6.269 -10.213  -6.876
  547   1HB   LYS  77          2HB       LYS  77  -5.808  -7.846  -7.643
  548   2HB   LYS  77          1HB       LYS  77  -4.288  -8.421  -8.306
  549   1HG   LYS  77          2HG       LYS  77  -6.918  -9.705  -9.058
  550   2HG   LYS  77          1HG       LYS  77  -6.349  -8.262  -9.878
  551   1HD   LYS  77          2HD       LYS  77  -5.069  -9.559 -11.238
  552   2HD   LYS  77          1HD       LYS  77  -4.104 -10.032  -9.847
  553   1HE   LYS  77          2HE       LYS  77  -4.826 -12.106 -10.634
  554   2HE   LYS  77          1HE       LYS  77  -6.088 -11.757  -9.454
  555   1HZ   LYS  77          1HZ       LYS  77  -6.190 -11.508 -12.392
  556   2HZ   LYS  77          2HZ       LYS  77  -7.277 -10.651 -11.405
  557   3HZ   LYS  77          3HZ       LYS  77  -7.241 -12.351 -11.361
  558    H    LEU  78           H        LEU  78  -2.767  -9.747  -7.370
  559    HA   LEU  78           HA       LEU  78  -2.393 -12.082  -8.882
  560   1HB   LEU  78          2HB       LEU  78  -0.710 -10.325  -8.769
  561   2HB   LEU  78          1HB       LEU  78  -0.450 -10.663  -7.061
  562    HG   LEU  78           HG       LEU  78   0.482 -12.825  -7.535
  563   1HD1  LEU  78          1HD1      LEU  78   0.705 -13.520 -10.024
  564   2HD1  LEU  78          2HD1      LEU  78  -0.588 -12.362 -10.328
  565   3HD1  LEU  78          3HD1      LEU  78  -0.868 -13.741  -9.269
  566   1HD2  LEU  78          1HD2      LEU  78   1.843 -10.731  -8.003
  567   2HD2  LEU  78          2HD2      LEU  78   1.508 -11.006  -9.709
  568   3HD2  LEU  78          3HD2      LEU  78   2.418 -12.203  -8.785
  569    H    ALA  79           H        ALA  79  -2.599 -11.505  -5.442
  570    HA   ALA  79           HA       ALA  79  -1.803 -14.209  -4.697
  571   1HB   ALA  79          1HB       ALA  79  -3.192 -12.286  -2.842
  572   2HB   ALA  79          2HB       ALA  79  -1.525 -11.981  -3.324
  573   3HB   ALA  79          3HB       ALA  79  -1.938 -13.475  -2.484
  574    H    ASN  80           H        ASN  80  -4.566 -12.614  -5.795
  575    HA   ASN  80           HA       ASN  80  -6.520 -14.289  -4.473
  576   1HB   ASN  80          2HB       ASN  80  -6.846 -11.856  -5.305
  577   2HB   ASN  80          1HB       ASN  80  -7.015 -12.569  -6.907
  578   1HD2  ASN  80          1HD2      ASN  80  -9.035 -11.274  -4.916
  579   2HD2  ASN  80          2HD2      ASN  80 -10.303 -12.401  -4.865
  580    H    GLU  81           H        GLU  81  -4.834 -13.982  -7.504
  581    HA   GLU  81           HA       GLU  81  -5.762 -16.650  -8.376
  582   1HB   GLU  81          2HB       GLU  81  -6.771 -14.633  -9.638
  583   2HB   GLU  81          1HB       GLU  81  -5.145 -14.401 -10.285
  584   1HG   GLU  81          2HG       GLU  81  -5.178 -16.773 -11.083
  585   2HG   GLU  81          1HG       GLU  81  -6.855 -16.892 -10.551
  586    H    GLY  82           H        GLY  82  -3.509 -16.499  -6.918
  587   1HA   GLY  82          2HA       GLY  82  -1.486 -17.617  -8.394
  588   2HA   GLY  82          1HA       GLY  82  -1.172 -15.883  -8.438
  589    H    LYS  83           H        LYS  83  -1.456 -18.681  -6.423
  590    HA   LYS  83           HA       LYS  83  -1.410 -18.240  -3.904
  591   1HB   LYS  83          2HB       LYS  83  -0.221 -20.193  -5.358
  592   2HB   LYS  83          1HB       LYS  83   1.216 -19.458  -4.668
  593   1HG   LYS  83          2HG       LYS  83  -1.076 -20.120  -2.813
  594   2HG   LYS  83          1HG       LYS  83  -0.069 -21.430  -3.408
  595   1HD   LYS  83          2HD       LYS  83   1.910 -20.471  -2.472
  596   2HD   LYS  83          1HD       LYS  83   1.087 -18.956  -2.114
  597   1HE   LYS  83          2HE       LYS  83   1.328 -20.353  -0.084
  598   2HE   LYS  83          1HE       LYS  83  -0.367 -20.103  -0.500
  599   1HZ   LYS  83          1HZ       LYS  83  -0.100 -22.388  -0.034
  600   2HZ   LYS  83          2HZ       LYS  83   1.287 -22.509  -1.010
  601   3HZ   LYS  83          3HZ       LYS  83  -0.237 -22.265  -1.720
  602    H    VAL  84           H        VAL  84  -0.464 -17.346  -2.234
  603    HA   VAL  84           HA       VAL  84   0.572 -14.862  -2.270
  604    HB   VAL  84           HB       VAL  84   1.251 -17.039  -0.282
  605   1HG1  VAL  84          1HG1      VAL  84   1.856 -14.095  -0.367
  606   2HG1  VAL  84          2HG1      VAL  84   2.818 -15.415   0.292
  607   3HG1  VAL  84          3HG1      VAL  84   1.426 -14.808   1.191
  608   1HG2  VAL  84          1HG2      VAL  84  -1.100 -16.759  -0.228
  609   2HG2  VAL  84          2HG2      VAL  84  -0.993 -15.027  -0.544
  610   3HG2  VAL  84          3HG2      VAL  84  -0.532 -15.670   1.031
  611    H    LYS  85           H        LYS  85   2.446 -17.848  -2.491
  612    HA   LYS  85           HA       LYS  85   5.028 -16.936  -2.259
  613   1HB   LYS  85          2HB       LYS  85   3.844 -19.008  -4.109
  614   2HB   LYS  85          1HB       LYS  85   5.580 -18.706  -4.033
  615   1HG   LYS  85          2HG       LYS  85   5.592 -19.202  -1.634
  616   2HG   LYS  85          1HG       LYS  85   3.844 -19.432  -1.654
  617   1HD   LYS  85          2HD       LYS  85   4.054 -21.343  -3.136
  618   2HD   LYS  85          1HD       LYS  85   5.787 -21.064  -3.313
  619   1HE   LYS  85          2HE       LYS  85   6.024 -21.400  -0.830
  620   2HE   LYS  85          1HE       LYS  85   4.324 -21.864  -0.782
  621   1HZ   LYS  85          1HZ       LYS  85   5.558 -23.292  -2.841
  622   2HZ   LYS  85          2HZ       LYS  85   4.901 -23.893  -1.395
  623   3HZ   LYS  85          3HZ       LYS  85   6.537 -23.441  -1.465
  624    H    GLU  86           H        GLU  86   2.808 -16.514  -4.927
  625    HA   GLU  86           HA       GLU  86   4.804 -15.306  -6.666
  626   1HB   GLU  86          2HB       GLU  86   1.791 -15.362  -6.985
  627   2HB   GLU  86          1HB       GLU  86   2.984 -15.014  -8.235
  628   1HG   GLU  86          2HG       GLU  86   3.931 -17.334  -7.822
  629   2HG   GLU  86          1HG       GLU  86   2.512 -17.644  -6.823
  630    H    ALA  87           H        ALA  87   2.435 -14.381  -4.339
  631    HA   ALA  87           HA       ALA  87   2.339 -11.598  -5.091
  632   1HB   ALA  87          1HB       ALA  87   1.487 -12.641  -2.405
  633   2HB   ALA  87          2HB       ALA  87   0.524 -12.975  -3.846
  634   3HB   ALA  87          3HB       ALA  87   0.814 -11.310  -3.346
  635    H    GLN  88           H        GLN  88   3.789 -13.494  -2.459
  636    HA   GLN  88           HA       GLN  88   5.055 -11.338  -1.158
  637   1HB   GLN  88          2HB       GLN  88   5.940 -12.939   0.240
  638   2HB   GLN  88          1HB       GLN  88   4.695 -13.919  -0.517
  639   1HG   GLN  88          2HG       GLN  88   6.572 -15.297  -0.716
  640   2HG   GLN  88          1HG       GLN  88   6.564 -14.480  -2.270
  641   1HE2  GLN  88          1HE2      GLN  88   7.379 -11.959  -0.692
  642   2HE2  GLN  88          2HE2      GLN  88   9.050 -12.130  -0.492
  643    H    ALA  89           H        ALA  89   5.965 -13.331  -3.893
  644    HA   ALA  89           HA       ALA  89   8.617 -12.195  -4.102
  645   1HB   ALA  89          1HB       ALA  89   8.726 -13.426  -6.226
  646   2HB   ALA  89          2HB       ALA  89   7.005 -13.797  -6.111
  647   3HB   ALA  89          3HB       ALA  89   8.133 -14.474  -4.936
  648    H    ALA  90           H        ALA  90   5.479 -11.864  -5.765
  649    HA   ALA  90           HA       ALA  90   6.391  -9.875  -7.592
  650   1HB   ALA  90          1HB       ALA  90   4.009  -9.362  -7.929
  651   2HB   ALA  90          2HB       ALA  90   3.606 -10.375  -6.547
  652   3HB   ALA  90          3HB       ALA  90   4.314 -11.096  -7.992
  653    H    ALA  91           H        ALA  91   5.798  -9.854  -4.255
  654    HA   ALA  91           HA       ALA  91   5.071  -7.069  -4.026
  655   1HB   ALA  91          1HB       ALA  91   5.359  -7.452  -1.600
  656   2HB   ALA  91          2HB       ALA  91   5.969  -9.069  -1.944
  657   3HB   ALA  91          3HB       ALA  91   4.302  -8.653  -2.340
  658    H    GLU  92           H        GLU  92   8.011  -9.014  -3.584
  659    HA   GLU  92           HA       GLU  92   9.619  -6.963  -2.546
  660   1HB   GLU  92          2HB       GLU  92  11.381  -8.441  -2.733
  661   2HB   GLU  92          1HB       GLU  92  10.041  -9.573  -2.877
  662   1HG   GLU  92          2HG       GLU  92  10.223  -9.228  -5.412
  663   2HG   GLU  92          1HG       GLU  92  11.758  -8.431  -5.087
  664    H    GLN  93           H        GLN  93   8.901  -7.848  -5.921
  665    HA   GLN  93           HA       GLN  93  10.779  -6.083  -7.087
  666   1HB   GLN  93          2HB       GLN  93   9.229  -6.164  -9.104
  667   2HB   GLN  93          1HB       GLN  93   9.835  -7.718  -8.528
  668   1HG   GLN  93          2HG       GLN  93   7.772  -8.073  -7.277
  669   2HG   GLN  93          1HG       GLN  93   7.152  -6.517  -7.820
  670   1HE2  GLN  93          1HE2      GLN  93   5.987  -6.534  -9.761
  671   2HE2  GLN  93          2HE2      GLN  93   5.986  -7.817 -10.871
  672    H    LEU  94           H        LEU  94   7.949  -5.426  -5.314
  673    HA   LEU  94           HA       LEU  94   7.387  -2.875  -6.613
  674   1HB   LEU  94          2HB       LEU  94   6.383  -3.863  -3.929
  675   2HB   LEU  94          1HB       LEU  94   5.733  -2.536  -4.883
  676    HG   LEU  94           HG       LEU  94   5.706  -5.475  -5.609
  677   1HD1  LEU  94          1HD1      LEU  94   3.951  -5.035  -4.068
  678   2HD1  LEU  94          2HD1      LEU  94   3.183  -4.954  -5.651
  679   3HD1  LEU  94          3HD1      LEU  94   3.594  -3.469  -4.791
  680   1HD2  LEU  94          1HD2      LEU  94   5.080  -2.994  -7.208
  681   2HD2  LEU  94          2HD2      LEU  94   4.247  -4.509  -7.555
  682   3HD2  LEU  94          3HD2      LEU  94   6.001  -4.417  -7.691
  683    H    LYS  95           H        LYS  95   8.835  -4.099  -3.639
  684    HA   LYS  95           HA       LYS  95   9.435  -1.753  -2.314
  685   1HB   LYS  95          2HB       LYS  95  11.149  -4.237  -2.607
  686   2HB   LYS  95          1HB       LYS  95  11.467  -2.954  -1.444
  687   1HG   LYS  95          2HG       LYS  95   8.748  -4.262  -1.499
  688   2HG   LYS  95          1HG       LYS  95  10.089  -5.079  -0.706
  689   1HD   LYS  95          2HD       LYS  95  10.436  -3.217   0.795
  690   2HD   LYS  95          1HD       LYS  95   9.270  -2.230  -0.082
  691   1HE   LYS  95          2HE       LYS  95   8.119  -3.071   1.841
  692   2HE   LYS  95          1HE       LYS  95   7.531  -4.000   0.462
  693   1HZ   LYS  95          1HZ       LYS  95   9.219  -5.701   1.022
  694   2HZ   LYS  95          2HZ       LYS  95   8.036  -5.500   2.225
  695   3HZ   LYS  95          3HZ       LYS  95   9.586  -4.834   2.432
  696    H    THR  96           H        THR  96  11.122  -3.296  -4.985
  697    HA   THR  96           HA       THR  96  13.237  -1.378  -5.136
  698    HB   THR  96           HB       THR  96  12.249  -3.057  -7.424
  699    HG1  THR  96           1HG      THR  96  13.837  -4.589  -6.452
  700   1HG2  THR  96          1HG2      THR  96  15.020  -2.201  -6.549
  701   2HG2  THR  96          2HG2      THR  96  14.075  -1.421  -7.817
  702   3HG2  THR  96          3HG2      THR  96  14.620  -3.085  -8.022
  703    H    THR  97           H        THR  97  10.112  -1.795  -6.726
  704    HA   THR  97           HA       THR  97  10.337   0.198  -8.680
  705    HB   THR  97           HB       THR  97   7.800  -0.585  -7.235
  706    HG1  THR  97           1HG      THR  97   8.327  -1.829  -9.580
  707   1HG2  THR  97          1HG2      THR  97   7.576   1.331  -8.734
  708   2HG2  THR  97          2HG2      THR  97   6.800  -0.079  -9.454
  709   3HG2  THR  97          3HG2      THR  97   8.385   0.443 -10.025
  710    H    ILE  98           H        ILE  98   8.789   0.433  -5.442
  711    HA   ILE  98           HA       ILE  98   8.284   3.194  -5.673
  712    HB   ILE  98           HB       ILE  98   7.687   3.192  -3.409
  713   1HG1  ILE  98          2HG1      ILE  98   9.639   0.900  -3.032
  714   2HG1  ILE  98          1HG1      ILE  98   9.819   2.544  -2.412
  715   1HG2  ILE  98          1HG2      ILE  98   7.452   0.236  -3.954
  716   2HG2  ILE  98          2HG2      ILE  98   6.538   1.407  -4.904
  717   3HG2  ILE  98          3HG2      ILE  98   6.301   1.308  -3.160
  718   1HD1  ILE  98          1HD1      ILE  98   9.009   1.247  -0.578
  719   2HD1  ILE  98          2HD1      ILE  98   7.798   0.449  -1.581
  720   3HD1  ILE  98          3HD1      ILE  98   7.616   2.154  -1.169
  721    H    ARG  99           H        ARG  99  11.180   1.386  -4.974
  722    HA   ARG  99           HA       ARG  99  12.543   3.562  -3.723
  723   1HB   ARG  99          2HB       ARG  99  13.339   0.896  -4.741
  724   2HB   ARG  99          1HB       ARG  99  14.604   2.107  -4.859
  725   1HG   ARG  99          2HG       ARG  99  13.072   1.401  -2.333
  726   2HG   ARG  99          1HG       ARG  99  14.717   0.899  -2.709
  727   1HD   ARG  99          2HD       ARG  99  14.921   3.625  -3.043
  728   2HD   ARG  99          1HD       ARG  99  13.725   3.530  -1.756
  729    HE   ARG  99           HE       ARG  99  15.922   1.801  -1.200
  730   1HH1  ARG  99          1HH2      ARG  99  14.949   5.120  -1.314
  731   2HH1  ARG  99          2HH2      ARG  99  16.075   5.635  -0.102
  732   1HH2  ARG  99          1HH1      ARG  99  17.404   2.471   0.387
  733   2HH2  ARG  99          2HH1      ARG  99  17.464   4.136   0.860
  734    H    ALA 100           H        ALA 100  11.594   2.892  -6.901
  735    HA   ALA 100           HA       ALA 100  13.574   4.562  -8.191
  736   1HB   ALA 100          1HB       ALA 100  12.185   2.749  -9.353
  737   2HB   ALA 100          2HB       ALA 100  12.234   4.312 -10.168
  738   3HB   ALA 100          3HB       ALA 100  10.813   3.851  -9.230
  739    H    TYR 101           H        TYR 101  10.255   4.873  -6.955
  740    HA   TYR 101           HA       TYR 101  10.133   7.684  -7.633
  741   1HB   TYR 101          2HB       TYR 101   7.939   7.016  -7.510
  742   2HB   TYR 101          1HB       TYR 101   8.315   5.672  -6.439
  743    HD1  TYR 101           1HD      TYR 101   8.192   9.448  -6.399
  744    HD2  TYR 101           2HD      TYR 101   7.582   5.788  -4.217
  745    HE1  TYR 101           1HE      TYR 101   7.401  10.738  -4.442
  746    HE2  TYR 101           2HE      TYR 101   6.765   7.088  -2.273
  747    HH   TYR 101           HH       TYR 101   5.915   9.194  -1.693
  748    H    ASN 102           H        ASN 102  10.795   5.726  -4.756
  749    HA   ASN 102           HA       ASN 102  10.973   7.921  -2.968
  750   1HB   ASN 102          2HB       ASN 102  10.888   5.277  -2.546
  751   2HB   ASN 102          1HB       ASN 102  12.641   5.462  -2.515
  752   1HD2  ASN 102          1HD2      ASN 102  12.591   8.155  -1.403
  753   2HD2  ASN 102          2HD2      ASN 102  12.105   8.011   0.216
  754    H    GLN 103           H        GLN 103  13.433   6.149  -4.828
  755    HA   GLN 103           HA       GLN 103  15.573   7.807  -3.886
  756   1HB   GLN 103          2HB       GLN 103  15.818   5.446  -4.746
  757   2HB   GLN 103          1HB       GLN 103  15.526   6.098  -6.359
  758   1HG   GLN 103          2HG       GLN 103  17.543   7.283  -6.404
  759   2HG   GLN 103          1HG       GLN 103  17.682   7.322  -4.649
  760   1HE2  GLN 103          1HE2      GLN 103  17.039   4.440  -6.699
  761   2HE2  GLN 103          2HE2      GLN 103  18.450   3.619  -6.240
  762    H    LYS 104           H        LYS 104  13.652   7.666  -6.888
  763    HA   LYS 104           HA       LYS 104  15.064   9.551  -8.362
  764   1HB   LYS 104          2HB       LYS 104  13.254   8.441  -9.468
  765   2HB   LYS 104          1HB       LYS 104  12.085   9.033  -8.286
  766   1HG   LYS 104          2HG       LYS 104  11.993  11.171  -9.212
  767   2HG   LYS 104          1HG       LYS 104  13.660  11.103  -9.783
  768   1HD   LYS 104          2HD       LYS 104  13.046   9.665 -11.628
  769   2HD   LYS 104          1HD       LYS 104  11.414   9.462 -10.991
  770   1HE   LYS 104          2HE       LYS 104  10.959  11.847 -11.322
  771   2HE   LYS 104          1HE       LYS 104  12.609  12.100 -11.894
  772   1HZ   LYS 104          1HZ       LYS 104  10.816  10.139 -13.183
  773   2HZ   LYS 104          2HZ       LYS 104  12.216  10.869 -13.810
  774   3HZ   LYS 104          3HZ       LYS 104  10.790  11.775 -13.626
  775    H    TYR 105           H        TYR 105  12.351  10.042  -6.176
  776    HA   TYR 105           HA       TYR 105  12.670  12.922  -6.234
  777   1HB   TYR 105          2HB       TYR 105  10.665  11.039  -5.000
  778   2HB   TYR 105          1HB       TYR 105  10.588  12.791  -4.841
  779    HD1  TYR 105           1HD      TYR 105  10.237  14.182  -6.781
  780    HD2  TYR 105           2HD      TYR 105  10.241   9.954  -7.178
  781    HE1  TYR 105           1HE      TYR 105   9.257  14.394  -9.048
  782    HE2  TYR 105           2HE      TYR 105   9.225  10.132  -9.419
  783    HH   TYR 105           HH       TYR 105   7.790  11.895 -10.645
  784    H    GLY 106           H        GLY 106  13.512  10.265  -4.137
  785   1HA   GLY 106          2HA       GLY 106  13.826  12.070  -1.828
  786   2HA   GLY 106          1HA       GLY 106  13.975  10.335  -1.794
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  -8.664  -6.299 -11.555
    2   2H    ALA   1          2HT       ALA   1  -9.426  -6.282 -10.036
    3   3H    ALA   1          3HT       ALA   1 -10.086  -7.190 -11.311
    4    HA   ALA   1           HA       ALA   1  -8.644  -8.889 -11.072
    5   1HB   ALA   1          1HB       ALA   1  -6.698  -7.480 -11.640
    6   2HB   ALA   1          2HB       ALA   1  -6.318  -8.572 -10.309
    7   3HB   ALA   1          3HB       ALA   1  -6.655  -6.871  -9.986
    8    H    ASP   2           H        ASP   2  -9.083  -6.449  -8.604
    9    HA   ASP   2           HA       ASP   2  -9.567  -8.575  -6.604
   10   1HB   ASP   2          2HB       ASP   2  -7.995  -6.035  -6.099
   11   2HB   ASP   2          1HB       ASP   2  -8.418  -7.251  -4.895
   12    H    LEU   3           H        LEU   3 -11.329  -8.245  -5.364
   13    HA   LEU   3           HA       LEU   3 -12.515  -5.598  -5.097
   14   1HB   LEU   3          2HB       LEU   3 -14.743  -6.430  -5.904
   15   2HB   LEU   3          1HB       LEU   3 -13.541  -6.228  -7.176
   16    HG   LEU   3           HG       LEU   3 -13.694  -8.929  -5.861
   17   1HD1  LEU   3          1HD1      LEU   3 -15.749  -7.905  -7.844
   18   2HD1  LEU   3          2HD1      LEU   3 -16.059  -8.454  -6.196
   19   3HD1  LEU   3          3HD1      LEU   3 -15.522  -9.603  -7.422
   20   1HD2  LEU   3          1HD2      LEU   3 -13.266  -9.655  -8.209
   21   2HD2  LEU   3          2HD2      LEU   3 -12.050  -8.516  -7.640
   22   3HD2  LEU   3          3HD2      LEU   3 -13.329  -7.971  -8.722
   23    H    GLU   4           H        GLU   4 -11.619  -8.429  -3.801
   24    HA   GLU   4           HA       GLU   4 -13.430  -8.116  -1.514
   25   1HB   GLU   4          2HB       GLU   4 -13.093 -10.679  -3.085
   26   2HB   GLU   4          1HB       GLU   4 -13.732 -10.627  -1.442
   27   1HG   GLU   4          2HG       GLU   4 -15.490  -9.031  -2.219
   28   2HG   GLU   4          1HG       GLU   4 -14.891  -9.220  -3.864
   29    H    ASP   5           H        ASP   5 -10.393  -8.453  -2.755
   30    HA   ASP   5           HA       ASP   5  -9.212 -10.082  -0.680
   31   1HB   ASP   5          2HB       ASP   5  -8.234  -9.918  -2.960
   32   2HB   ASP   5          1HB       ASP   5  -7.872  -8.220  -2.655
   33    H    ASN   6           H        ASN   6  -9.842  -9.066   1.252
   34    HA   ASN   6           HA       ASN   6  -9.111  -6.289   1.731
   35   1HB   ASN   6          2HB       ASN   6 -10.146  -8.323   3.714
   36   2HB   ASN   6          1HB       ASN   6 -10.177  -6.566   3.861
   37   1HD2  ASN   6          1HD2      ASN   6 -11.293  -5.559   1.675
   38   2HD2  ASN   6          2HD2      ASN   6 -12.781  -6.281   1.293
   39    H    ASP   7           H        ASP   7  -7.014  -8.280   1.128
   40    HA   ASP   7           HA       ASP   7  -5.005  -9.081   1.953
   41   1HB   ASP   7          2HB       ASP   7  -3.662  -7.337   3.010
   42   2HB   ASP   7          1HB       ASP   7  -4.600  -6.657   1.682
   43    H    GLU   8           H        GLU   8  -7.423  -9.707   3.575
   44    HA   GLU   8           HA       GLU   8  -7.947 -10.681   5.589
   45   1HB   GLU   8          2HB       GLU   8  -4.955 -10.984   5.911
   46   2HB   GLU   8          1HB       GLU   8  -6.218 -11.969   6.651
   47   1HG   GLU   8          2HG       GLU   8  -6.949 -12.675   4.372
   48   2HG   GLU   8          1HG       GLU   8  -5.599 -11.773   3.690
   49    H    THR   9           H        THR   9  -6.216 -10.665   7.960
   50    HA   THR   9           HA       THR   9  -5.807  -7.886   8.666
   51    HB   THR   9           HB       THR   9  -7.970  -9.444  10.100
   52    HG1  THR   9           1HG      THR   9  -9.042  -8.817   8.394
   53   1HG2  THR   9          1HG2      THR   9  -8.395  -7.205  11.130
   54   2HG2  THR   9          2HG2      THR   9  -6.951  -6.599  10.317
   55   3HG2  THR   9          3HG2      THR   9  -6.811  -7.864  11.538
   56    H    GLY  10           H        GLY  10  -6.324 -11.163   9.970
   57   1HA   GLY  10          2HA       GLY  10  -3.694 -11.331  11.049
   58   2HA   GLY  10          1HA       GLY  10  -4.858 -10.958  12.317
   59    H    ASN  11           H        ASN  11  -6.297 -12.694   9.818
   60    HA   ASN  11           HA       ASN  11  -6.513 -15.067  11.485
   61   1HB   ASN  11          2HB       ASN  11  -7.727 -14.283   8.832
   62   2HB   ASN  11          1HB       ASN  11  -8.004 -15.847   9.595
   63   1HD2  ASN  11          1HD2      ASN  11  -7.587 -13.056  11.680
   64   2HD2  ASN  11          2HD2      ASN  11  -9.218 -12.915  12.130
   65    H    ASP  12           H        ASP  12  -3.915 -14.327  10.239
   66    HA   ASP  12           HA       ASP  12  -3.381 -16.127   8.091
   67   1HB   ASP  12          2HB       ASP  12  -1.995 -14.128   8.569
   68   2HB   ASP  12          1HB       ASP  12  -1.442 -14.892  10.058
   69    H    ASN  13           H        ASN  13  -3.535 -18.306   8.328
   70    HA   ASN  13           HA       ASN  13  -3.164 -19.577  10.892
   71   1HB   ASN  13          2HB       ASN  13  -3.435 -20.905   8.191
   72   2HB   ASN  13          1HB       ASN  13  -3.780 -21.602   9.773
   73   1HD2  ASN  13          1HD2      ASN  13  -5.470 -20.084  11.068
   74   2HD2  ASN  13          2HD2      ASN  13  -6.817 -19.612  10.150
   75    H    GLY  14           H        GLY  14  -1.139 -18.657   8.318
   76   1HA   GLY  14          2HA       GLY  14   0.815 -20.756   8.566
   77   2HA   GLY  14          1HA       GLY  14   1.015 -19.239   7.695
   78    H    LYS  15           H        LYS  15   1.094 -20.725  10.898
   79    HA   LYS  15           HA       LYS  15   2.571 -18.413  11.990
   80   1HB   LYS  15          2HB       LYS  15   1.489 -20.856  13.411
   81   2HB   LYS  15          1HB       LYS  15   2.132 -19.395  14.163
   82   1HG   LYS  15          2HG       LYS  15   0.322 -18.111  12.899
   83   2HG   LYS  15          1HG       LYS  15  -0.398 -19.679  12.529
   84   1HD   LYS  15          2HD       LYS  15   0.155 -18.595  15.308
   85   2HD   LYS  15          1HD       LYS  15  -1.429 -18.713  14.543
   86   1HE   LYS  15          2HE       LYS  15  -1.343 -20.653  15.866
   87   2HE   LYS  15          1HE       LYS  15  -0.857 -21.245  14.278
   88   1HZ   LYS  15          1HZ       LYS  15   1.051 -21.896  15.155
   89   2HZ   LYS  15          2HZ       LYS  15   0.592 -21.297  16.677
   90   3HZ   LYS  15          3HZ       LYS  15   1.422 -20.297  15.582
   91    H    GLY  16           H        GLY  16   3.942 -19.952  10.090
   92   1HA   GLY  16          2HA       GLY  16   5.598 -21.912  11.417
   93   2HA   GLY  16          1HA       GLY  16   5.798 -21.312   9.773
   94    H    GLY  17           H        GLY  17   5.923 -19.928  13.067
   95   1HA   GLY  17          2HA       GLY  17   8.032 -18.098  12.311
   96   2HA   GLY  17          1HA       GLY  17   7.321 -18.274  13.912
   97    H    GLU  18           H        GLU  18   8.157 -21.275  12.692
   98    HA   GLU  18           HA       GLU  18  10.276 -21.618  14.600
   99   1HB   GLU  18          2HB       GLU  18   9.132 -23.389  12.437
  100   2HB   GLU  18          1HB       GLU  18  10.469 -23.889  13.474
  101   1HG   GLU  18          2HG       GLU  18   8.318 -24.663  14.393
  102   2HG   GLU  18          1HG       GLU  18   9.075 -23.489  15.470
  103    H    LYS  19           H        LYS  19  11.897 -20.205  14.068
  104    HA   LYS  19           HA       LYS  19  13.968 -19.773  13.204
  105   1HB   LYS  19          2HB       LYS  19  13.669 -22.408  12.560
  106   2HB   LYS  19          1HB       LYS  19  13.752 -21.713  10.952
  107   1HG   LYS  19          2HG       LYS  19  16.015 -21.969  11.276
  108   2HG   LYS  19          1HG       LYS  19  15.862 -20.409  12.079
  109   1HD   LYS  19          2HD       LYS  19  15.796 -23.146  13.413
  110   2HD   LYS  19          1HD       LYS  19  17.118 -21.985  13.494
  111   1HE   LYS  19          2HE       LYS  19  15.631 -20.380  14.656
  112   2HE   LYS  19          1HE       LYS  19  14.311 -21.560  14.600
  113   1HZ   LYS  19          1HZ       LYS  19  15.512 -21.585  16.715
  114   2HZ   LYS  19          2HZ       LYS  19  16.947 -21.996  15.901
  115   3HZ   LYS  19          3HZ       LYS  19  15.630 -23.070  15.903
  116    H    ALA  20           H        ALA  20  14.160 -17.916  12.236
  117    HA   ALA  20           HA       ALA  20  12.512 -17.229   9.925
  118   1HB   ALA  20          1HB       ALA  20  14.652 -15.528  11.210
  119   2HB   ALA  20          2HB       ALA  20  13.024 -15.645  11.875
  120   3HB   ALA  20          3HB       ALA  20  13.268 -14.998  10.252
  121    H    ASP  21           H        ASP  21  13.387 -18.636   8.352
  122    HA   ASP  21           HA       ASP  21  16.185 -18.064   7.542
  123   1HB   ASP  21          2HB       ASP  21  15.842 -20.355   8.359
  124   2HB   ASP  21          1HB       ASP  21  14.584 -20.595   7.150
  125    H    ASN  22           H        ASN  22  13.557 -19.775   5.886
  126    HA   ASN  22           HA       ASN  22  13.983 -18.065   3.521
  127   1HB   ASN  22          2HB       ASN  22  12.621 -19.910   2.399
  128   2HB   ASN  22          1HB       ASN  22  14.225 -20.351   2.979
  129   1HD2  ASN  22          1HD2      ASN  22  12.399 -22.422   2.656
  130   2HD2  ASN  22          2HD2      ASN  22  11.872 -22.977   4.170
  131    H    ALA  23           H        ALA  23  11.049 -19.856   3.846
  132    HA   ALA  23           HA       ALA  23   9.335 -17.846   3.102
  133   1HB   ALA  23          1HB       ALA  23   7.533 -19.193   4.121
  134   2HB   ALA  23          2HB       ALA  23   8.745 -20.153   4.969
  135   3HB   ALA  23          3HB       ALA  23   8.661 -20.195   3.208
  136    H    ALA  24           H        ALA  24   9.996 -18.883   6.440
  137    HA   ALA  24           HA       ALA  24   8.420 -17.028   7.774
  138   1HB   ALA  24          1HB       ALA  24   9.405 -18.738   9.073
  139   2HB   ALA  24          2HB       ALA  24  10.190 -17.257   9.620
  140   3HB   ALA  24          3HB       ALA  24  11.028 -18.343   8.510
  141    H    GLN  25           H        GLN  25  11.865 -16.716   6.916
  142    HA   GLN  25           HA       GLN  25  12.282 -14.127   7.843
  143   1HB   GLN  25          2HB       GLN  25  13.947 -15.866   6.899
  144   2HB   GLN  25          1HB       GLN  25  13.551 -15.194   5.325
  145   1HG   GLN  25          2HG       GLN  25  15.519 -14.054   6.165
  146   2HG   GLN  25          1HG       GLN  25  14.166 -12.927   6.181
  147   1HE2  GLN  25          1HE2      GLN  25  15.394 -15.450   8.493
  148   2HE2  GLN  25          2HE2      GLN  25  15.344 -14.416   9.838
  149    H    VAL  26           H        VAL  26  11.386 -15.167   4.556
  150    HA   VAL  26           HA       VAL  26  11.161 -12.554   3.498
  151    HB   VAL  26           HB       VAL  26  10.255 -15.287   2.627
  152   1HG1  VAL  26          1HG1      VAL  26   9.490 -14.140   0.465
  153   2HG1  VAL  26          2HG1      VAL  26   9.434 -12.647   1.402
  154   3HG1  VAL  26          3HG1      VAL  26   8.403 -14.008   1.851
  155   1HG2  VAL  26          1HG2      VAL  26  12.574 -14.708   2.215
  156   2HG2  VAL  26          2HG2      VAL  26  12.113 -13.162   1.501
  157   3HG2  VAL  26          3HG2      VAL  26  11.724 -14.663   0.673
  158    H    LYS  27           H        LYS  27   9.010 -14.396   5.492
  159    HA   LYS  27           HA       LYS  27   6.625 -13.010   4.693
  160   1HB   LYS  27          2HB       LYS  27   6.017 -15.018   5.610
  161   2HB   LYS  27          1HB       LYS  27   7.423 -15.073   6.664
  162   1HG   LYS  27          2HG       LYS  27   6.414 -13.685   8.281
  163   2HG   LYS  27          1HG       LYS  27   5.158 -13.149   7.167
  164   1HD   LYS  27          2HD       LYS  27   4.254 -14.794   8.769
  165   2HD   LYS  27          1HD       LYS  27   4.216 -15.432   7.125
  166   1HE   LYS  27          2HE       LYS  27   6.104 -16.822   7.504
  167   2HE   LYS  27          1HE       LYS  27   6.536 -15.969   8.986
  168   1HZ   LYS  27          1HZ       LYS  27   4.307 -17.845   8.519
  169   2HZ   LYS  27          2HZ       LYS  27   4.255 -16.732   9.801
  170   3HZ   LYS  27          3HZ       LYS  27   5.497 -17.889   9.726
  171    H    ASP  28           H        ASP  28   8.667 -12.910   7.642
  172    HA   ASP  28           HA       ASP  28   7.426 -10.691   8.818
  173   1HB   ASP  28          2HB       ASP  28  10.344 -11.514   8.914
  174   2HB   ASP  28          1HB       ASP  28   9.584 -10.352  10.001
  175    H    ALA  29           H        ALA  29   9.584 -11.010   6.141
  176    HA   ALA  29           HA       ALA  29  10.342  -8.231   6.005
  177   1HB   ALA  29          1HB       ALA  29  11.484  -8.829   3.986
  178   2HB   ALA  29          2HB       ALA  29  10.547 -10.315   3.824
  179   3HB   ALA  29          3HB       ALA  29  11.728 -10.154   5.125
  180    H    LEU  30           H        LEU  30   7.695 -10.197   4.859
  181    HA   LEU  30           HA       LEU  30   6.923  -8.382   2.747
  182   1HB   LEU  30          2HB       LEU  30   5.801 -10.840   4.022
  183   2HB   LEU  30          1HB       LEU  30   4.660  -9.786   3.194
  184    HG   LEU  30           HG       LEU  30   7.229 -10.538   1.804
  185   1HD1  LEU  30          1HD1      LEU  30   4.820 -12.301   2.222
  186   2HD1  LEU  30          2HD1      LEU  30   6.526 -12.710   2.384
  187   3HD1  LEU  30          3HD1      LEU  30   5.829 -12.463   0.783
  188   1HD2  LEU  30          1HD2      LEU  30   4.439 -10.233   0.680
  189   2HD2  LEU  30          2HD2      LEU  30   5.980 -10.077  -0.164
  190   3HD2  LEU  30          3HD2      LEU  30   5.470  -8.835   0.976
  191    H    THR  31           H        THR  31   6.321  -8.770   6.150
  192    HA   THR  31           HA       THR  31   4.102  -6.961   6.253
  193    HB   THR  31           HB       THR  31   4.292  -7.141   8.644
  194    HG1  THR  31           1HG      THR  31   6.453  -8.787   8.698
  195   1HG2  THR  31          1HG2      THR  31   4.229  -9.598   8.852
  196   2HG2  THR  31          2HG2      THR  31   4.963  -9.740   7.249
  197   3HG2  THR  31          3HG2      THR  31   3.353  -9.033   7.427
  198    H    LYS  32           H        LYS  32   7.576  -6.715   6.385
  199    HA   LYS  32           HA       LYS  32   7.940  -4.258   7.624
  200   1HB   LYS  32          2HB       LYS  32   9.542  -6.001   6.168
  201   2HB   LYS  32          1HB       LYS  32   9.518  -4.584   5.129
  202   1HG   LYS  32          2HG       LYS  32  10.206  -4.525   8.087
  203   2HG   LYS  32          1HG       LYS  32  11.401  -4.587   6.797
  204   1HD   LYS  32          2HD       LYS  32   9.309  -2.419   6.744
  205   2HD   LYS  32          1HD       LYS  32  10.684  -2.256   7.829
  206   1HE   LYS  32          2HE       LYS  32  10.891  -2.737   4.840
  207   2HE   LYS  32          1HE       LYS  32  11.103  -1.177   5.632
  208   1HZ   LYS  32          1HZ       LYS  32  12.680  -3.307   6.768
  209   2HZ   LYS  32          2HZ       LYS  32  13.130  -1.724   6.346
  210   3HZ   LYS  32          3HZ       LYS  32  13.079  -2.941   5.161
  211    H    MET  33           H        MET  33   7.559  -4.809   4.125
  212    HA   MET  33           HA       MET  33   7.101  -2.174   3.348
  213   1HB   MET  33          2HB       MET  33   6.122  -4.811   2.247
  214   2HB   MET  33          1HB       MET  33   5.695  -3.278   1.486
  215   1HG   MET  33          2HG       MET  33   8.008  -2.740   1.093
  216   2HG   MET  33          1HG       MET  33   8.550  -4.096   2.080
  217   1HE   MET  33          1HE       MET  33   9.453  -6.177   0.943
  218   2HE   MET  33          2HE       MET  33   8.281  -7.161   0.071
  219   3HE   MET  33          3HE       MET  33   7.866  -6.504   1.652
  220    H    ARG  34           H        ARG  34   4.526  -4.639   3.712
  221    HA   ARG  34           HA       ARG  34   2.268  -3.206   3.701
  222   1HB   ARG  34          2HB       ARG  34   2.533  -5.655   4.340
  223   2HB   ARG  34          1HB       ARG  34   2.800  -5.096   5.986
  224   1HG   ARG  34          2HG       ARG  34   0.637  -3.974   6.006
  225   2HG   ARG  34          1HG       ARG  34   0.358  -4.441   4.329
  226   1HD   ARG  34          2HD       ARG  34   0.172  -6.739   4.885
  227   2HD   ARG  34          1HD       ARG  34   0.922  -6.506   6.464
  228    HE   ARG  34           HE       ARG  34  -1.860  -6.142   5.819
  229   1HH1  ARG  34          1HH2      ARG  34   0.771  -5.117   7.818
  230   2HH1  ARG  34          2HH2      ARG  34  -0.242  -4.592   9.122
  231   1HH2  ARG  34          1HH1      ARG  34  -3.196  -5.456   7.525
  232   2HH2  ARG  34          2HH1      ARG  34  -2.487  -4.784   8.955
  233    H    ALA  35           H        ALA  35   3.704  -3.828   6.905
  234    HA   ALA  35           HA       ALA  35   2.330  -1.963   8.363
  235   1HB   ALA  35          1HB       ALA  35   5.269  -2.621   8.676
  236   2HB   ALA  35          2HB       ALA  35   3.932  -3.559   9.341
  237   3HB   ALA  35          3HB       ALA  35   4.230  -1.918   9.916
  238    H    ALA  36           H        ALA  36   4.901  -1.362   6.091
  239    HA   ALA  36           HA       ALA  36   5.340   1.369   6.929
  240   1HB   ALA  36          1HB       ALA  36   6.206   0.320   4.249
  241   2HB   ALA  36          2HB       ALA  36   6.991  -0.277   5.710
  242   3HB   ALA  36          3HB       ALA  36   7.028   1.444   5.330
  243    H    ALA  37           H        ALA  37   3.677  -0.274   4.257
  244    HA   ALA  37           HA       ALA  37   2.910   1.950   2.773
  245   1HB   ALA  37          1HB       ALA  37   1.109   0.575   1.902
  246   2HB   ALA  37          2HB       ALA  37   1.239  -0.524   3.275
  247   3HB   ALA  37          3HB       ALA  37   2.547  -0.426   2.096
  248    H    LEU  38           H        LEU  38   1.336   0.445   5.581
  249    HA   LEU  38           HA       LEU  38  -0.814   2.395   5.593
  250   1HB   LEU  38          2HB       LEU  38   0.032   0.144   7.402
  251   2HB   LEU  38          1HB       LEU  38  -1.092   1.352   8.017
  252    HG   LEU  38           HG       LEU  38  -2.598   0.926   6.102
  253   1HD1  LEU  38          1HD1      LEU  38  -0.543  -1.193   5.404
  254   2HD1  LEU  38          2HD1      LEU  38  -0.965   0.219   4.435
  255   3HD1  LEU  38          3HD1      LEU  38  -2.142  -1.070   4.673
  256   1HD2  LEU  38          1HD2      LEU  38  -2.839  -0.356   8.218
  257   2HD2  LEU  38          2HD2      LEU  38  -1.778  -1.604   7.564
  258   3HD2  LEU  38          3HD2      LEU  38  -3.346  -1.300   6.817
  259    H    ASP  39           H        ASP  39   1.867   1.719   7.837
  260    HA   ASP  39           HA       ASP  39   1.613   3.842   9.544
  261   1HB   ASP  39          2HB       ASP  39   3.271   2.051   9.833
  262   2HB   ASP  39          1HB       ASP  39   4.202   2.697   8.483
  263    H    ALA  40           H        ALA  40   3.095   3.816   6.344
  264    HA   ALA  40           HA       ALA  40   4.074   6.500   6.520
  265   1HB   ALA  40          1HB       ALA  40   5.101   4.850   5.020
  266   2HB   ALA  40          2HB       ALA  40   4.527   6.255   4.120
  267   3HB   ALA  40          3HB       ALA  40   3.601   4.755   4.097
  268    H    GLN  41           H        GLN  41   1.272   4.985   4.967
  269    HA   GLN  41           HA       GLN  41   0.191   6.976   3.524
  270   1HB   GLN  41          2HB       GLN  41  -1.255   5.218   3.361
  271   2HB   GLN  41          1HB       GLN  41  -0.896   4.667   4.989
  272   1HG   GLN  41          2HG       GLN  41  -2.604   7.129   4.752
  273   2HG   GLN  41          1HG       GLN  41  -3.325   5.634   4.279
  274   1HE2  GLN  41          1HE2      GLN  41  -0.901   5.868   6.876
  275   2HE2  GLN  41          2HE2      GLN  41  -1.972   5.429   8.110
  276    H    LYS  42           H        LYS  42  -0.118   6.756   7.101
  277    HA   LYS  42           HA       LYS  42  -0.397   9.683   7.129
  278   1HB   LYS  42          2HB       LYS  42  -2.648   7.826   7.787
  279   2HB   LYS  42          1HB       LYS  42  -2.493   9.291   8.742
  280   1HG   LYS  42          2HG       LYS  42  -2.482  10.631   6.641
  281   2HG   LYS  42          1HG       LYS  42  -2.743   9.163   5.723
  282   1HD   LYS  42          2HD       LYS  42  -4.617  10.379   7.756
  283   2HD   LYS  42          1HD       LYS  42  -4.872  10.222   6.018
  284   1HE   LYS  42          2HE       LYS  42  -6.110   8.423   6.841
  285   2HE   LYS  42          1HE       LYS  42  -4.569   7.658   6.465
  286   1HZ   LYS  42          1HZ       LYS  42  -5.864   7.830   8.938
  287   2HZ   LYS  42          2HZ       LYS  42  -4.422   8.723   9.049
  288   3HZ   LYS  42          3HZ       LYS  42  -4.380   7.090   8.581
  289    H    ALA  43           H        ALA  43   1.019   7.052   8.531
  290    HA   ALA  43           HA       ALA  43   0.919   8.216  11.263
  291   1HB   ALA  43          1HB       ALA  43   0.605   5.636  10.595
  292   2HB   ALA  43          2HB       ALA  43   1.318   6.134  12.127
  293   3HB   ALA  43          3HB       ALA  43   2.358   5.647  10.793
  294    H    THR  44           H        THR  44   2.756   8.537   8.559
  295    HA   THR  44           HA       THR  44   4.956   9.657  10.057
  296    HB   THR  44           HB       THR  44   5.437   7.315   8.220
  297    HG1  THR  44           1HG      THR  44   4.778   6.568  10.177
  298   1HG2  THR  44          1HG2      THR  44   7.240   8.876   7.981
  299   2HG2  THR  44          2HG2      THR  44   7.807   7.624   9.086
  300   3HG2  THR  44          3HG2      THR  44   7.282   9.185   9.717
  301    HA   PRO  45           HA       PRO  45   3.601  12.063   6.267
  302   1HB   PRO  45          2HB       PRO  45   5.619  13.726   7.761
  303   2HB   PRO  45          1HB       PRO  45   4.188  14.258   6.849
  304   1HG   PRO  45          2HG       PRO  45   4.074  14.061   9.481
  305   2HG   PRO  45          1HG       PRO  45   2.712  13.519   8.482
  306   1HD   PRO  45          2HD       PRO  45   4.682  11.887  10.006
  307   2HD   PRO  45          1HD       PRO  45   3.015  11.479   9.538
  308    HA   PRO  46           HA       PRO  46   7.590  10.602   4.525
  309   1HB   PRO  46          2HB       PRO  46   6.661   9.262   2.405
  310   2HB   PRO  46          1HB       PRO  46   6.433   8.624   4.046
  311   1HG   PRO  46          2HG       PRO  46   4.474  10.032   2.285
  312   2HG   PRO  46          1HG       PRO  46   4.226   8.652   3.358
  313   1HD   PRO  46          2HD       PRO  46   3.648  11.334   4.003
  314   2HD   PRO  46          1HD       PRO  46   3.795  10.006   5.173
  315    H    LYS  47           H        LYS  47   5.963  10.669   1.536
  316    HA   LYS  47           HA       LYS  47   7.563  12.896   0.600
  317   1HB   LYS  47          2HB       LYS  47   5.509  11.223  -0.864
  318   2HB   LYS  47          1HB       LYS  47   6.693  12.298  -1.600
  319   1HG   LYS  47          2HG       LYS  47   8.462  10.843  -1.247
  320   2HG   LYS  47          1HG       LYS  47   7.778  10.187   0.235
  321   1HD   LYS  47          2HD       LYS  47   7.679   8.428  -1.376
  322   2HD   LYS  47          1HD       LYS  47   6.031   9.025  -1.216
  323   1HE   LYS  47          2HE       LYS  47   6.159   9.057  -3.520
  324   2HE   LYS  47          1HE       LYS  47   6.902  10.631  -3.237
  325   1HZ   LYS  47          1HZ       LYS  47   8.136   8.994  -4.712
  326   2HZ   LYS  47          2HZ       LYS  47   8.502   8.145  -3.286
  327   3HZ   LYS  47          3HZ       LYS  47   9.028   9.749  -3.483
  328    H    LEU  48           H        LEU  48   4.445  12.482   1.913
  329    HA   LEU  48           HA       LEU  48   3.163  14.631   0.456
  330   1HB   LEU  48          2HB       LEU  48   2.203  13.584   3.114
  331   2HB   LEU  48          1HB       LEU  48   1.257  14.212   1.760
  332    HG   LEU  48           HG       LEU  48   2.861  11.626   1.685
  333   1HD1  LEU  48          1HD1      LEU  48   0.817  11.709   3.246
  334   2HD1  LEU  48          2HD1      LEU  48   0.846  10.437   2.026
  335   3HD1  LEU  48          3HD1      LEU  48  -0.145  11.872   1.778
  336   1HD2  LEU  48          1HD2      LEU  48   1.366  11.275  -0.357
  337   2HD2  LEU  48          2HD2      LEU  48   2.620  12.503  -0.530
  338   3HD2  LEU  48          3HD2      LEU  48   0.949  12.983  -0.228
  339    H    GLU  49           H        GLU  49   5.680  15.366   1.655
  340    HA   GLU  49           HA       GLU  49   5.503  16.740   4.068
  341   1HB   GLU  49          2HB       GLU  49   7.080  17.309   1.554
  342   2HB   GLU  49          1HB       GLU  49   7.246  18.292   3.009
  343   1HG   GLU  49          2HG       GLU  49   7.561  15.281   3.007
  344   2HG   GLU  49          1HG       GLU  49   8.915  16.392   2.805
  345    H    ASP  50           H        ASP  50   4.231  17.501   0.930
  346    HA   ASP  50           HA       ASP  50   2.580  19.608   2.023
  347   1HB   ASP  50          2HB       ASP  50   4.688  20.813   1.514
  348   2HB   ASP  50          1HB       ASP  50   4.573  20.269  -0.159
  349    H    LYS  51           H        LYS  51   1.686  17.276   1.097
  350    HA   LYS  51           HA       LYS  51   0.392  17.991  -1.458
  351   1HB   LYS  51          2HB       LYS  51   1.354  15.178  -0.922
  352   2HB   LYS  51          1HB       LYS  51   0.761  15.863  -2.432
  353   1HG   LYS  51          2HG       LYS  51   2.741  17.253  -2.636
  354   2HG   LYS  51          1HG       LYS  51   3.311  16.748  -1.050
  355   1HD   LYS  51          2HD       LYS  51   4.461  15.525  -2.879
  356   2HD   LYS  51          1HD       LYS  51   3.549  14.442  -1.833
  357   1HE   LYS  51          2HE       LYS  51   1.883  14.079  -3.442
  358   2HE   LYS  51          1HE       LYS  51   2.266  15.559  -4.320
  359   1HZ   LYS  51          1HZ       LYS  51   4.261  13.405  -4.093
  360   2HZ   LYS  51          2HZ       LYS  51   4.124  14.619  -5.274
  361   3HZ   LYS  51          3HZ       LYS  51   3.038  13.313  -5.265
  362    H    SER  52           H        SER  52  -0.744  18.327   1.027
  363    HA   SER  52           HA       SER  52  -2.076  16.280   2.233
  364   1HB   SER  52          2HB       SER  52  -2.191  19.034   2.356
  365   2HB   SER  52          1HB       SER  52  -3.824  18.619   1.848
  366    HG   SER  52           HG       SER  52  -2.704  18.383   4.254
  367    HA   PRO  53           HA       PRO  53  -5.291  14.551  -0.244
  368   1HB   PRO  53          2HB       PRO  53  -7.524  15.849   1.253
  369   2HB   PRO  53          1HB       PRO  53  -7.178  14.125   1.017
  370   1HG   PRO  53          2HG       PRO  53  -6.755  15.315   3.365
  371   2HG   PRO  53          1HG       PRO  53  -5.665  14.054   2.758
  372   1HD   PRO  53          2HD       PRO  53  -5.262  17.032   2.804
  373   2HD   PRO  53          1HD       PRO  53  -4.095  15.728   3.112
  374    H    ASP  54           H        ASP  54  -4.362  17.187  -1.100
  375    HA   ASP  54           HA       ASP  54  -6.751  18.352  -2.414
  376   1HB   ASP  54          2HB       ASP  54  -5.320  19.876  -1.091
  377   2HB   ASP  54          1HB       ASP  54  -3.948  19.455  -2.116
  378    H    SER  55           H        SER  55  -3.544  17.118  -2.832
  379    HA   SER  55           HA       SER  55  -3.609  17.207  -5.755
  380   1HB   SER  55          2HB       SER  55  -1.385  17.512  -5.324
  381   2HB   SER  55          1HB       SER  55  -1.580  17.061  -3.646
  382    HG   SER  55           HG       SER  55  -1.518  14.866  -4.332
  383    HA   PRO  56           HA       PRO  56  -4.727  13.002  -6.644
  384   1HB   PRO  56          2HB       PRO  56  -2.146  11.880  -7.296
  385   2HB   PRO  56          1HB       PRO  56  -3.392  12.453  -8.419
  386   1HG   PRO  56          2HG       PRO  56  -0.974  13.850  -7.415
  387   2HG   PRO  56          1HG       PRO  56  -1.834  14.044  -8.953
  388   1HD   PRO  56          2HD       PRO  56  -2.013  15.915  -7.048
  389   2HD   PRO  56          1HD       PRO  56  -3.426  15.492  -8.031
  390    H    GLU  57           H        GLU  57  -2.464  13.841  -4.244
  391    HA   GLU  57           HA       GLU  57  -1.348  11.919  -2.881
  392   1HB   GLU  57          2HB       GLU  57  -1.836  14.063  -1.835
  393   2HB   GLU  57          1HB       GLU  57  -3.538  13.648  -1.703
  394   1HG   GLU  57          2HG       GLU  57  -3.061  11.846  -0.154
  395   2HG   GLU  57          1HG       GLU  57  -1.326  12.038  -0.392
  396    H    MET  58           H        MET  58  -4.871  12.255  -2.738
  397    HA   MET  58           HA       MET  58  -5.350   9.812  -1.386
  398   1HB   MET  58          2HB       MET  58  -7.255  11.251  -3.237
  399   2HB   MET  58          1HB       MET  58  -7.643  10.200  -1.873
  400   1HG   MET  58          2HG       MET  58  -6.768  11.814  -0.288
  401   2HG   MET  58          1HG       MET  58  -6.125  12.836  -1.581
  402   1HE   MET  58          1HE       MET  58 -10.456  12.040  -0.395
  403   2HE   MET  58          2HE       MET  58  -9.025  11.042  -0.148
  404   3HE   MET  58          3HE       MET  58  -9.831  11.041  -1.714
  405    H    LYS  59           H        LYS  59  -5.889  10.718  -4.790
  406    HA   LYS  59           HA       LYS  59  -6.500   8.241  -5.858
  407   1HB   LYS  59          2HB       LYS  59  -4.838  10.480  -7.040
  408   2HB   LYS  59          1HB       LYS  59  -5.399   9.093  -7.968
  409   1HG   LYS  59          2HG       LYS  59  -7.433  10.653  -6.390
  410   2HG   LYS  59          1HG       LYS  59  -6.816  11.359  -7.880
  411   1HD   LYS  59          2HD       LYS  59  -7.442   9.283  -9.095
  412   2HD   LYS  59          1HD       LYS  59  -8.117   8.633  -7.600
  413   1HE   LYS  59          2HE       LYS  59  -9.827  10.272  -7.527
  414   2HE   LYS  59          1HE       LYS  59  -9.007  11.300  -8.703
  415   1HZ   LYS  59          1HZ       LYS  59 -10.803  10.157  -9.769
  416   2HZ   LYS  59          2HZ       LYS  59 -10.245   8.651  -9.217
  417   3HZ   LYS  59          3HZ       LYS  59  -9.343   9.528 -10.358
  418    H    ASP  60           H        ASP  60  -3.385   9.598  -4.982
  419    HA   ASP  60           HA       ASP  60  -1.865   7.369  -6.015
  420   1HB   ASP  60          2HB       ASP  60  -0.987   9.689  -5.932
  421   2HB   ASP  60          1HB       ASP  60  -0.995   9.601  -4.171
  422    H    PHE  61           H        PHE  61  -3.050   8.439  -2.853
  423    HA   PHE  61           HA       PHE  61  -1.651   6.351  -1.430
  424   1HB   PHE  61          2HB       PHE  61  -2.079   8.058   0.090
  425   2HB   PHE  61          1HB       PHE  61  -3.603   8.497  -0.669
  426    HD1  PHE  61           1HD      PHE  61  -5.249   8.347   1.028
  427    HD2  PHE  61           2HD      PHE  61  -2.394   5.181   0.583
  428    HE1  PHE  61           1HE      PHE  61  -6.520   6.987   2.655
  429    HE2  PHE  61           2HE      PHE  61  -3.662   3.814   2.222
  430    HZ   PHE  61           HZ       PHE  61  -5.727   4.716   3.254
  431    H    ARG  62           H        ARG  62  -5.106   7.021  -2.031
  432    HA   ARG  62           HA       ARG  62  -6.204   4.666  -1.202
  433   1HB   ARG  62          2HB       ARG  62  -6.998   6.019  -3.793
  434   2HB   ARG  62          1HB       ARG  62  -8.018   5.023  -2.761
  435   1HG   ARG  62          2HG       ARG  62  -6.738   7.511  -1.632
  436   2HG   ARG  62          1HG       ARG  62  -8.194   7.641  -2.604
  437   1HD   ARG  62          2HD       ARG  62  -8.123   5.655  -0.354
  438   2HD   ARG  62          1HD       ARG  62  -8.351   7.363   0.008
  439    HE   ARG  62           HE       ARG  62 -10.113   6.458  -2.071
  440   1HH1  ARG  62          1HH2      ARG  62  -9.546   6.537   1.343
  441   2HH1  ARG  62          2HH2      ARG  62 -11.223   6.428   1.763
  442   1HH2  ARG  62          1HH1      ARG  62 -12.315   6.314  -1.525
  443   2HH2  ARG  62          2HH1      ARG  62 -12.789   6.302   0.142
  444    H    HIS  63           H        HIS  63  -4.661   5.265  -4.361
  445    HA   HIS  63           HA       HIS  63  -4.998   2.491  -5.129
  446   1HB   HIS  63          2HB       HIS  63  -4.947   4.521  -6.697
  447   2HB   HIS  63          1HB       HIS  63  -3.201   4.492  -6.481
  448    HD1  HIS  63           1HD      HIS  63  -4.637   1.141  -6.362
  449    HD2  HIS  63           2HD      HIS  63  -3.284   3.702  -9.354
  450    HE1  HIS  63           1HE      HIS  63  -4.279  -0.291  -8.418
  451    HE2  HIS  63           2HE      HIS  63  -3.457   1.258 -10.254
  452    H    GLY  64           H        GLY  64  -2.193   4.600  -4.538
  453   1HA   GLY  64          2HA       GLY  64  -0.121   2.868  -4.730
  454   2HA   GLY  64          1HA       GLY  64  -0.167   4.119  -3.506
  455    H    PHE  65           H        PHE  65  -2.363   3.056  -1.943
  456    HA   PHE  65           HA       PHE  65  -0.837   1.009  -0.545
  457   1HB   PHE  65          2HB       PHE  65  -1.891   1.843   1.278
  458   2HB   PHE  65          1HB       PHE  65  -2.800   2.934   0.250
  459    HD1  PHE  65           1HD      PHE  65  -4.804   1.652  -1.071
  460    HD2  PHE  65           2HD      PHE  65  -3.142   0.448   2.682
  461    HE1  PHE  65           1HE      PHE  65  -6.861   0.431  -0.588
  462    HE2  PHE  65           2HE      PHE  65  -5.232  -0.791   3.187
  463    HZ   PHE  65           HZ       PHE  65  -7.086  -0.790   1.537
  464    H    ASP  66           H        ASP  66  -3.475   1.219  -2.762
  465    HA   ASP  66           HA       ASP  66  -4.488  -1.424  -2.330
  466   1HB   ASP  66          2HB       ASP  66  -5.748   0.468  -3.449
  467   2HB   ASP  66          1HB       ASP  66  -4.698   0.245  -4.847
  468    H    ILE  67           H        ILE  67  -1.960   0.090  -4.161
  469    HA   ILE  67           HA       ILE  67  -1.356  -2.165  -5.860
  470    HB   ILE  67           HB       ILE  67   0.150   0.388  -5.202
  471   1HG1  ILE  67          2HG1      ILE  67  -1.434  -0.468  -7.646
  472   2HG1  ILE  67          1HG1      ILE  67  -2.015   0.616  -6.384
  473   1HG2  ILE  67          1HG2      ILE  67   0.713  -1.799  -7.238
  474   2HG2  ILE  67          2HG2      ILE  67   1.763  -1.287  -5.917
  475   3HG2  ILE  67          3HG2      ILE  67   1.472  -0.207  -7.275
  476   1HD1  ILE  67          1HD1      ILE  67  -1.221   2.083  -8.058
  477   2HD1  ILE  67          2HD1      ILE  67   0.193   1.082  -8.383
  478   3HD1  ILE  67          3HD1      ILE  67   0.103   2.021  -6.895
  479    H    LEU  68           H        LEU  68   0.187  -0.594  -3.091
  480    HA   LEU  68           HA       LEU  68   2.302  -2.428  -2.822
  481   1HB   LEU  68          2HB       LEU  68   1.134  -0.240  -1.231
  482   2HB   LEU  68          1HB       LEU  68   1.974  -1.458  -0.271
  483    HG   LEU  68           HG       LEU  68   3.956  -1.221  -1.820
  484   1HD1  LEU  68          1HD1      LEU  68   4.067   0.609  -3.378
  485   2HD1  LEU  68          2HD1      LEU  68   2.510   1.239  -2.835
  486   3HD1  LEU  68          3HD1      LEU  68   2.585  -0.281  -3.726
  487   1HD2  LEU  68          1HD2      LEU  68   2.998   1.245  -0.347
  488   2HD2  LEU  68          2HD2      LEU  68   4.624   1.061  -0.996
  489   3HD2  LEU  68          3HD2      LEU  68   4.053  -0.031   0.263
  490    H    VAL  69           H        VAL  69  -1.013  -2.558  -1.583
  491    HA   VAL  69           HA       VAL  69  -0.379  -4.857   0.098
  492    HB   VAL  69           HB       VAL  69  -2.681  -4.849   0.756
  493   1HG1  VAL  69          1HG1      VAL  69  -2.930  -2.128   1.025
  494   2HG1  VAL  69          2HG1      VAL  69  -1.208  -2.258   0.674
  495   3HG1  VAL  69          3HG1      VAL  69  -1.889  -3.120   2.048
  496   1HG2  VAL  69          1HG2      VAL  69  -3.045  -3.143  -1.698
  497   2HG2  VAL  69          2HG2      VAL  69  -4.230  -3.117  -0.393
  498   3HG2  VAL  69          3HG2      VAL  69  -3.891  -4.622  -1.247
  499    H    GLY  70           H        GLY  70  -1.568  -4.223  -3.089
  500   1HA   GLY  70          2HA       GLY  70  -2.784  -6.777  -3.525
  501   2HA   GLY  70          1HA       GLY  70  -2.354  -5.602  -4.765
  502    H    GLN  71           H        GLN  71   0.461  -5.510  -3.720
  503    HA   GLN  71           HA       GLN  71   1.433  -7.797  -5.254
  504   1HB   GLN  71          2HB       GLN  71   3.589  -6.652  -5.080
  505   2HB   GLN  71          1HB       GLN  71   2.354  -5.585  -5.722
  506   1HG   GLN  71          2HG       GLN  71   2.009  -4.678  -3.429
  507   2HG   GLN  71          1HG       GLN  71   3.349  -5.648  -2.868
  508   1HE2  GLN  71          1HE2      GLN  71   2.705  -3.356  -5.528
  509   2HE2  GLN  71          2HE2      GLN  71   4.186  -2.556  -5.396
  510    H    ILE  72           H        ILE  72   1.556  -6.499  -1.961
  511    HA   ILE  72           HA       ILE  72   3.437  -8.278  -0.883
  512    HB   ILE  72           HB       ILE  72   1.294  -6.482   0.139
  513   1HG1  ILE  72          2HG1      ILE  72   4.002  -6.931   1.378
  514   2HG1  ILE  72          1HG1      ILE  72   3.876  -6.087  -0.157
  515   1HG2  ILE  72          1HG2      ILE  72   2.386  -8.746   1.832
  516   2HG2  ILE  72          2HG2      ILE  72   0.693  -8.419   1.459
  517   3HG2  ILE  72          3HG2      ILE  72   1.596  -7.311   2.492
  518   1HD1  ILE  72          1HD1      ILE  72   2.726  -4.294   0.757
  519   2HD1  ILE  72          2HD1      ILE  72   3.798  -4.736   2.061
  520   3HD1  ILE  72          3HD1      ILE  72   2.114  -5.235   2.112
  521    H    ASP  73           H        ASP  73  -0.025  -8.559  -1.459
  522    HA   ASP  73           HA       ASP  73  -0.273 -11.146  -0.212
  523   1HB   ASP  73          2HB       ASP  73  -2.198  -9.588  -0.509
  524   2HB   ASP  73          1HB       ASP  73  -2.081  -9.821  -2.253
  525    H    ASP  74           H        ASP  74   0.114  -9.933  -3.518
  526    HA   ASP  74           HA       ASP  74  -0.048 -12.375  -4.870
  527   1HB   ASP  74          2HB       ASP  74  -0.032  -9.982  -5.833
  528   2HB   ASP  74          1HB       ASP  74   1.725 -10.102  -5.741
  529    H    ALA  75           H        ALA  75   2.433 -10.899  -2.980
  530    HA   ALA  75           HA       ALA  75   4.598 -12.452  -4.020
  531   1HB   ALA  75          1HB       ALA  75   4.234 -10.739  -1.575
  532   2HB   ALA  75          2HB       ALA  75   5.243 -10.436  -2.987
  533   3HB   ALA  75          3HB       ALA  75   5.704 -11.680  -1.826
  534    H    LEU  76           H        LEU  76   3.142 -12.485  -0.739
  535    HA   LEU  76           HA       LEU  76   4.185 -14.927   0.053
  536   1HB   LEU  76          2HB       LEU  76   2.850 -13.303   1.492
  537   2HB   LEU  76          1HB       LEU  76   1.403 -14.041   0.809
  538    HG   LEU  76           HG       LEU  76   2.631 -16.330   1.526
  539   1HD1  LEU  76          1HD1      LEU  76   4.690 -15.251   2.310
  540   2HD1  LEU  76          2HD1      LEU  76   3.848 -15.995   3.667
  541   3HD1  LEU  76          3HD1      LEU  76   3.768 -14.250   3.431
  542   1HD2  LEU  76          1HD2      LEU  76   0.446 -15.629   2.378
  543   2HD2  LEU  76          2HD2      LEU  76   1.202 -14.443   3.442
  544   3HD2  LEU  76          3HD2      LEU  76   1.446 -16.166   3.728
  545    H    LYS  77           H        LYS  77   0.924 -14.400  -1.397
  546    HA   LYS  77           HA       LYS  77   0.098 -17.022  -1.484
  547   1HB   LYS  77          2HB       LYS  77  -1.509 -16.374  -3.039
  548   2HB   LYS  77          1HB       LYS  77  -1.089 -14.881  -2.265
  549   1HG   LYS  77          2HG       LYS  77  -1.134 -14.339  -4.542
  550   2HG   LYS  77          1HG       LYS  77   0.566 -14.448  -4.126
  551   1HD   LYS  77          2HD       LYS  77  -0.382 -15.528  -6.361
  552   2HD   LYS  77          1HD       LYS  77   0.907 -16.300  -5.472
  553   1HE   LYS  77          2HE       LYS  77  -0.884 -17.888  -6.181
  554   2HE   LYS  77          1HE       LYS  77  -0.709 -17.845  -4.430
  555   1HZ   LYS  77          1HZ       LYS  77  -2.868 -17.387  -4.375
  556   2HZ   LYS  77          2HZ       LYS  77  -2.942 -17.114  -6.050
  557   3HZ   LYS  77          3HZ       LYS  77  -2.498 -15.854  -4.999
  558    H    LEU  78           H        LEU  78   2.591 -15.526  -3.397
  559    HA   LEU  78           HA       LEU  78   2.874 -17.668  -5.272
  560   1HB   LEU  78          2HB       LEU  78   3.807 -15.191  -5.314
  561   2HB   LEU  78          1HB       LEU  78   5.178 -15.907  -4.478
  562    HG   LEU  78           HG       LEU  78   5.667 -15.948  -6.836
  563   1HD1  LEU  78          1HD1      LEU  78   6.162 -17.997  -5.405
  564   2HD1  LEU  78          2HD1      LEU  78   6.132 -18.263  -7.148
  565   3HD1  LEU  78          3HD1      LEU  78   4.756 -18.750  -6.160
  566   1HD2  LEU  78          1HD2      LEU  78   3.327 -17.697  -7.531
  567   2HD2  LEU  78          2HD2      LEU  78   4.201 -16.536  -8.524
  568   3HD2  LEU  78          3HD2      LEU  78   3.025 -15.968  -7.346
  569    H    ALA  79           H        ALA  79   4.890 -16.699  -2.484
  570    HA   ALA  79           HA       ALA  79   6.474 -19.043  -2.372
  571   1HB   ALA  79          1HB       ALA  79   5.670 -17.137  -0.151
  572   2HB   ALA  79          2HB       ALA  79   7.072 -16.959  -1.204
  573   3HB   ALA  79          3HB       ALA  79   6.985 -18.306  -0.072
  574    H    ASN  80           H        ASN  80   3.311 -18.269  -1.116
  575    HA   ASN  80           HA       ASN  80   3.101 -20.432   0.708
  576   1HB   ASN  80          2HB       ASN  80   1.696 -18.277   0.645
  577   2HB   ASN  80          1HB       ASN  80   0.775 -19.064  -0.632
  578   1HD2  ASN  80          1HD2      ASN  80  -0.273 -18.388   2.031
  579   2HD2  ASN  80          2HD2      ASN  80  -0.704 -19.854   2.769
  580    H    GLU  81           H        GLU  81   2.759 -19.990  -2.683
  581    HA   GLU  81           HA       GLU  81   1.158 -22.345  -3.155
  582   1HB   GLU  81          2HB       GLU  81   1.100 -20.303  -4.617
  583   2HB   GLU  81          1HB       GLU  81   2.723 -20.723  -5.165
  584   1HG   GLU  81          2HG       GLU  81   1.929 -22.877  -5.992
  585   2HG   GLU  81          1HG       GLU  81   0.315 -22.551  -5.364
  586    H    GLY  82           H        GLY  82   4.579 -21.421  -3.830
  587   1HA   GLY  82          2HA       GLY  82   5.280 -24.268  -3.592
  588   2HA   GLY  82          1HA       GLY  82   5.670 -23.439  -5.091
  589    H    LYS  83           H        LYS  83   7.312 -21.864  -5.105
  590    HA   LYS  83           HA       LYS  83   9.199 -22.144  -2.856
  591   1HB   LYS  83          2HB       LYS  83   9.862 -22.996  -5.078
  592   2HB   LYS  83          1HB       LYS  83   9.710 -21.376  -5.726
  593   1HG   LYS  83          2HG       LYS  83  12.016 -21.580  -5.302
  594   2HG   LYS  83          1HG       LYS  83  11.433 -20.682  -3.916
  595   1HD   LYS  83          2HD       LYS  83  12.968 -22.432  -3.186
  596   2HD   LYS  83          1HD       LYS  83  11.355 -22.797  -2.602
  597   1HE   LYS  83          2HE       LYS  83  11.116 -24.628  -4.013
  598   2HE   LYS  83          1HE       LYS  83  12.163 -23.937  -5.255
  599   1HZ   LYS  83          1HZ       LYS  83  13.173 -24.820  -2.615
  600   2HZ   LYS  83          2HZ       LYS  83  14.071 -24.460  -4.012
  601   3HZ   LYS  83          3HZ       LYS  83  13.100 -25.853  -3.958
  602    H    VAL  84           H        VAL  84  10.266 -20.533  -1.929
  603    HA   VAL  84           HA       VAL  84   9.088 -17.923  -1.877
  604    HB   VAL  84           HB       VAL  84  11.626 -19.041  -0.658
  605   1HG1  VAL  84          1HG1      VAL  84  11.380 -16.973   0.835
  606   2HG1  VAL  84          2HG1      VAL  84  10.281 -16.346  -0.393
  607   3HG1  VAL  84          3HG1      VAL  84  11.962 -16.689  -0.805
  608   1HG2  VAL  84          1HG2      VAL  84  10.386 -19.377   1.308
  609   2HG2  VAL  84          2HG2      VAL  84   9.232 -19.843   0.059
  610   3HG2  VAL  84          3HG2      VAL  84   9.117 -18.257   0.819
  611    H    LYS  85           H        LYS  85  12.147 -19.287  -3.056
  612    HA   LYS  85           HA       LYS  85  13.478 -17.039  -3.906
  613   1HB   LYS  85          2HB       LYS  85  13.310 -19.629  -5.462
  614   2HB   LYS  85          1HB       LYS  85  14.615 -18.445  -5.518
  615   1HG   LYS  85          2HG       LYS  85  14.974 -18.839  -3.054
  616   2HG   LYS  85          1HG       LYS  85  13.810 -20.160  -3.154
  617   1HD   LYS  85          2HD       LYS  85  15.198 -21.303  -4.813
  618   2HD   LYS  85          1HD       LYS  85  16.338 -19.958  -4.817
  619   1HE   LYS  85          2HE       LYS  85  15.688 -21.717  -2.433
  620   2HE   LYS  85          1HE       LYS  85  17.167 -21.784  -3.391
  621   1HZ   LYS  85          1HZ       LYS  85  17.604 -19.474  -2.773
  622   2HZ   LYS  85          2HZ       LYS  85  17.513 -20.482  -1.409
  623   3HZ   LYS  85          3HZ       LYS  85  16.213 -19.462  -1.804
  624    H    GLU  86           H        GLU  86  10.731 -18.640  -5.390
  625    HA   GLU  86           HA       GLU  86  10.828 -17.063  -7.816
  626   1HB   GLU  86          2HB       GLU  86   8.591 -18.753  -6.659
  627   2HB   GLU  86          1HB       GLU  86   8.628 -18.073  -8.287
  628   1HG   GLU  86          2HG       GLU  86  10.542 -19.397  -8.883
  629   2HG   GLU  86          1HG       GLU  86  10.768 -19.912  -7.213
  630    H    ALA  87           H        ALA  87   9.453 -16.897  -4.675
  631    HA   ALA  87           HA       ALA  87   7.631 -14.718  -5.272
  632   1HB   ALA  87          1HB       ALA  87   7.252 -16.484  -3.477
  633   2HB   ALA  87          2HB       ALA  87   7.023 -14.809  -2.972
  634   3HB   ALA  87          3HB       ALA  87   8.503 -15.665  -2.540
  635    H    GLN  88           H        GLN  88  10.663 -15.153  -3.431
  636    HA   GLN  88           HA       GLN  88  11.032 -12.498  -2.664
  637   1HB   GLN  88          2HB       GLN  88  13.106 -13.180  -1.940
  638   2HB   GLN  88          1HB       GLN  88  12.425 -14.771  -2.240
  639   1HG   GLN  88          2HG       GLN  88  14.485 -14.905  -3.338
  640   2HG   GLN  88          1HG       GLN  88  13.407 -14.460  -4.649
  641   1HE2  GLN  88          1HE2      GLN  88  13.220 -11.695  -3.326
  642   2HE2  GLN  88          2HE2      GLN  88  14.630 -10.903  -3.825
  643    H    ALA  89           H        ALA  89  11.645 -14.115  -5.718
  644    HA   ALA  89           HA       ALA  89  12.923 -11.869  -6.971
  645   1HB   ALA  89          1HB       ALA  89  11.486 -14.244  -8.195
  646   2HB   ALA  89          2HB       ALA  89  13.212 -14.165  -7.837
  647   3HB   ALA  89          3HB       ALA  89  12.516 -13.109  -9.066
  648    H    ALA  90           H        ALA  90   9.671 -13.182  -6.663
  649    HA   ALA  90           HA       ALA  90   8.363 -11.380  -8.420
  650   1HB   ALA  90          1HB       ALA  90   6.345 -12.146  -7.464
  651   2HB   ALA  90          2HB       ALA  90   7.111 -12.506  -5.917
  652   3HB   ALA  90          3HB       ALA  90   7.438 -13.522  -7.321
  653    H    ALA  91           H        ALA  91   9.760 -11.039  -5.303
  654    HA   ALA  91           HA       ALA  91   8.239  -8.772  -4.441
  655   1HB   ALA  91          1HB       ALA  91   9.628  -8.737  -2.559
  656   2HB   ALA  91          2HB       ALA  91  10.989  -9.439  -3.433
  657   3HB   ALA  91          3HB       ALA  91   9.602 -10.441  -3.008
  658    H    GLU  92           H        GLU  92  11.274  -9.277  -6.136
  659    HA   GLU  92           HA       GLU  92  12.250  -6.633  -6.014
  660   1HB   GLU  92          2HB       GLU  92  12.722  -8.596  -8.259
  661   2HB   GLU  92          1HB       GLU  92  13.778  -7.284  -7.733
  662   1HG   GLU  92          2HG       GLU  92  14.041  -8.387  -5.537
  663   2HG   GLU  92          1HG       GLU  92  13.017  -9.709  -6.088
  664    H    GLN  93           H        GLN  93  10.310  -8.281  -8.530
  665    HA   GLN  93           HA       GLN  93  10.203  -6.154 -10.332
  666   1HB   GLN  93          2HB       GLN  93   7.935  -7.159 -10.996
  667   2HB   GLN  93          1HB       GLN  93   9.347  -8.206 -11.117
  668   1HG   GLN  93          2HG       GLN  93   8.817  -9.164  -8.904
  669   2HG   GLN  93          1HG       GLN  93   7.400  -8.131  -8.807
  670   1HE2  GLN  93          1HE2      GLN  93   5.561  -8.641 -10.184
  671   2HE2  GLN  93          2HE2      GLN  93   5.455 -10.124 -11.002
  672    H    LEU  94           H        LEU  94   9.026  -6.281  -7.180
  673    HA   LEU  94           HA       LEU  94   6.827  -4.400  -7.579
  674   1HB   LEU  94          2HB       LEU  94   8.097  -5.122  -4.932
  675   2HB   LEU  94          1HB       LEU  94   6.495  -4.465  -5.232
  676    HG   LEU  94           HG       LEU  94   7.483  -7.234  -5.952
  677   1HD1  LEU  94          1HD1      LEU  94   6.880  -7.112  -3.635
  678   2HD1  LEU  94          2HD1      LEU  94   5.495  -7.830  -4.451
  679   3HD1  LEU  94          3HD1      LEU  94   5.461  -6.133  -3.977
  680   1HD2  LEU  94          1HD2      LEU  94   5.026  -7.496  -6.678
  681   2HD2  LEU  94          2HD2      LEU  94   6.069  -6.580  -7.757
  682   3HD2  LEU  94          3HD2      LEU  94   4.959  -5.733  -6.688
  683    H    LYS  95           H        LYS  95  10.052  -4.441  -6.104
  684    HA   LYS  95           HA       LYS  95  10.292  -1.858  -5.223
  685   1HB   LYS  95          2HB       LYS  95  12.369  -3.450  -6.756
  686   2HB   LYS  95          1HB       LYS  95  12.712  -1.977  -5.860
  687   1HG   LYS  95          2HG       LYS  95  11.626  -4.550  -4.647
  688   2HG   LYS  95          1HG       LYS  95  13.291  -4.013  -4.573
  689   1HD   LYS  95          2HD       LYS  95  12.758  -2.947  -2.637
  690   2HD   LYS  95          1HD       LYS  95  11.873  -1.788  -3.612
  691   1HE   LYS  95          2HE       LYS  95  10.816  -4.199  -2.133
  692   2HE   LYS  95          1HE       LYS  95  10.309  -2.519  -1.996
  693   1HZ   LYS  95          1HZ       LYS  95   9.189  -2.609  -4.011
  694   2HZ   LYS  95          2HZ       LYS  95   8.823  -4.101  -3.287
  695   3HZ   LYS  95          3HZ       LYS  95   9.985  -4.015  -4.521
  696    H    THR  96           H        THR  96  10.455  -3.048  -8.523
  697    HA   THR  96           HA       THR  96  11.066  -0.497  -9.691
  698    HB   THR  96           HB       THR  96   9.738  -2.806 -11.087
  699    HG1  THR  96           1HG      THR  96  11.502  -3.911 -10.881
  700   1HG2  THR  96          1HG2      THR  96  10.030  -0.654 -12.302
  701   2HG2  THR  96          2HG2      THR  96  10.972  -1.963 -13.016
  702   3HG2  THR  96          3HG2      THR  96  11.766  -0.753 -12.006
  703    H    THR  97           H        THR  97   8.111  -2.373  -9.125
  704    HA   THR  97           HA       THR  97   6.322  -0.743 -10.555
  705    HB   THR  97           HB       THR  97   5.747  -2.291  -8.019
  706    HG1  THR  97           1HG      THR  97   6.096  -3.021 -10.703
  707   1HG2  THR  97          1HG2      THR  97   3.931  -0.806  -8.633
  708   2HG2  THR  97          2HG2      THR  97   3.476  -2.454  -9.065
  709   3HG2  THR  97          3HG2      THR  97   4.018  -1.334 -10.313
  710    H    ILE  98           H        ILE  98   7.108  -0.709  -7.060
  711    HA   ILE  98           HA       ILE  98   5.565   1.601  -6.529
  712    HB   ILE  98           HB       ILE  98   6.498   1.593  -4.375
  713   1HG1  ILE  98          2HG1      ILE  98   8.902   0.146  -5.543
  714   2HG1  ILE  98          1HG1      ILE  98   8.891   1.826  -4.985
  715   1HG2  ILE  98          1HG2      ILE  98   6.393  -0.704  -3.691
  716   2HG2  ILE  98          2HG2      ILE  98   6.916  -1.267  -5.278
  717   3HG2  ILE  98          3HG2      ILE  98   5.316  -0.548  -5.081
  718   1HD1  ILE  98          1HD1      ILE  98   8.545  -0.693  -3.332
  719   2HD1  ILE  98          2HD1      ILE  98   8.162   0.913  -2.716
  720   3HD1  ILE  98          3HD1      ILE  98   9.814   0.526  -3.197
  721    H    ARG  99           H        ARG  99   8.757   1.086  -7.848
  722    HA   ARG  99           HA       ARG  99   9.736   3.668  -7.279
  723   1HB   ARG  99          2HB       ARG  99  11.221   1.819  -8.004
  724   2HB   ARG  99          1HB       ARG  99  10.493   1.883  -9.606
  725   1HG   ARG  99          2HG       ARG  99  12.627   3.139  -9.522
  726   2HG   ARG  99          1HG       ARG  99  11.266   4.190  -9.901
  727   1HD   ARG  99          2HD       ARG  99  11.434   5.336  -7.908
  728   2HD   ARG  99          1HD       ARG  99  11.923   3.911  -6.999
  729    HE   ARG  99           HE       ARG  99  13.966   4.743  -8.829
  730   1HH1  ARG  99          1HH2      ARG  99  12.454   5.416  -5.789
  731   2HH1  ARG  99          2HH2      ARG  99  13.861   6.148  -5.096
  732   1HH2  ARG  99          1HH1      ARG  99  15.814   5.700  -7.924
  733   2HH2  ARG  99          2HH1      ARG  99  15.763   6.309  -6.303
  734    H    ALA 100           H        ALA 100   7.406   2.517  -9.465
  735    HA   ALA 100           HA       ALA 100   7.554   4.769 -11.287
  736   1HB   ALA 100          1HB       ALA 100   5.437   3.926 -12.160
  737   2HB   ALA 100          2HB       ALA 100   5.245   2.858 -10.770
  738   3HB   ALA 100          3HB       ALA 100   6.533   2.561 -11.939
  739    H    TYR 101           H        TYR 101   5.695   3.777  -8.425
  740    HA   TYR 101           HA       TYR 101   4.177   6.225  -8.377
  741   1HB   TYR 101          2HB       TYR 101   2.936   4.696  -7.197
  742   2HB   TYR 101          1HB       TYR 101   4.350   3.756  -6.739
  743    HD1  TYR 101           1HD      TYR 101   2.734   7.096  -6.030
  744    HD2  TYR 101           2HD      TYR 101   5.046   3.802  -4.505
  745    HE1  TYR 101           1HE      TYR 101   2.686   8.103  -3.768
  746    HE2  TYR 101           2HE      TYR 101   4.988   4.814  -2.244
  747    HH   TYR 101           HH       TYR 101   3.332   7.919  -1.659
  748    H    ASN 102           H        ASN 102   7.066   4.968  -6.753
  749    HA   ASN 102           HA       ASN 102   7.426   7.212  -5.040
  750   1HB   ASN 102          2HB       ASN 102   8.569   4.790  -5.076
  751   2HB   ASN 102          1HB       ASN 102   9.789   5.634  -6.024
  752   1HD2  ASN 102          1HD2      ASN 102   8.260   5.480  -2.837
  753   2HD2  ASN 102          2HD2      ASN 102   9.415   6.439  -2.049
  754    H    GLN 103           H        GLN 103   8.815   6.374  -8.211
  755    HA   GLN 103           HA       GLN 103  10.303   8.801  -8.422
  756   1HB   GLN 103          2HB       GLN 103  10.794   6.703  -9.703
  757   2HB   GLN 103          1HB       GLN 103   9.332   7.019 -10.640
  758   1HG   GLN 103          2HG       GLN 103  10.222   8.974 -11.613
  759   2HG   GLN 103          1HG       GLN 103  11.486   9.116 -10.392
  760   1HE2  GLN 103          1HE2      GLN 103  10.469   6.365 -12.509
  761   2HE2  GLN 103          2HE2      GLN 103  12.022   6.098 -13.138
  762    H    LYS 104           H        LYS 104   7.189   7.695  -9.748
  763    HA   LYS 104           HA       LYS 104   6.631   9.896 -11.354
  764   1HB   LYS 104          2HB       LYS 104   5.110   8.044 -11.455
  765   2HB   LYS 104          1HB       LYS 104   4.713   8.201  -9.742
  766   1HG   LYS 104          2HG       LYS 104   3.314  10.037 -10.072
  767   2HG   LYS 104          1HG       LYS 104   4.225  10.606 -11.469
  768   1HD   LYS 104          2HD       LYS 104   3.272   8.861 -12.872
  769   2HD   LYS 104          1HD       LYS 104   2.476   8.127 -11.479
  770   1HE   LYS 104          2HE       LYS 104   1.068  10.079 -11.180
  771   2HE   LYS 104          1HE       LYS 104   1.946  10.954 -12.436
  772   1HZ   LYS 104          1HZ       LYS 104   0.381  10.157 -13.790
  773   2HZ   LYS 104          2HZ       LYS 104  -0.128   8.974 -12.683
  774   3HZ   LYS 104          3HZ       LYS 104   1.209   8.680 -13.690
  775    H    TYR 105           H        TYR 105   5.667   9.363  -8.003
  776    HA   TYR 105           HA       TYR 105   4.814  12.115  -7.700
  777   1HB   TYR 105          2HB       TYR 105   4.735   9.681  -5.920
  778   2HB   TYR 105          1HB       TYR 105   4.104  11.259  -5.456
  779    HD1  TYR 105           1HD      TYR 105   2.221  12.221  -6.621
  780    HD2  TYR 105           2HD      TYR 105   3.627   8.354  -7.674
  781    HE1  TYR 105           1HE      TYR 105   0.149  11.823  -7.923
  782    HE2  TYR 105           2HE      TYR 105   1.556   7.912  -8.942
  783    HH   TYR 105           HH       TYR 105  -1.026   9.065  -8.687
  784    H    GLY 106           H        GLY 106   7.649  10.255  -7.023
  785   1HA   GLY 106          2HA       GLY 106   8.541  12.250  -5.012
  786   2HA   GLY 106          1HA       GLY 106   9.214  10.655  -5.203
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1   0.345 -43.128   9.397
    2   2H    ALA   1          2HT       ALA   1  -0.346 -41.657   9.894
    3   3H    ALA   1          3HT       ALA   1   0.812 -41.678   8.650
    4    HA   ALA   1           HA       ALA   1  -0.905 -41.680   7.252
    5   1HB   ALA   1          1HB       ALA   1  -1.872 -43.935   6.854
    6   2HB   ALA   1          2HB       ALA   1  -1.175 -44.483   8.379
    7   3HB   ALA   1          3HB       ALA   1  -0.120 -43.995   7.054
    8    H    ASP   2           H        ASP   2  -3.155 -41.401   6.982
    9    HA   ASP   2           HA       ASP   2  -4.580 -40.794   9.429
   10   1HB   ASP   2          2HB       ASP   2  -6.434 -40.256   7.639
   11   2HB   ASP   2          1HB       ASP   2  -5.031 -39.204   7.790
   12    H    LEU   3           H        LEU   3  -6.469 -41.742  10.151
   13    HA   LEU   3           HA       LEU   3  -6.892 -44.522   9.273
   14   1HB   LEU   3          2HB       LEU   3  -8.333 -43.340  11.628
   15   2HB   LEU   3          1HB       LEU   3  -7.693 -44.967  11.404
   16    HG   LEU   3           HG       LEU   3  -6.048 -42.465  11.880
   17   1HD1  LEU   3          1HD1      LEU   3  -6.602 -44.863  13.649
   18   2HD1  LEU   3          2HD1      LEU   3  -7.309 -43.260  13.855
   19   3HD1  LEU   3          3HD1      LEU   3  -5.572 -43.491  14.056
   20   1HD2  LEU   3          1HD2      LEU   3  -4.815 -44.038  10.491
   21   2HD2  LEU   3          2HD2      LEU   3  -5.290 -45.384  11.526
   22   3HD2  LEU   3          3HD2      LEU   3  -4.187 -44.149  12.135
   23    H    GLU   4           H        GLU   4  -8.227 -41.391   8.999
   24    HA   GLU   4           HA       GLU   4 -10.486 -42.409   7.498
   25   1HB   GLU   4          2HB       GLU   4 -12.127 -41.126   8.957
   26   2HB   GLU   4          1HB       GLU   4 -11.485 -42.617   9.646
   27   1HG   GLU   4          2HG       GLU   4  -9.895 -41.401  10.991
   28   2HG   GLU   4          1HG       GLU   4 -10.298 -39.884  10.186
   29    H    ASP   5           H        ASP   5  -8.724 -41.008   6.249
   30    HA   ASP   5           HA       ASP   5  -9.166 -38.136   6.479
   31   1HB   ASP   5          2HB       ASP   5  -7.636 -38.106   4.438
   32   2HB   ASP   5          1HB       ASP   5  -6.936 -38.734   5.928
   33    H    ASN   6           H        ASN   6 -10.927 -37.246   5.618
   34    HA   ASN   6           HA       ASN   6 -11.669 -37.806   2.876
   35   1HB   ASN   6          2HB       ASN   6 -13.992 -38.434   3.403
   36   2HB   ASN   6          1HB       ASN   6 -12.848 -39.614   4.039
   37   1HD2  ASN   6          1HD2      ASN   6 -12.435 -39.578   6.400
   38   2HD2  ASN   6          2HD2      ASN   6 -13.558 -38.856   7.450
   39    H    ASP   7           H        ASP   7 -12.073 -35.879   2.033
   40    HA   ASP   7           HA       ASP   7 -12.462 -33.599   1.938
   41   1HB   ASP   7          2HB       ASP   7 -14.780 -33.029   2.513
   42   2HB   ASP   7          1HB       ASP   7 -14.701 -34.569   1.658
   43    H    GLU   8           H        GLU   8 -10.644 -33.282   3.519
   44    HA   GLU   8           HA       GLU   8 -11.198 -32.813   6.273
   45   1HB   GLU   8          2HB       GLU   8  -8.969 -31.716   6.285
   46   2HB   GLU   8          1HB       GLU   8  -8.933 -33.307   5.520
   47   1HG   GLU   8          2HG       GLU   8  -9.209 -32.156   3.295
   48   2HG   GLU   8          1HG       GLU   8  -9.010 -30.617   4.129
   49    H    THR   9           H        THR   9 -11.599 -30.890   7.368
   50    HA   THR   9           HA       THR   9 -11.724 -28.366   5.920
   51    HB   THR   9           HB       THR   9 -14.104 -27.981   6.584
   52    HG1  THR   9           1HG      THR   9 -14.839 -29.380   7.948
   53   1HG2  THR   9          1HG2      THR   9 -15.030 -29.126   4.717
   54   2HG2  THR   9          2HG2      THR   9 -13.867 -30.444   4.851
   55   3HG2  THR   9          3HG2      THR   9 -13.339 -28.855   4.299
   56    H    GLY  10           H        GLY  10 -13.558 -29.304   8.780
   57   1HA   GLY  10          2HA       GLY  10 -12.377 -27.203  10.344
   58   2HA   GLY  10          1HA       GLY  10 -13.546 -28.396  10.906
   59    H    ASN  11           H        ASN  11 -11.728 -30.561   9.813
   60    HA   ASN  11           HA       ASN  11 -10.159 -30.898  12.241
   61   1HB   ASN  11          2HB       ASN  11 -10.678 -32.663   9.844
   62   2HB   ASN  11          1HB       ASN  11  -9.612 -33.124  11.170
   63   1HD2  ASN  11          1HD2      ASN  11 -12.415 -31.153  11.925
   64   2HD2  ASN  11          2HD2      ASN  11 -13.321 -32.388  12.655
   65    H    ASP  12           H        ASP  12  -8.423 -29.516  12.167
   66    HA   ASP  12           HA       ASP  12  -6.821 -29.122   9.828
   67   1HB   ASP  12          2HB       ASP  12  -6.197 -28.539  12.733
   68   2HB   ASP  12          1HB       ASP  12  -5.307 -27.919  11.343
   69    H    ASN  13           H        ASN  13  -4.539 -29.457  12.104
   70    HA   ASN  13           HA       ASN  13  -4.113 -32.317  12.008
   71   1HB   ASN  13          2HB       ASN  13  -3.343 -31.494   9.751
   72   2HB   ASN  13          1HB       ASN  13  -2.120 -30.540  10.587
   73   1HD2  ASN  13          1HD2      ASN  13  -0.957 -32.076  12.410
   74   2HD2  ASN  13          2HD2      ASN  13  -0.415 -33.555  11.781
   75    H    GLY  14           H        GLY  14  -2.380 -29.215  12.422
   76   1HA   GLY  14          2HA       GLY  14  -2.009 -28.858  14.984
   77   2HA   GLY  14          1HA       GLY  14  -1.013 -30.300  14.799
   78    H    LYS  15           H        LYS  15  -1.383 -26.923  13.869
   79    HA   LYS  15           HA       LYS  15   1.491 -26.622  13.682
   80   1HB   LYS  15          2HB       LYS  15   1.275 -25.597  11.342
   81   2HB   LYS  15          1HB       LYS  15   1.207 -27.357  11.444
   82   1HG   LYS  15          2HG       LYS  15  -1.202 -27.341  11.323
   83   2HG   LYS  15          1HG       LYS  15  -1.245 -25.582  11.419
   84   1HD   LYS  15          2HD       LYS  15  -0.670 -25.304   9.202
   85   2HD   LYS  15          1HD       LYS  15   0.426 -26.683   9.203
   86   1HE   LYS  15          2HE       LYS  15  -1.544 -27.094   7.765
   87   2HE   LYS  15          1HE       LYS  15  -1.474 -28.225   9.118
   88   1HZ   LYS  15          1HZ       LYS  15  -3.259 -27.288  10.122
   89   2HZ   LYS  15          2HZ       LYS  15  -3.658 -26.900   8.516
   90   3HZ   LYS  15          3HZ       LYS  15  -2.941 -25.734   9.522
   91    H    GLY  16           H        GLY  16   0.258 -25.403  15.561
   92   1HA   GLY  16          2HA       GLY  16  -0.530 -22.696  14.626
   93   2HA   GLY  16          1HA       GLY  16  -1.017 -23.420  16.156
   94    H    GLY  17           H        GLY  17   2.222 -23.486  14.746
   95   1HA   GLY  17          2HA       GLY  17   3.314 -22.322  17.199
   96   2HA   GLY  17          1HA       GLY  17   4.230 -23.059  15.889
   97    H    GLU  18           H        GLU  18   2.205 -21.193  14.245
   98    HA   GLU  18           HA       GLU  18   2.384 -19.185  13.147
   99   1HB   GLU  18          2HB       GLU  18   2.011 -18.375  15.521
  100   2HB   GLU  18          1HB       GLU  18   3.759 -18.181  15.645
  101   1HG   GLU  18          2HG       GLU  18   3.737 -16.658  13.709
  102   2HG   GLU  18          1HG       GLU  18   1.990 -16.857  13.569
  103    H    LYS  19           H        LYS  19   3.796 -18.127  11.791
  104    HA   LYS  19           HA       LYS  19   6.591 -19.066  11.886
  105   1HB   LYS  19          2HB       LYS  19   4.789 -19.195   9.825
  106   2HB   LYS  19          1HB       LYS  19   5.571 -17.677   9.461
  107   1HG   LYS  19          2HG       LYS  19   6.723 -19.496   8.304
  108   2HG   LYS  19          1HG       LYS  19   7.785 -18.761   9.495
  109   1HD   LYS  19          2HD       LYS  19   7.646 -21.392   9.275
  110   2HD   LYS  19          1HD       LYS  19   7.778 -20.665  10.864
  111   1HE   LYS  19          2HE       LYS  19   6.041 -22.464  10.722
  112   2HE   LYS  19          1HE       LYS  19   5.367 -20.916  11.222
  113   1HZ   LYS  19          1HZ       LYS  19   4.075 -20.889   9.435
  114   2HZ   LYS  19          2HZ       LYS  19   4.587 -22.469   9.078
  115   3HZ   LYS  19          3HZ       LYS  19   5.391 -21.138   8.394
  116    H    ALA  20           H        ALA  20   8.206 -17.535  10.966
  117    HA   ALA  20           HA       ALA  20   7.691 -14.703  11.250
  118   1HB   ALA  20          1HB       ALA  20   7.978 -15.367  13.604
  119   2HB   ALA  20          2HB       ALA  20   9.318 -14.359  13.059
  120   3HB   ALA  20          3HB       ALA  20   9.530 -16.104  13.205
  121    H    ASP  21           H        ASP  21   8.606 -16.456   9.163
  122    HA   ASP  21           HA       ASP  21  11.086 -15.095   8.492
  123   1HB   ASP  21          2HB       ASP  21  11.837 -17.077   9.773
  124   2HB   ASP  21          1HB       ASP  21  11.004 -18.114   8.616
  125    H    ASN  22           H        ASN  22   8.367 -17.121   7.587
  126    HA   ASN  22           HA       ASN  22   9.076 -16.895   4.729
  127   1HB   ASN  22          2HB       ASN  22   8.502 -19.134   5.484
  128   2HB   ASN  22          1HB       ASN  22   7.006 -18.562   6.184
  129   1HD2  ASN  22          1HD2      ASN  22   8.690 -19.087   3.083
  130   2HD2  ASN  22          2HD2      ASN  22   7.277 -19.122   2.145
  131    H    ALA  23           H        ALA  23   5.863 -17.435   5.430
  132    HA   ALA  23           HA       ALA  23   4.928 -15.130   4.063
  133   1HB   ALA  23          1HB       ALA  23   2.686 -15.939   5.029
  134   2HB   ALA  23          2HB       ALA  23   3.617 -17.254   5.752
  135   3HB   ALA  23          3HB       ALA  23   3.568 -17.067   3.998
  136    H    ALA  24           H        ALA  24   5.414 -15.882   7.465
  137    HA   ALA  24           HA       ALA  24   3.885 -13.766   8.559
  138   1HB   ALA  24          1HB       ALA  24   4.525 -15.463  10.069
  139   2HB   ALA  24          2HB       ALA  24   5.518 -14.082  10.534
  140   3HB   ALA  24          3HB       ALA  24   6.214 -15.388   9.573
  141    H    GLN  25           H        GLN  25   7.394 -14.033   7.977
  142    HA   GLN  25           HA       GLN  25   8.138 -11.445   8.678
  143   1HB   GLN  25          2HB       GLN  25   9.756 -13.175   8.290
  144   2HB   GLN  25          1HB       GLN  25   9.227 -13.357   6.617
  145   1HG   GLN  25          2HG       GLN  25  10.185 -11.317   5.956
  146   2HG   GLN  25          1HG       GLN  25  10.248 -10.700   7.605
  147   1HE2  GLN  25          1HE2      GLN  25  11.345 -14.004   6.782
  148   2HE2  GLN  25          2HE2      GLN  25  12.987 -13.691   7.074
  149    H    VAL  26           H        VAL  26   6.866 -12.734   5.651
  150    HA   VAL  26           HA       VAL  26   7.244 -10.491   4.001
  151    HB   VAL  26           HB       VAL  26   5.344 -12.822   4.019
  152   1HG1  VAL  26          1HG1      VAL  26   4.527 -11.951   1.747
  153   2HG1  VAL  26          2HG1      VAL  26   5.132 -10.375   2.260
  154   3HG1  VAL  26          3HG1      VAL  26   3.855 -11.172   3.181
  155   1HG2  VAL  26          1HG2      VAL  26   7.386 -11.792   2.032
  156   2HG2  VAL  26          2HG2      VAL  26   6.459 -13.283   1.877
  157   3HG2  VAL  26          3HG2      VAL  26   7.635 -13.110   3.180
  158    H    LYS  27           H        LYS  27   4.179 -11.510   5.504
  159    HA   LYS  27           HA       LYS  27   2.556  -9.424   5.099
  160   1HB   LYS  27          2HB       LYS  27   2.975 -10.930   7.672
  161   2HB   LYS  27          1HB       LYS  27   1.634  -9.813   7.416
  162   1HG   LYS  27          2HG       LYS  27   0.756 -11.125   5.628
  163   2HG   LYS  27          1HG       LYS  27   2.223 -12.096   5.526
  164   1HD   LYS  27          2HD       LYS  27   0.391 -13.310   6.683
  165   2HD   LYS  27          1HD       LYS  27   1.778 -13.049   7.739
  166   1HE   LYS  27          2HE       LYS  27  -0.570 -12.533   8.696
  167   2HE   LYS  27          1HE       LYS  27   0.694 -11.327   8.937
  168   1HZ   LYS  27          1HZ       LYS  27  -0.122 -10.138   6.998
  169   2HZ   LYS  27          2HZ       LYS  27  -1.350 -10.313   8.158
  170   3HZ   LYS  27          3HZ       LYS  27  -1.339 -11.297   6.772
  171    H    ASP  28           H        ASP  28   4.667  -9.496   7.983
  172    HA   ASP  28           HA       ASP  28   4.197  -6.882   8.818
  173   1HB   ASP  28          2HB       ASP  28   6.798  -8.415   9.050
  174   2HB   ASP  28          1HB       ASP  28   6.290  -7.057  10.053
  175    H    ALA  29           H        ALA  29   6.327  -8.116   6.323
  176    HA   ALA  29           HA       ALA  29   7.779  -5.676   5.948
  177   1HB   ALA  29          1HB       ALA  29   7.489  -7.840   3.876
  178   2HB   ALA  29          2HB       ALA  29   8.494  -8.062   5.307
  179   3HB   ALA  29          3HB       ALA  29   8.857  -6.765   4.169
  180    H    LEU  30           H        LEU  30   4.676  -6.806   4.874
  181    HA   LEU  30           HA       LEU  30   4.601  -5.065   2.548
  182   1HB   LEU  30          2HB       LEU  30   2.333  -6.521   3.920
  183   2HB   LEU  30          1HB       LEU  30   2.295  -5.799   2.315
  184    HG   LEU  30           HG       LEU  30   4.166  -8.045   3.133
  185   1HD1  LEU  30          1HD1      LEU  30   2.694  -9.536   1.973
  186   2HD1  LEU  30          2HD1      LEU  30   1.703  -8.199   1.390
  187   3HD1  LEU  30          3HD1      LEU  30   1.705  -8.614   3.102
  188   1HD2  LEU  30          1HD2      LEU  30   4.233  -8.221   0.529
  189   2HD2  LEU  30          2HD2      LEU  30   5.181  -6.957   1.301
  190   3HD2  LEU  30          3HD2      LEU  30   3.631  -6.564   0.556
  191    H    THR  31           H        THR  31   3.018  -5.132   5.749
  192    HA   THR  31           HA       THR  31   1.655  -2.684   5.439
  193    HB   THR  31           HB       THR  31   1.107  -4.243   7.238
  194    HG1  THR  31           1HG      THR  31   0.693  -2.680   8.647
  195   1HG2  THR  31          1HG2      THR  31   3.467  -4.978   7.643
  196   2HG2  THR  31          2HG2      THR  31   2.602  -4.572   9.126
  197   3HG2  THR  31          3HG2      THR  31   3.764  -3.434   8.443
  198    H    LYS  32           H        LYS  32   4.947  -3.486   6.136
  199    HA   LYS  32           HA       LYS  32   5.929  -1.233   7.401
  200   1HB   LYS  32          2HB       LYS  32   7.285  -3.228   6.791
  201   2HB   LYS  32          1HB       LYS  32   7.250  -2.716   5.107
  202   1HG   LYS  32          2HG       LYS  32   8.166  -0.628   7.037
  203   2HG   LYS  32          1HG       LYS  32   9.237  -2.016   6.878
  204   1HD   LYS  32          2HD       LYS  32   9.427  -1.686   4.489
  205   2HD   LYS  32          1HD       LYS  32   8.198  -0.424   4.515
  206   1HE   LYS  32          2HE       LYS  32  10.599   0.406   4.454
  207   2HE   LYS  32          1HE       LYS  32   9.611   1.052   5.765
  208   1HZ   LYS  32          1HZ       LYS  32  11.536  -1.201   5.953
  209   2HZ   LYS  32          2HZ       LYS  32  10.526  -0.682   7.216
  210   3HZ   LYS  32          3HZ       LYS  32  11.733   0.349   6.612
  211    H    MET  33           H        MET  33   5.594  -1.746   3.887
  212    HA   MET  33           HA       MET  33   6.259   0.905   3.142
  213   1HB   MET  33          2HB       MET  33   4.637  -1.243   1.758
  214   2HB   MET  33          1HB       MET  33   5.021   0.308   1.010
  215   1HG   MET  33          2HG       MET  33   7.446  -0.154   1.394
  216   2HG   MET  33          1HG       MET  33   7.012  -1.749   2.009
  217   1HE   MET  33          1HE       MET  33   5.959  -3.826  -0.856
  218   2HE   MET  33          2HE       MET  33   5.328  -3.280   0.696
  219   3HE   MET  33          3HE       MET  33   7.014  -3.775   0.563
  220    H    ARG  34           H        ARG  34   3.075  -0.712   3.260
  221    HA   ARG  34           HA       ARG  34   1.295   1.242   2.814
  222   1HB   ARG  34          2HB       ARG  34   0.877  -1.121   3.705
  223   2HB   ARG  34          1HB       ARG  34   1.072  -0.432   5.315
  224   1HG   ARG  34          2HG       ARG  34  -0.801   1.019   5.032
  225   2HG   ARG  34          1HG       ARG  34  -0.886   0.687   3.301
  226   1HD   ARG  34          2HD       ARG  34  -1.593  -1.572   3.681
  227   2HD   ARG  34          1HD       ARG  34  -1.231  -1.465   5.402
  228    HE   ARG  34           HE       ARG  34  -3.276  -0.391   5.710
  229   1HH1  ARG  34          1HH2      ARG  34  -2.390  -0.487   2.366
  230   2HH1  ARG  34          2HH2      ARG  34  -3.917   0.104   1.802
  231   1HH2  ARG  34          1HH1      ARG  34  -5.281   0.385   4.976
  232   2HH2  ARG  34          2HH1      ARG  34  -5.553   0.598   3.279
  233    H    ALA  35           H        ALA  35   2.478   0.717   6.146
  234    HA   ALA  35           HA       ALA  35   1.448   3.099   7.203
  235   1HB   ALA  35          1HB       ALA  35   2.991   2.731   9.069
  236   2HB   ALA  35          2HB       ALA  35   3.896   1.563   8.107
  237   3HB   ALA  35          3HB       ALA  35   2.235   1.213   8.586
  238    H    ALA  36           H        ALA  36   4.350   2.474   5.376
  239    HA   ALA  36           HA       ALA  36   5.716   4.886   6.069
  240   1HB   ALA  36          1HB       ALA  36   6.664   2.715   4.984
  241   2HB   ALA  36          2HB       ALA  36   7.317   4.270   4.477
  242   3HB   ALA  36          3HB       ALA  36   6.139   3.437   3.463
  243    H    ALA  37           H        ALA  37   3.832   3.895   3.207
  244    HA   ALA  37           HA       ALA  37   3.942   6.354   1.857
  245   1HB   ALA  37          1HB       ALA  37   1.540   4.529   1.785
  246   2HB   ALA  37          2HB       ALA  37   3.065   4.073   1.028
  247   3HB   ALA  37          3HB       ALA  37   2.211   5.518   0.486
  248    H    LEU  38           H        LEU  38   1.572   5.066   4.166
  249    HA   LEU  38           HA       LEU  38  -0.150   7.324   4.143
  250   1HB   LEU  38          2HB       LEU  38  -0.464   4.905   5.152
  251   2HB   LEU  38          1HB       LEU  38   0.214   5.625   6.607
  252    HG   LEU  38           HG       LEU  38  -2.175   6.749   5.107
  253   1HD1  LEU  38          1HD1      LEU  38  -3.561   5.731   6.806
  254   2HD1  LEU  38          2HD1      LEU  38  -2.143   5.142   7.676
  255   3HD1  LEU  38          3HD1      LEU  38  -2.554   4.467   6.098
  256   1HD2  LEU  38          1HD2      LEU  38  -0.802   7.395   7.726
  257   2HD2  LEU  38          2HD2      LEU  38  -2.473   7.864   7.419
  258   3HD2  LEU  38          3HD2      LEU  38  -1.181   8.487   6.394
  259    H    ASP  39           H        ASP  39   2.229   6.342   6.601
  260    HA   ASP  39           HA       ASP  39   2.193   8.601   8.186
  261   1HB   ASP  39          2HB       ASP  39   3.422   6.594   8.797
  262   2HB   ASP  39          1HB       ASP  39   4.539   6.833   7.455
  263    H    ALA  40           H        ALA  40   4.373   7.978   5.434
  264    HA   ALA  40           HA       ALA  40   5.674  10.460   5.479
  265   1HB   ALA  40          1HB       ALA  40   6.588   9.870   3.399
  266   2HB   ALA  40          2HB       ALA  40   5.184   8.900   2.955
  267   3HB   ALA  40          3HB       ALA  40   6.298   8.327   4.196
  268    H    GLN  41           H        GLN  41   2.716   9.467   3.795
  269    HA   GLN  41           HA       GLN  41   2.382  11.604   2.101
  270   1HB   GLN  41          2HB       GLN  41   0.648  10.167   1.714
  271   2HB   GLN  41          1HB       GLN  41   0.615   9.629   3.383
  272   1HG   GLN  41          2HG       GLN  41  -0.434  12.384   3.093
  273   2HG   GLN  41          1HG       GLN  41  -1.305  11.248   2.154
  274   1HE2  GLN  41          1HE2      GLN  41   0.226  10.741   5.350
  275   2HE2  GLN  41          2HE2      GLN  41  -1.222  10.314   6.122
  276    H    LYS  42           H        LYS  42   1.403  11.490   5.558
  277    HA   LYS  42           HA       LYS  42   1.692  14.422   5.607
  278   1HB   LYS  42          2HB       LYS  42  -0.897  12.962   5.801
  279   2HB   LYS  42          1HB       LYS  42  -0.679  14.282   6.942
  280   1HG   LYS  42          2HG       LYS  42  -0.140  15.813   5.081
  281   2HG   LYS  42          1HG       LYS  42  -0.374  14.507   3.931
  282   1HD   LYS  42          2HD       LYS  42  -2.477  15.691   5.768
  283   2HD   LYS  42          1HD       LYS  42  -2.389  15.863   4.017
  284   1HE   LYS  42          2HE       LYS  42  -3.955  14.154   4.214
  285   2HE   LYS  42          1HE       LYS  42  -2.468  13.226   4.045
  286   1HZ   LYS  42          1HZ       LYS  42  -2.842  13.898   6.752
  287   2HZ   LYS  42          2HZ       LYS  42  -2.804  12.356   6.038
  288   3HZ   LYS  42          3HZ       LYS  42  -4.273  13.200   6.164
  289    H    ALA  43           H        ALA  43   3.410  12.761   6.743
  290    HA   ALA  43           HA       ALA  43   3.117  13.498   9.553
  291   1HB   ALA  43          1HB       ALA  43   2.256  10.992   8.991
  292   2HB   ALA  43          2HB       ALA  43   3.018  11.421  10.520
  293   3HB   ALA  43          3HB       ALA  43   3.967  10.660   9.247
  294    H    THR  44           H        THR  44   5.156  11.533   7.366
  295    HA   THR  44           HA       THR  44   7.538  12.866   8.505
  296    HB   THR  44           HB       THR  44   7.300  10.218   7.076
  297    HG1  THR  44           1HG      THR  44   6.579  10.641   9.389
  298   1HG2  THR  44          1HG2      THR  44   9.627  11.788   8.165
  299   2HG2  THR  44          2HG2      THR  44   9.456  11.031   6.581
  300   3HG2  THR  44          3HG2      THR  44   9.693  10.032   8.013
  301    HA   PRO  45           HA       PRO  45   6.826  14.980   4.370
  302   1HB   PRO  45          2HB       PRO  45   9.174  16.270   5.741
  303   2HB   PRO  45          1HB       PRO  45   7.954  17.013   4.681
  304   1HG   PRO  45          2HG       PRO  45   7.736  17.217   7.313
  305   2HG   PRO  45          1HG       PRO  45   6.303  16.937   6.305
  306   1HD   PRO  45          2HD       PRO  45   7.668  15.067   8.162
  307   2HD   PRO  45          1HD       PRO  45   5.991  15.036   7.581
  308    HA   PRO  46           HA       PRO  46  10.311  12.264   3.047
  309   1HB   PRO  46          2HB       PRO  46   9.153  11.095   0.943
  310   2HB   PRO  46          1HB       PRO  46   8.617  10.707   2.589
  311   1HG   PRO  46          2HG       PRO  46   7.390  12.599   0.618
  312   2HG   PRO  46          1HG       PRO  46   6.607  11.355   1.598
  313   1HD   PRO  46          2HD       PRO  46   6.694  14.014   2.317
  314   2HD   PRO  46          1HD       PRO  46   6.555  12.691   3.501
  315    H    LYS  47           H        LYS  47   9.010  12.548  -0.080
  316    HA   LYS  47           HA       LYS  47  11.274  14.004  -1.041
  317   1HB   LYS  47          2HB       LYS  47   8.865  12.681  -2.223
  318   2HB   LYS  47          1HB       LYS  47   9.669  13.897  -3.212
  319   1HG   LYS  47          2HG       LYS  47  11.273  11.719  -1.872
  320   2HG   LYS  47          1HG       LYS  47  10.448  11.409  -3.400
  321   1HD   LYS  47          2HD       LYS  47  11.743  12.961  -4.580
  322   2HD   LYS  47          1HD       LYS  47  12.166  13.867  -3.126
  323   1HE   LYS  47          2HE       LYS  47  13.103  11.028  -3.619
  324   2HE   LYS  47          1HE       LYS  47  14.035  12.439  -4.117
  325   1HZ   LYS  47          1HZ       LYS  47  13.753  11.292  -1.531
  326   2HZ   LYS  47          2HZ       LYS  47  13.307  12.932  -1.516
  327   3HZ   LYS  47          3HZ       LYS  47  14.847  12.472  -2.068
  328    H    LEU  48           H        LEU  48   8.183  14.842   0.096
  329    HA   LEU  48           HA       LEU  48   7.933  17.313  -1.368
  330   1HB   LEU  48          2HB       LEU  48   6.482  16.835   1.217
  331   2HB   LEU  48          1HB       LEU  48   5.921  17.646  -0.249
  332    HG   LEU  48           HG       LEU  48   6.390  14.665   0.097
  333   1HD1  LEU  48          1HD1      LEU  48   3.873  14.686  -0.471
  334   2HD1  LEU  48          2HD1      LEU  48   3.928  16.405  -0.081
  335   3HD1  LEU  48          3HD1      LEU  48   4.341  15.209   1.147
  336   1HD2  LEU  48          1HD2      LEU  48   6.952  15.118  -2.156
  337   2HD2  LEU  48          2HD2      LEU  48   5.710  16.358  -2.310
  338   3HD2  LEU  48          3HD2      LEU  48   5.252  14.658  -2.230
  339    H    GLU  49           H        GLU  49  10.414  17.392  -0.486
  340    HA   GLU  49           HA       GLU  49  10.777  18.582   2.077
  341   1HB   GLU  49          2HB       GLU  49  12.586  17.464   0.761
  342   2HB   GLU  49          1HB       GLU  49  12.555  18.823  -0.362
  343   1HG   GLU  49          2HG       GLU  49  13.124  20.370   1.443
  344   2HG   GLU  49          1HG       GLU  49  13.070  19.056   2.616
  345    H    ASP  50           H        ASP  50  10.091  19.826  -1.140
  346    HA   ASP  50           HA       ASP  50   9.296  22.376  -0.028
  347   1HB   ASP  50          2HB       ASP  50  11.766  22.619  -0.306
  348   2HB   ASP  50          1HB       ASP  50  11.562  22.316  -2.030
  349    H    LYS  51           H        LYS  51   7.641  20.639  -1.224
  350    HA   LYS  51           HA       LYS  51   6.796  22.113  -3.568
  351   1HB   LYS  51          2HB       LYS  51   6.624  20.036  -4.980
  352   2HB   LYS  51          1HB       LYS  51   8.269  20.599  -4.702
  353   1HG   LYS  51          2HG       LYS  51   8.538  18.969  -2.883
  354   2HG   LYS  51          1HG       LYS  51   6.887  18.404  -3.132
  355   1HD   LYS  51          2HD       LYS  51   8.808  18.400  -5.457
  356   2HD   LYS  51          1HD       LYS  51   8.909  17.116  -4.254
  357   1HE   LYS  51          2HE       LYS  51   6.239  17.808  -5.465
  358   2HE   LYS  51          1HE       LYS  51   7.366  16.782  -6.345
  359   1HZ   LYS  51          1HZ       LYS  51   6.605  15.116  -5.122
  360   2HZ   LYS  51          2HZ       LYS  51   5.739  16.159  -4.099
  361   3HZ   LYS  51          3HZ       LYS  51   7.372  15.815  -3.781
  362    H    SER  52           H        SER  52   5.502  22.126  -1.308
  363    HA   SER  52           HA       SER  52   3.727  20.209  -0.497
  364   1HB   SER  52          2HB       SER  52   4.138  22.885   0.004
  365   2HB   SER  52          1HB       SER  52   2.525  22.902  -0.689
  366    HG   SER  52           HG       SER  52   2.724  22.527   1.657
  367    HA   PRO  53           HA       PRO  53   0.427  19.458  -3.311
  368   1HB   PRO  53          2HB       PRO  53  -1.507  21.280  -1.933
  369   2HB   PRO  53          1HB       PRO  53  -1.674  19.559  -2.341
  370   1HG   PRO  53          2HG       PRO  53  -1.193  20.299   0.151
  371   2HG   PRO  53          1HG       PRO  53  -0.385  18.877  -0.537
  372   1HD   PRO  53          2HD       PRO  53   0.718  21.630  -0.075
  373   2HD   PRO  53          1HD       PRO  53   1.500  20.052   0.167
  374    H    ASP  54           H        ASP  54   2.094  21.615  -4.090
  375    HA   ASP  54           HA       ASP  54   0.310  23.503  -5.501
  376   1HB   ASP  54          2HB       ASP  54   2.197  24.437  -4.179
  377   2HB   ASP  54          1HB       ASP  54   3.324  23.534  -5.192
  378    H    SER  55           H        SER  55   3.396  21.877  -6.199
  379    HA   SER  55           HA       SER  55   2.914  21.738  -9.023
  380   1HB   SER  55          2HB       SER  55   4.940  19.899  -7.832
  381   2HB   SER  55          1HB       SER  55   5.125  21.106  -9.112
  382    HG   SER  55           HG       SER  55   4.788  22.639  -7.233
  383    HA   PRO  56           HA       PRO  56   1.048  17.744  -9.568
  384   1HB   PRO  56          2HB       PRO  56   3.609  16.326 -10.204
  385   2HB   PRO  56          1HB       PRO  56   2.108  16.421 -11.147
  386   1HG   PRO  56          2HG       PRO  56   4.233  17.815 -11.879
  387   2HG   PRO  56          1HG       PRO  56   2.613  18.531 -11.977
  388   1HD   PRO  56          2HD       PRO  56   4.746  18.982  -9.916
  389   2HD   PRO  56          1HD       PRO  56   3.658  20.167 -10.673
  390    H    GLU  57           H        GLU  57   2.719  18.367  -6.956
  391    HA   GLU  57           HA       GLU  57   3.628  16.084  -5.721
  392   1HB   GLU  57          2HB       GLU  57   3.805  18.146  -4.535
  393   2HB   GLU  57          1HB       GLU  57   2.071  18.437  -4.631
  394   1HG   GLU  57          2HG       GLU  57   1.603  16.656  -3.077
  395   2HG   GLU  57          1HG       GLU  57   3.267  16.081  -3.146
  396    H    MET  58           H        MET  58   0.314  17.348  -5.389
  397    HA   MET  58           HA       MET  58  -0.904  15.195  -4.178
  398   1HB   MET  58          2HB       MET  58  -2.128  16.865  -6.385
  399   2HB   MET  58          1HB       MET  58  -2.982  15.989  -5.115
  400   1HG   MET  58          2HG       MET  58  -1.992  17.413  -3.402
  401   2HG   MET  58          1HG       MET  58  -1.010  18.245  -4.607
  402   1HE   MET  58          1HE       MET  58  -1.744  19.400  -6.482
  403   2HE   MET  58          2HE       MET  58  -3.165  20.433  -6.573
  404   3HE   MET  58          3HE       MET  58  -3.261  18.767  -7.135
  405    H    LYS  59           H        LYS  59  -0.678  15.776  -7.690
  406    HA   LYS  59           HA       LYS  59  -1.832  13.437  -8.611
  407   1HB   LYS  59          2HB       LYS  59   0.534  14.956  -9.735
  408   2HB   LYS  59          1HB       LYS  59  -0.271  13.647 -10.588
  409   1HG   LYS  59          2HG       LYS  59  -1.949  15.914  -9.528
  410   2HG   LYS  59          1HG       LYS  59  -0.998  16.179 -10.986
  411   1HD   LYS  59          2HD       LYS  59  -2.071  14.258 -12.066
  412   2HD   LYS  59          1HD       LYS  59  -2.979  13.914 -10.593
  413   1HE   LYS  59          2HE       LYS  59  -4.221  15.950 -10.771
  414   2HE   LYS  59          1HE       LYS  59  -3.152  16.571 -12.028
  415   1HZ   LYS  59          1HZ       LYS  59  -3.880  14.578 -13.369
  416   2HZ   LYS  59          2HZ       LYS  59  -5.046  15.791 -13.134
  417   3HZ   LYS  59          3HZ       LYS  59  -5.108  14.359 -12.222
  418    H    ASP  60           H        ASP  60   1.344  13.948  -7.217
  419    HA   ASP  60           HA       ASP  60   2.265  11.261  -7.816
  420   1HB   ASP  60          2HB       ASP  60   3.736  13.324  -7.666
  421   2HB   ASP  60          1HB       ASP  60   3.537  13.227  -5.919
  422    H    PHE  61           H        PHE  61   1.133  13.049  -4.940
  423    HA   PHE  61           HA       PHE  61   1.480  10.811  -3.178
  424   1HB   PHE  61          2HB       PHE  61   1.350  12.759  -1.897
  425   2HB   PHE  61          1HB       PHE  61   0.165  13.508  -2.963
  426    HD1  PHE  61           1HD      PHE  61  -1.686  14.033  -1.573
  427    HD2  PHE  61           2HD      PHE  61   0.107  10.150  -1.308
  428    HE1  PHE  61           1HE      PHE  61  -3.556  13.279  -0.144
  429    HE2  PHE  61           2HE      PHE  61  -1.763   9.390   0.135
  430    HZ   PHE  61           HZ       PHE  61  -3.598  10.954   0.712
  431    H    ARG  62           H        ARG  62  -1.423  12.418  -4.452
  432    HA   ARG  62           HA       ARG  62  -3.368  10.659  -3.756
  433   1HB   ARG  62          2HB       ARG  62  -3.173  11.880  -6.522
  434   2HB   ARG  62          1HB       ARG  62  -4.641  11.380  -5.688
  435   1HG   ARG  62          2HG       ARG  62  -2.847  13.436  -4.402
  436   2HG   ARG  62          1HG       ARG  62  -3.941  13.924  -5.688
  437   1HD   ARG  62          2HD       ARG  62  -4.905  12.337  -3.312
  438   2HD   ARG  62          1HD       ARG  62  -4.781  14.093  -3.269
  439    HE   ARG  62           HE       ARG  62  -6.242  13.092  -5.556
  440   1HH1  ARG  62          1HH2      ARG  62  -6.368  14.010  -2.219
  441   2HH1  ARG  62          2HH2      ARG  62  -8.058  14.390  -2.247
  442   1HH2  ARG  62          1HH1      ARG  62  -8.458  13.588  -5.596
  443   2HH2  ARG  62          2HH1      ARG  62  -9.240  14.152  -4.157
  444    H    HIS  63           H        HIS  63  -1.294  10.354  -6.656
  445    HA   HIS  63           HA       HIS  63  -2.404   7.752  -7.233
  446   1HB   HIS  63          2HB       HIS  63  -1.429   9.439  -8.916
  447   2HB   HIS  63          1HB       HIS  63   0.146   8.843  -8.404
  448    HD1  HIS  63           1HD      HIS  63  -2.205   6.133  -8.171
  449    HD2  HIS  63           2HD      HIS  63  -0.025   7.852 -11.276
  450    HE1  HIS  63           1HE      HIS  63  -2.172   4.432 -10.047
  451    HE2  HIS  63           2HE      HIS  63  -0.846   5.467 -11.949
  452    H    GLY  64           H        GLY  64   0.855   8.882  -6.386
  453   1HA   GLY  64          2HA       GLY  64   2.233   6.598  -6.066
  454   2HA   GLY  64          1HA       GLY  64   2.423   7.937  -4.956
  455    H    PHE  65           H        PHE  65  -0.154   7.810  -3.674
  456    HA   PHE  65           HA       PHE  65   0.413   5.539  -1.946
  457   1HB   PHE  65          2HB       PHE  65  -0.531   6.837  -0.348
  458   2HB   PHE  65          1HB       PHE  65  -0.848   8.069  -1.554
  459    HD1  PHE  65           1HD      PHE  65  -2.987   7.544  -3.077
  460    HD2  PHE  65           2HD      PHE  65  -2.353   5.983   0.854
  461    HE1  PHE  65           1HE      PHE  65  -5.399   7.167  -2.871
  462    HE2  PHE  65           2HE      PHE  65  -4.794   5.598   1.076
  463    HZ   PHE  65           HZ       PHE  65  -6.305   6.197  -0.799
  464    H    ASP  66           H        ASP  66  -1.782   6.375  -4.497
  465    HA   ASP  66           HA       ASP  66  -3.651   4.256  -4.052
  466   1HB   ASP  66          2HB       ASP  66  -4.083   6.312  -5.455
  467   2HB   ASP  66          1HB       ASP  66  -3.001   5.633  -6.671
  468    H    ILE  67           H        ILE  67  -0.576   4.641  -5.604
  469    HA   ILE  67           HA       ILE  67  -0.594   2.190  -7.096
  470    HB   ILE  67           HB       ILE  67   1.622   4.093  -6.263
  471   1HG1  ILE  67          2HG1      ILE  67   0.205   3.596  -8.903
  472   2HG1  ILE  67          1HG1      ILE  67  -0.091   4.950  -7.815
  473   1HG2  ILE  67          1HG2      ILE  67   2.968   2.881  -8.023
  474   2HG2  ILE  67          2HG2      ILE  67   1.692   1.666  -8.102
  475   3HG2  ILE  67          3HG2      ILE  67   2.616   1.882  -6.617
  476   1HD1  ILE  67          1HD1      ILE  67   2.474   5.392  -8.050
  477   2HD1  ILE  67          2HD1      ILE  67   1.410   5.865  -9.373
  478   3HD1  ILE  67          3HD1      ILE  67   2.347   4.375  -9.485
  479    H    LEU  68           H        LEU  68   1.173   3.291  -4.230
  480    HA   LEU  68           HA       LEU  68   2.372   0.858  -3.585
  481   1HB   LEU  68          2HB       LEU  68   1.818   3.397  -2.176
  482   2HB   LEU  68          1HB       LEU  68   2.092   2.008  -1.122
  483    HG   LEU  68           HG       LEU  68   4.211   1.521  -2.399
  484   1HD1  LEU  68          1HD1      LEU  68   3.537   2.676  -4.496
  485   2HD1  LEU  68          2HD1      LEU  68   5.106   3.225  -3.906
  486   3HD1  LEU  68          3HD1      LEU  68   3.675   4.225  -3.663
  487   1HD2  LEU  68          1HD2      LEU  68   5.496   3.485  -1.525
  488   2HD2  LEU  68          2HD2      LEU  68   4.429   2.749  -0.336
  489   3HD2  LEU  68          3HD2      LEU  68   3.966   4.258  -1.123
  490    H    VAL  69           H        VAL  69  -0.756   2.136  -2.403
  491    HA   VAL  69           HA       VAL  69  -1.316  -0.094  -0.741
  492    HB   VAL  69           HB       VAL  69  -3.577   0.720  -0.633
  493   1HG1  VAL  69          1HG1      VAL  69  -2.969   3.361  -0.509
  494   2HG1  VAL  69          2HG1      VAL  69  -1.334   2.704  -0.561
  495   3HG1  VAL  69          3HG1      VAL  69  -2.438   2.208   0.716
  496   1HG2  VAL  69          1HG2      VAL  69  -4.161   1.062  -2.901
  497   2HG2  VAL  69          2HG2      VAL  69  -2.826   2.182  -3.163
  498   3HG2  VAL  69          3HG2      VAL  69  -4.206   2.671  -2.181
  499    H    GLY  70           H        GLY  70  -1.624   0.430  -4.160
  500   1HA   GLY  70          2HA       GLY  70  -3.492  -1.706  -4.641
  501   2HA   GLY  70          1HA       GLY  70  -2.559  -0.840  -5.858
  502    H    GLN  71           H        GLN  71  -0.003  -1.356  -4.546
  503    HA   GLN  71           HA       GLN  71   0.478  -4.012  -5.637
  504   1HB   GLN  71          2HB       GLN  71   2.379  -2.017  -4.369
  505   2HB   GLN  71          1HB       GLN  71   2.838  -3.485  -5.234
  506   1HG   GLN  71          2HG       GLN  71   1.945  -2.656  -7.291
  507   2HG   GLN  71          1HG       GLN  71   1.165  -1.306  -6.478
  508   1HE2  GLN  71          1HE2      GLN  71   3.182  -0.268  -4.889
  509   2HE2  GLN  71          2HE2      GLN  71   4.490   0.214  -5.851
  510    H    ILE  72           H        ILE  72   0.959  -2.326  -2.552
  511    HA   ILE  72           HA       ILE  72   1.906  -4.297  -0.914
  512    HB   ILE  72           HB       ILE  72  -0.038  -2.043  -0.520
  513   1HG1  ILE  72          2HG1      ILE  72   2.497  -2.528   1.041
  514   2HG1  ILE  72          1HG1      ILE  72   2.600  -1.970  -0.624
  515   1HG2  ILE  72          1HG2      ILE  72  -0.967  -3.610   1.041
  516   2HG2  ILE  72          2HG2      ILE  72   0.053  -2.519   1.978
  517   3HG2  ILE  72          3HG2      ILE  72   0.633  -4.134   1.568
  518   1HD1  ILE  72          1HD1      ILE  72   2.553  -0.139   1.136
  519   2HD1  ILE  72          2HD1      ILE  72   0.876  -0.594   1.437
  520   3HD1  ILE  72          3HD1      ILE  72   1.356   0.010  -0.145
  521    H    ASP  73           H        ASP  73  -1.472  -3.826  -1.917
  522    HA   ASP  73           HA       ASP  73  -2.505  -6.073  -0.492
  523   1HB   ASP  73          2HB       ASP  73  -3.873  -4.138  -1.335
  524   2HB   ASP  73          1HB       ASP  73  -3.655  -4.765  -2.968
  525    H    ASP  74           H        ASP  74  -1.761  -5.555  -3.946
  526    HA   ASP  74           HA       ASP  74  -2.269  -8.092  -4.911
  527   1HB   ASP  74          2HB       ASP  74  -1.547  -5.986  -6.195
  528   2HB   ASP  74          1HB       ASP  74   0.106  -6.460  -5.804
  529    H    ALA  75           H        ALA  75   0.386  -6.883  -3.010
  530    HA   ALA  75           HA       ALA  75   2.226  -8.975  -3.437
  531   1HB   ALA  75          1HB       ALA  75   2.552  -6.675  -2.276
  532   2HB   ALA  75          2HB       ALA  75   3.445  -8.062  -1.658
  533   3HB   ALA  75          3HB       ALA  75   1.995  -7.502  -0.823
  534    H    LEU  76           H        LEU  76   0.206  -8.420  -0.523
  535    HA   LEU  76           HA       LEU  76   0.561 -10.951   0.600
  536   1HB   LEU  76          2HB       LEU  76  -0.591  -8.990   1.709
  537   2HB   LEU  76          1HB       LEU  76  -2.005  -9.355   0.723
  538    HG   LEU  76           HG       LEU  76  -1.698 -11.814   1.713
  539   1HD1  LEU  76          1HD1      LEU  76   0.407 -11.388   2.880
  540   2HD1  LEU  76          2HD1      LEU  76  -0.865 -11.709   4.057
  541   3HD1  LEU  76          3HD1      LEU  76  -0.325 -10.054   3.773
  542   1HD2  LEU  76          1HD2      LEU  76  -3.671 -10.421   2.115
  543   2HD2  LEU  76          2HD2      LEU  76  -2.789  -9.470   3.311
  544   3HD2  LEU  76          3HD2      LEU  76  -3.160 -11.164   3.631
  545    H    LYS  77           H        LYS  77  -2.031  -9.793  -1.528
  546    HA   LYS  77           HA       LYS  77  -3.599 -12.015  -1.857
  547   1HB   LYS  77          2HB       LYS  77  -3.850  -9.747  -2.928
  548   2HB   LYS  77          1HB       LYS  77  -2.625 -10.219  -4.094
  549   1HG   LYS  77          2HG       LYS  77  -5.116 -11.871  -3.644
  550   2HG   LYS  77          1HG       LYS  77  -5.110 -10.510  -4.749
  551   1HD   LYS  77          2HD       LYS  77  -4.308 -11.894  -6.364
  552   2HD   LYS  77          1HD       LYS  77  -2.792 -11.963  -5.477
  553   1HE   LYS  77          2HE       LYS  77  -3.213 -14.219  -5.455
  554   2HE   LYS  77          1HE       LYS  77  -4.298 -13.848  -4.120
  555   1HZ   LYS  77          1HZ       LYS  77  -6.050 -14.354  -5.357
  556   2HZ   LYS  77          2HZ       LYS  77  -4.978 -14.969  -6.523
  557   3HZ   LYS  77          3HZ       LYS  77  -5.534 -13.368  -6.638
  558    H    LEU  78           H        LEU  78  -0.633 -11.288  -3.707
  559    HA   LEU  78           HA       LEU  78  -0.598 -13.739  -5.095
  560   1HB   LEU  78          2HB       LEU  78   0.883 -11.497  -5.288
  561   2HB   LEU  78          1HB       LEU  78   2.023 -12.478  -4.376
  562    HG   LEU  78           HG       LEU  78   0.798 -13.098  -7.082
  563   1HD1  LEU  78          1HD1      LEU  78   3.026 -12.940  -7.893
  564   2HD1  LEU  78          2HD1      LEU  78   3.702 -13.026  -6.267
  565   3HD1  LEU  78          3HD1      LEU  78   2.853 -11.572  -6.791
  566   1HD2  LEU  78          1HD2      LEU  78   2.383 -15.173  -6.848
  567   2HD2  LEU  78          2HD2      LEU  78   0.804 -15.234  -6.079
  568   3HD2  LEU  78          3HD2      LEU  78   2.239 -14.883  -5.116
  569    H    ALA  79           H        ALA  79   0.840 -12.747  -2.010
  570    HA   ALA  79           HA       ALA  79   2.084 -15.287  -1.475
  571   1HB   ALA  79          1HB       ALA  79   2.642 -14.361   0.654
  572   2HB   ALA  79          2HB       ALA  79   1.357 -13.157   0.544
  573   3HB   ALA  79          3HB       ALA  79   2.771 -13.036  -0.503
  574    H    ASN  80           H        ASN  80  -1.084 -14.130  -1.354
  575    HA   ASN  80           HA       ASN  80  -2.007 -15.824   0.814
  576   1HB   ASN  80          2HB       ASN  80  -2.994 -13.546   0.137
  577   2HB   ASN  80          1HB       ASN  80  -3.728 -14.400  -1.219
  578   1HD2  ASN  80          1HD2      ASN  80  -5.095 -13.156   1.149
  579   2HD2  ASN  80          2HD2      ASN  80  -5.965 -14.418   1.879
  580    H    GLU  81           H        GLU  81  -1.981 -15.681  -2.681
  581    HA   GLU  81           HA       GLU  81  -2.801 -18.517  -2.844
  582   1HB   GLU  81          2HB       GLU  81  -4.570 -16.773  -3.585
  583   2HB   GLU  81          1HB       GLU  81  -3.495 -16.481  -4.954
  584   1HG   GLU  81          2HG       GLU  81  -5.054 -18.141  -5.684
  585   2HG   GLU  81          1HG       GLU  81  -3.543 -18.993  -5.370
  586    H    GLY  82           H        GLY  82  -0.186 -17.998  -2.650
  587   1HA   GLY  82          2HA       GLY  82   1.057 -19.067  -4.829
  588   2HA   GLY  82          1HA       GLY  82   1.042 -17.336  -5.145
  589    H    LYS  83           H        LYS  83   2.245 -19.858  -3.131
  590    HA   LYS  83           HA       LYS  83   3.397 -19.077  -0.964
  591   1HB   LYS  83          2HB       LYS  83   5.215 -20.534  -1.290
  592   2HB   LYS  83          1HB       LYS  83   3.878 -21.176  -2.234
  593   1HG   LYS  83          2HG       LYS  83   5.409 -21.262  -3.939
  594   2HG   LYS  83          1HG       LYS  83   5.066 -19.541  -4.102
  595   1HD   LYS  83          2HD       LYS  83   7.398 -19.588  -3.933
  596   2HD   LYS  83          1HD       LYS  83   6.895 -19.239  -2.281
  597   1HE   LYS  83          2HE       LYS  83   6.902 -22.013  -2.293
  598   2HE   LYS  83          1HE       LYS  83   8.267 -21.633  -3.344
  599   1HZ   LYS  83          1HZ       LYS  83   9.404 -20.655  -1.668
  600   2HZ   LYS  83          2HZ       LYS  83   8.483 -21.732  -0.731
  601   3HZ   LYS  83          3HZ       LYS  83   8.012 -20.105  -0.870
  602    H    VAL  84           H        VAL  84   5.249 -18.151  -0.133
  603    HA   VAL  84           HA       VAL  84   5.631 -15.506  -0.668
  604    HB   VAL  84           HB       VAL  84   7.525 -17.415   0.697
  605   1HG1  VAL  84          1HG1      VAL  84   8.938 -15.595   0.497
  606   2HG1  VAL  84          2HG1      VAL  84   8.014 -15.027   1.888
  607   3HG1  VAL  84          3HG1      VAL  84   7.615 -14.453   0.267
  608   1HG2  VAL  84          1HG2      VAL  84   5.197 -15.708   1.610
  609   2HG2  VAL  84          2HG2      VAL  84   6.448 -16.239   2.731
  610   3HG2  VAL  84          3HG2      VAL  84   5.466 -17.428   1.891
  611    H    LYS  85           H        LYS  85   7.992 -18.027  -1.572
  612    HA   LYS  85           HA       LYS  85   9.943 -16.449  -2.638
  613   1HB   LYS  85          2HB       LYS  85   9.341 -19.183  -2.742
  614   2HB   LYS  85          1HB       LYS  85   9.476 -18.723  -4.434
  615   1HG   LYS  85          2HG       LYS  85  11.691 -17.741  -3.989
  616   2HG   LYS  85          1HG       LYS  85  11.542 -18.172  -2.286
  617   1HD   LYS  85          2HD       LYS  85  12.884 -19.864  -3.431
  618   2HD   LYS  85          1HD       LYS  85  11.346 -20.569  -2.936
  619   1HE   LYS  85          2HE       LYS  85  11.517 -19.356  -5.679
  620   2HE   LYS  85          1HE       LYS  85  12.276 -20.924  -5.409
  621   1HZ   LYS  85          1HZ       LYS  85  10.261 -21.773  -5.694
  622   2HZ   LYS  85          2HZ       LYS  85   9.503 -20.257  -5.581
  623   3HZ   LYS  85          3HZ       LYS  85   9.859 -21.138  -4.173
  624    H    GLU  86           H        GLU  86   6.859 -17.212  -4.141
  625    HA   GLU  86           HA       GLU  86   7.535 -15.939  -6.654
  626   1HB   GLU  86          2HB       GLU  86   4.827 -16.730  -5.544
  627   2HB   GLU  86          1HB       GLU  86   5.164 -16.250  -7.208
  628   1HG   GLU  86          2HG       GLU  86   6.677 -18.160  -7.476
  629   2HG   GLU  86          1HG       GLU  86   6.401 -18.621  -5.799
  630    H    ALA  87           H        ALA  87   6.181 -15.091  -3.619
  631    HA   ALA  87           HA       ALA  87   5.122 -12.532  -4.476
  632   1HB   ALA  87          1HB       ALA  87   4.255 -14.020  -2.529
  633   2HB   ALA  87          2HB       ALA  87   4.322 -12.274  -2.293
  634   3HB   ALA  87          3HB       ALA  87   5.577 -13.305  -1.605
  635    H    GLN  88           H        GLN  88   7.809 -13.679  -2.438
  636    HA   GLN  88           HA       GLN  88   8.941 -11.218  -1.815
  637   1HB   GLN  88          2HB       GLN  88  10.705 -12.438  -0.977
  638   2HB   GLN  88          1HB       GLN  88   9.569 -13.759  -1.194
  639   1HG   GLN  88          2HG       GLN  88  11.495 -14.609  -2.210
  640   2HG   GLN  88          1HG       GLN  88  10.630 -13.941  -3.584
  641   1HE2  GLN  88          1HE2      GLN  88  11.308 -11.179  -2.409
  642   2HE2  GLN  88          2HE2      GLN  88  12.896 -10.897  -2.919
  643    H    ALA  89           H        ALA  89   9.095 -13.124  -4.747
  644    HA   ALA  89           HA       ALA  89  11.019 -11.405  -6.038
  645   1HB   ALA  89          1HB       ALA  89  10.770 -13.771  -6.709
  646   2HB   ALA  89          2HB       ALA  89  10.451 -12.686  -8.063
  647   3HB   ALA  89          3HB       ALA  89   9.110 -13.449  -7.211
  648    H    ALA  90           H        ALA  90   7.497 -11.883  -6.044
  649    HA   ALA  90           HA       ALA  90   6.947  -9.883  -7.996
  650   1HB   ALA  90          1HB       ALA  90   5.358 -11.671  -7.096
  651   2HB   ALA  90          2HB       ALA  90   4.682 -10.067  -7.362
  652   3HB   ALA  90          3HB       ALA  90   5.095 -10.589  -5.729
  653    H    ALA  91           H        ALA  91   8.078  -9.738  -4.810
  654    HA   ALA  91           HA       ALA  91   6.993  -7.144  -4.148
  655   1HB   ALA  91          1HB       ALA  91   7.658  -8.976  -2.490
  656   2HB   ALA  91          2HB       ALA  91   8.191  -7.336  -2.116
  657   3HB   ALA  91          3HB       ALA  91   9.327  -8.497  -2.804
  658    H    GLU  92           H        GLU  92  10.086  -8.437  -5.311
  659    HA   GLU  92           HA       GLU  92  11.552  -6.052  -5.111
  660   1HB   GLU  92          2HB       GLU  92  13.247  -7.172  -6.202
  661   2HB   GLU  92          1HB       GLU  92  12.260  -8.549  -5.727
  662   1HG   GLU  92          2HG       GLU  92  11.110  -8.313  -8.010
  663   2HG   GLU  92          1HG       GLU  92  12.419  -7.218  -8.437
  664    H    GLN  93           H        GLN  93   9.453  -7.262  -7.719
  665    HA   GLN  93           HA       GLN  93  10.116  -5.249  -9.591
  666   1HB   GLN  93          2HB       GLN  93   7.813  -5.748 -10.560
  667   2HB   GLN  93          1HB       GLN  93   8.922  -7.114 -10.439
  668   1HG   GLN  93          2HG       GLN  93   7.876  -7.804  -8.350
  669   2HG   GLN  93          1HG       GLN  93   6.785  -6.423  -8.413
  670   1HE2  GLN  93          1HE2      GLN  93   4.782  -7.470  -8.780
  671   2HE2  GLN  93          2HE2      GLN  93   4.481  -8.475 -10.115
  672    H    LEU  94           H        LEU  94   8.428  -5.058  -6.633
  673    HA   LEU  94           HA       LEU  94   6.819  -2.744  -7.361
  674   1HB   LEU  94          2HB       LEU  94   7.502  -3.743  -4.582
  675   2HB   LEU  94          1HB       LEU  94   6.214  -2.630  -5.025
  676    HG   LEU  94           HG       LEU  94   6.416  -5.560  -5.767
  677   1HD1  LEU  94          1HD1      LEU  94   4.663  -3.952  -3.901
  678   2HD1  LEU  94          2HD1      LEU  94   5.589  -5.406  -3.555
  679   3HD1  LEU  94          3HD1      LEU  94   4.132  -5.506  -4.540
  680   1HD2  LEU  94          1HD2      LEU  94   5.433  -4.604  -7.677
  681   2HD2  LEU  94          2HD2      LEU  94   4.615  -3.349  -6.750
  682   3HD2  LEU  94          3HD2      LEU  94   4.028  -5.011  -6.694
  683    H    LYS  95           H        LYS  95   9.770  -3.475  -5.587
  684    HA   LYS  95           HA       LYS  95  10.442  -0.968  -4.630
  685   1HB   LYS  95          2HB       LYS  95  12.218  -3.154  -5.745
  686   2HB   LYS  95          1HB       LYS  95  12.840  -1.726  -4.920
  687   1HG   LYS  95          2HG       LYS  95  10.775  -3.556  -3.664
  688   2HG   LYS  95          1HG       LYS  95  12.504  -3.830  -3.486
  689   1HD   LYS  95          2HD       LYS  95  11.948  -1.039  -2.882
  690   2HD   LYS  95          1HD       LYS  95  10.848  -2.051  -1.954
  691   1HE   LYS  95          2HE       LYS  95  12.696  -3.280  -0.988
  692   2HE   LYS  95          1HE       LYS  95  13.846  -2.474  -2.057
  693   1HZ   LYS  95          1HZ       LYS  95  13.597  -0.470  -0.951
  694   2HZ   LYS  95          2HZ       LYS  95  13.569  -1.598   0.320
  695   3HZ   LYS  95          3HZ       LYS  95  12.120  -0.913  -0.245
  696    H    THR  96           H        THR  96  10.830  -2.323  -7.857
  697    HA   THR  96           HA       THR  96  12.256  -0.077  -8.921
  698    HB   THR  96           HB       THR  96  10.606  -2.017 -10.519
  699    HG1  THR  96           1HG      THR  96  11.783  -3.483  -9.586
  700   1HG2  THR  96          1HG2      THR  96  12.358  -1.648 -12.189
  701   2HG2  THR  96          2HG2      THR  96  13.241  -0.623 -11.057
  702   3HG2  THR  96          3HG2      THR  96  11.675  -0.103 -11.680
  703    H    THR  97           H        THR  97   8.852  -1.062  -8.825
  704    HA   THR  97           HA       THR  97   7.817   0.847 -10.590
  705    HB   THR  97           HB       THR  97   6.428  -0.146  -8.095
  706    HG1  THR  97           1HG      THR  97   7.413  -1.512 -10.158
  707   1HG2  THR  97          1HG2      THR  97   4.439   0.042  -9.658
  708   2HG2  THR  97          2HG2      THR  97   5.500   0.876 -10.789
  709   3HG2  THR  97          3HG2      THR  97   5.176   1.577  -9.203
  710    H    ILE  98           H        ILE  98   8.068   1.052  -7.014
  711    HA   ILE  98           HA       ILE  98   7.166   3.728  -6.907
  712    HB   ILE  98           HB       ILE  98   7.740   3.735  -4.640
  713   1HG1  ILE  98          2HG1      ILE  98   9.903   1.710  -5.301
  714   2HG1  ILE  98          1HG1      ILE  98  10.168   3.392  -4.828
  715   1HG2  ILE  98          1HG2      ILE  98   6.938   1.679  -3.798
  716   2HG2  ILE  98          2HG2      ILE  98   7.654   0.756  -5.116
  717   3HG2  ILE  98          3HG2      ILE  98   6.248   1.774  -5.417
  718   1HD1  ILE  98          1HD1      ILE  98  10.507   2.114  -2.846
  719   2HD1  ILE  98          2HD1      ILE  98   9.080   1.122  -3.145
  720   3HD1  ILE  98          3HD1      ILE  98   8.896   2.813  -2.676
  721    H    ARG  99           H        ARG  99  10.244   2.276  -7.677
  722    HA   ARG  99           HA       ARG  99  11.783   4.600  -7.186
  723   1HB   ARG  99          2HB       ARG  99  12.791   2.336  -7.431
  724   2HB   ARG  99          1HB       ARG  99  12.398   2.380  -9.148
  725   1HG   ARG  99          2HG       ARG  99  14.741   3.056  -8.752
  726   2HG   ARG  99          1HG       ARG  99  13.802   4.373  -9.446
  727   1HD   ARG  99          2HD       ARG  99  13.968   5.659  -7.542
  728   2HD   ARG  99          1HD       ARG  99  13.866   4.277  -6.464
  729    HE   ARG  99           HE       ARG  99  16.322   4.032  -7.693
  730   1HH1  ARG  99          1HH2      ARG  99  14.643   6.433  -5.850
  731   2HH1  ARG  99          2HH2      ARG  99  16.081   7.096  -5.147
  732   1HH2  ARG  99          1HH1      ARG  99  18.210   4.896  -6.773
  733   2HH2  ARG  99          2HH1      ARG  99  18.099   6.227  -5.670
  734    H    ALA 100           H        ALA 100   9.708   3.626  -9.765
  735    HA   ALA 100           HA       ALA 100  10.718   5.497 -11.695
  736   1HB   ALA 100          1HB       ALA 100   8.598   5.117 -12.863
  737   2HB   ALA 100          2HB       ALA 100   7.925   4.327 -11.436
  738   3HB   ALA 100          3HB       ALA 100   9.252   3.572 -12.320
  739    H    TYR 101           H        TYR 101   8.362   5.490  -9.086
  740    HA   TYR 101           HA       TYR 101   7.487   8.202  -9.598
  741   1HB   TYR 101          2HB       TYR 101   5.741   7.298  -8.438
  742   2HB   TYR 101          1HB       TYR 101   6.735   5.985  -7.822
  743    HD1  TYR 101           1HD      TYR 101   6.525   9.715  -7.387
  744    HD2  TYR 101           2HD      TYR 101   6.866   5.877  -5.488
  745    HE1  TYR 101           1HE      TYR 101   6.579  10.818  -5.166
  746    HE2  TYR 101           2HE      TYR 101   6.917   6.979  -3.269
  747    HH   TYR 101           HH       TYR 101   7.692   9.597  -2.536
  748    H    ASN 102           H        ASN 102   9.429   6.591  -7.081
  749    HA   ASN 102           HA       ASN 102  10.204   8.872  -5.672
  750   1HB   ASN 102          2HB       ASN 102  10.585   6.312  -5.177
  751   2HB   ASN 102          1HB       ASN 102  12.105   6.565  -6.028
  752   1HD2  ASN 102          1HD2      ASN 102  12.853   9.100  -5.188
  753   2HD2  ASN 102          2HD2      ASN 102  13.069   9.109  -3.507
  754    H    GLN 103           H        GLN 103  11.606   7.362  -8.549
  755    HA   GLN 103           HA       GLN 103  13.823   9.222  -8.646
  756   1HB   GLN 103          2HB       GLN 103  13.944   6.862  -9.531
  757   2HB   GLN 103          1HB       GLN 103  12.860   7.375 -10.826
  758   1HG   GLN 103          2HG       GLN 103  14.447   8.891 -11.713
  759   2HG   GLN 103          1HG       GLN 103  15.435   8.843 -10.254
  760   1HE2  GLN 103          1HE2      GLN 103  14.085   6.289 -12.434
  761   2HE2  GLN 103          2HE2      GLN 103  15.567   5.487 -12.634
  762    H    LYS 104           H        LYS 104  10.671   8.821 -10.180
  763    HA   LYS 104           HA       LYS 104  10.798  10.505 -12.341
  764   1HB   LYS 104          2HB       LYS 104   8.662   9.600 -11.997
  765   2HB   LYS 104          1HB       LYS 104   8.603  10.114 -10.319
  766   1HG   LYS 104          2HG       LYS 104   8.008  12.318 -10.855
  767   2HG   LYS 104          1HG       LYS 104   8.745  12.225 -12.457
  768   1HD   LYS 104          2HD       LYS 104   6.946  10.746 -13.229
  769   2HD   LYS 104          1HD       LYS 104   6.227  10.753 -11.617
  770   1HE   LYS 104          2HE       LYS 104   5.745  13.109 -11.760
  771   2HE   LYS 104          1HE       LYS 104   6.676  13.264 -13.250
  772   1HZ   LYS 104          1HZ       LYS 104   4.696  12.975 -14.221
  773   2HZ   LYS 104          2HZ       LYS 104   3.991  12.274 -12.843
  774   3HZ   LYS 104          3HZ       LYS 104   4.940  11.330 -13.891
  775    H    TYR 105           H        TYR 105  10.448  11.438  -8.948
  776    HA   TYR 105           HA       TYR 105  10.922  14.258  -9.697
  777   1HB   TYR 105          2HB       TYR 105   9.277  12.968  -7.709
  778   2HB   TYR 105          1HB       TYR 105  10.435  13.999  -6.874
  779    HD1  TYR 105           1HD      TYR 105   7.496  13.895  -9.017
  780    HD2  TYR 105           2HD      TYR 105  10.593  16.436  -7.478
  781    HE1  TYR 105           1HE      TYR 105   6.202  15.868  -9.711
  782    HE2  TYR 105           2HE      TYR 105   9.284  18.432  -8.158
  783    HH   TYR 105           HH       TYR 105   7.530  18.993  -9.813
  784    H    GLY 106           H        GLY 106  12.336  11.539  -8.026
  785   1HA   GLY 106          2HA       GLY 106  14.300  11.326  -6.801
  786   2HA   GLY 106          1HA       GLY 106  14.952  12.207  -8.178