*HEADER    ANTIMICROBIAL PROTEIN                   16-APR-15   2N1S              
*TITLE     SPATIAL STRUCTURE OF ANTIMICROBIAL PEPTIDE SMAMP2-2C FROM SEEDS OF    
*TITLE    2 STELLARIA MEDIA                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMP-2;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 68-97;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STELLARIA MEDIA;                                
*SOURCE   3 ORGANISM_COMMON: COMMON CHICKWEED;                                   
*SOURCE   4 ORGANISM_TAXID: 13274;                                               
*SOURCE   5 GENE: AMP-2;                                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: (DE3);                                    
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET-32B                                    
*KEYWDS    ANTIMICROBIAL PEPTIDE, ICK, CYSTINE KNOT INHIBITOR, CYSTINE KNOT,     
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.N.BOZIN, E.V.BOCHAROV                                               
*REVDAT   1   29-JUN-16 2N1S    0                                                


1 ALA PHI -185 -46 # 2.99179 +/-1.5 Hz   
1 ALA PHI -68 188 #      
2 ALA PHI -175 -65 # 5.78508 +/-1.5 Hz   
2 ALA PHI -84 204 #      
4 GLN PHI -169 85 # 6.76827 +/-1.5 Hz   
4 GLN PHI -90 210 #      
4 GLN PHI 35 289 #      
4 GLN PHI 72 408 #      
5 CYSS PHI -172 85 # 6.30544 +/-1.5 Hz   
5 CYSS PHI -87 207 #      
5 CYSS PHI 35 292 #      
5 CYSS PHI 78 402 #      
6 TYR PHI -157 83 # 8.90513 +/-1.5 Hz   
6 TYR PHI -108 228 #      
6 TYR PHI 37 277 #      
7 ARG PHI -170 85 # 6.56525 +/-1.5 Hz   
7 ARG PHI -88 208 #      
7 ARG PHI 35 290 #      
7 ARG PHI 75 405 #      
9 ARG PHI -154 79 # 9.33686 +/-1.5 Hz   
9 ARG PHI -116 236 #      
9 ARG PHI 41 274 #      
10 CYSS PHI -152 75 # 9.64474 +/-1.5 Hz   
10 CYSS PHI 45 272 #      
#10 10C-40C PHI -149 65 # 10.1361 +/-1.5 Hz   
#10 10C-40C PHI 55 269 #      
#11 SER PHI -175 85 # 6.65282 +/-2.5 Hz  S11-C40  
#11 SER PHI -96 216 #      
#11 SER PHI 35 295 #      
11 SER PHI -175 -65 # 6.65282 +/-2.5 Hz  S11-C40  
11 SER PHI -96 216 #      
14 LEU PHI -165 85 # 7.46798 +/-1.5 Hz   
14 LEU PHI -94 214 #      
14 LEU PHI 35 285 #      
15 CYSS PHI -153 78 # 9.43606 +/-1.5 Hz   
15 CYSS PHI 42 273 #      
16 CYSS PHI -161 85 # 8.14815 +/-1.5 Hz   
16 CYSS PHI -100 220 #      
16 CYSS PHI 35 281 #      
17 SER PHI -176 -64 # 5.53241 +/-1.5 Hz   
17 SER PHI -82 202 #      
18 LYS PHI -185 -49 # 3.28375 +/-1.5 Hz   
18 LYS PHI -69 189 #      
19 TYR PHI -153 78 # 9.43534 +/-1.5 Hz   
19 TYR PHI 42 273 #      
21 TYR PHI 211 -91 # 10.1797 +/-1.5 Hz   
22 CYSS PHI -163 85 # 7.88304 +/-1.5 Hz   
22 CYSS PHI -98 218 #      
22 CYSS PHI 35 283 #      
24 SER PHI -153 78 # 9.43501 +/-1.5 Hz   
24 SER PHI 42 273 #      
27 ALA PHI -172 -68 # 6.16087 +/-1.5 Hz   
27 ALA PHI -86 206 #      
28 TYR PHI 213 -93 # 10.4817 +/-1.5 Hz   
29 CYSS PHI -164 85 # 7.60711 +/-1.5 Hz   
29 CYSS PHI -95 215 #      
29 CYSS PHI 35 284 #      

10 CYSS PSI 60 200 #      



1 ALA CHI1 -210.0 90.0  #
1 ALA CHI1 -90.0 210.0 #
1 ALA CHI1 30.0 330.0 #

2 ALA CHI1 -210.0 90.0  #
2 ALA CHI1 -90.0 210.0 #
2 ALA CHI1 30.0 330.0 #

#4 GLN CHI1 -90.0 -30.0 #???????
4 GLN CHI1 -90.0 210.0 #
4 GLN CHI1 150.0 330.0 # 

5 CYSS CHI1 -210.0 90.0  #
5 CYSS CHI1 -90.0 210.0 #
5 CYSS CHI1 30.0 330.0 # 

6 TYR CHI1 -210.0 90.0  #
6 TYR CHI1 -90.0 210.0 #
6 TYR CHI1 30.0 330.0 # 

7 ARG CHI1 -210.0 90.0  #
7 ARG CHI1 -90.0 210.0 #
7 ARG CHI1 30.0 330.0 # 

9 ARG CHI1 -210.0 90.0  #
9 ARG CHI1 -90.0 210.0 #
9 ARG CHI1 30.0 330.0 # 

10 CYSS CHI1 -90.0 -30.0

11 SER CHI1 -210.0 90.0  #Y6,R9,S11-QB
11 SER CHI1 -90.0 210.0 #
11 SER CHI1 30.0 330.0 #

14 LEU CHI1 -90.0 -30.0
15 CYSS CHI1 -90.0 -30.0

#16 CYSS CHI1 150.0 210.0
16 CYSS CHI1 -210.0 90.0  #
16 CYSS CHI1 -90.0 210.0 #
16 CYSS CHI1 30.0 330.0 # 

17 SER CHI1 30.0 90.0

18 LYS CHI1 -210.0 90.0  #
18 LYS CHI1 -90.0 210.0 #
18 LYS CHI1 30.0 330.0 #

19 TYR CHI1 -90.0 -30.0
21 TYR CHI1 -90.0 -30.0
22 CYSS CHI1 -90.0 -30.0

#24 SER CHI1 30.0 90.0

27 ALA CHI1 -210.0 90.0  #
27 ALA CHI1 -90.0 210.0 #
27 ALA CHI1 30.0 330.0 #

28 TYR CHI1 -90.0 -30.0
29 CYSS CHI1 -90.0 -30.0

 24 SER  HA     28 TYR  HB2     3.89            #peak     1
 10 CYSS HA     10 CYSS HB2     3.33            #peak     2
 10 CYSS HA     10 CYSS HB3     2.80            #peak     5
 21 TYR  HA     21 TYR  HB3     2.80            #peak     6
  7 ARG  HA      7 ARG  HB3     2.77            #peak     7
 10 CYSS HB3    14 LEU  H       4.20            #peak   271
 27 ALA  H      28 TYR  H       2.96            #peak   441
 28 TYR  H      29 CYSS H       2.52            #peak   491
 23 GLY  H      23 GLY  HA2     2.99            #peak   521
 23 GLY  HA2    24 SER  H       2.65            #peak   541
 28 TYR  HA     28 TYR  HB2     3.27            #peak   612
 30 GLY  H      30 GLY  HA3     2.90            #peak   751
  7 ARG  H       7 ARG  HB3     4.29            #peak   771
  9 ARG  QB     10 CYSS H       3.99            #peak  1061
  9 ARG  H       9 ARG  QB      3.99            #peak  1091
 24 SER  H      24 SER  HB2     3.39            #peak  1131
 24 SER  HB2    25 GLY  H       3.40            #peak  1151
 28 TYR  H      28 TYR  HB3     3.95            #peak  1191
 24 SER  H      28 TYR  HB3     4.26            #peak  1281
 28 TYR  HB3    29 CYSS H       3.52            #peak  1311
 16 CYSS H      16 CYSS HB2     2.90            #peak  1331
 16 CYSS HB2    17 SER  H       4.14            #peak  1351
 13 GLY  H      13 GLY  HA2     2.74            #peak  1561
 13 GLY  HA2    14 LEU  H       3.58            #peak  1571
 17 SER  HA     18 LYS  H       2.77            #peak  1591
 17 SER  HA     19 TYR  H       4.45            #peak  1611
 17 SER  HA     17 SER  HB2     4.17            #peak  1621
 17 SER  H      17 SER  HA      3.24            #peak  1631
 17 SER  HA     17 SER  HB3     3.98            #peak  1641
  6 TYR  H       6 TYR  QB      3.93            #peak  1671
  6 TYR  QB      9 ARG  H       5.20            #peak  1701
  6 TYR  QB      8 GLY  H       5.54            #peak  1711
 18 LYS  HB2    19 TYR  H       4.35            #peak  1761
 23 GLY  HA3    23 GLY  HA2     2.40            #peak  1762
 26 PRO  HB3    27 ALA  H       5.16            #peak  1861
  4 GLN  HA     21 TYR  HA      3.27            #peak  1912
 14 LEU  HA     15 CYSS H       2.62            #peak  2221
 14 LEU  H      14 LEU  HA      3.14            #peak  2251
 21 TYR  HB3    22 CYSS H       3.02            #peak  2281
 21 TYR  H      21 TYR  HB3     3.76            #peak  2301
 15 CYSS H      23 GLY  H       3.14            #peak  2431
 17 SER  H      23 GLY  H       4.79            #peak  2491
 29 CYSS HA     29 CYSS HB2     3.08            #peak  2612
 29 CYSS HA     29 CYSS HB3     2.83            #peak  2642
  3 GLY  H       4 GLN  H       3.95            #peak  2661
 20 GLY  HA3    21 TYR  H       3.79            #peak  2831
 20 GLY  H      20 GLY  HA3     2.86            #peak  2841
  5 CYSS H      20 GLY  HA3     4.29            #peak  2861
  7 ARG  H       8 GLY  H       3.64            #peak  2991
  3 GLY  HA2     4 GLN  H       3.05            #peak  3001
  3 GLY  H       3 GLY  HA2     3.14            #peak  3031
  5 CYSS HA      6 TYR  H       2.68            #peak  3171
  5 CYSS H       5 CYSS HA      3.17            #peak  3201
  6 TYR  H       9 ARG  H       3.24            #peak  3571
 18 LYS  H      19 TYR  H       3.52            #peak  3651
 21 TYR  HA     21 TYR  HB2     3.45            #peak  3712
 26 PRO  HA     28 TYR  H       4.23            #peak  3751
 14 LEU  HA     23 GLY  H       4.72            #peak  3771
 26 PRO  HA     27 ALA  H       3.86            #peak  3801
 26 PRO  HA     30 GLY  H       3.45            #peak  3821
 26 PRO  HA     29 CYSS H       3.52            #peak  3851
 15 CYSS HA     15 CYSS HB2     3.70            #peak  4072
 17 SER  H      21 TYR  H       3.33            #peak  4211
 20 GLY  H      21 TYR  H       2.86            #peak  4501
 19 TYR  H      20 GLY  H       2.71            #peak  4531
 17 SER  H      20 GLY  H       4.23            #peak  4541
 15 CYSS HB3    16 CYSS H       3.05            #peak  4601
 18 LYS  HA     18 LYS  HB3     3.08            #peak  4652
 25 GLY  H      25 GLY  HA2     2.55            #peak  4801
 22 CYSS HA     22 CYSS HB2     2.80            #peak  4802
 11 SER  HA     11 SER  QB      4.06            #peak  5082
 22 CYSS HB3    23 GLY  H       3.61            #peak  5281
 22 CYSS H      22 CYSS HB3     2.68            #peak  5291
 15 CYSS HA     15 CYSS HB3     3.02            #peak  5552
 29 CYSS H      29 CYSS HB3     3.58            #peak  5611
  6 TYR  HA      6 TYR  QB      3.75            #peak  5632
 19 TYR  H      19 TYR  HB3     3.55            #peak  5941
  8 GLY  HA2     9 ARG  H       3.48            #peak  6001
  8 GLY  H       8 GLY  HA2     2.49            #peak  6021
 15 CYSS H      23 GLY  H       3.17            #peak  6151
 26 PRO  HB2    27 ALA  H       4.00            #peak  6341
 19 TYR  HA     19 TYR  HB2     3.36            #peak  6442
 19 TYR  HA     19 TYR  HB3     2.83            #peak  6482
 10 CYSS HB2    14 LEU  H       4.35            #peak  6551
 14 LEU  HB2    15 CYSS H       2.68            #peak  6631
 14 LEU  H      14 LEU  HB2     3.52            #peak  6681
 28 TYR  HA     30 GLY  H       4.82            #peak  6781
 17 SER  H      28 TYR  HA      4.76            #peak  6791
 28 TYR  HA     29 CYSS H       3.86            #peak  6801
 27 ALA  H      28 TYR  H       3.05            #peak  6821
 30 GLY  H      30 GLY  HA2     2.90            #peak  7101
  1 ALA  H       1 ALA  HA      5.04            #peak  7311
  1 ALA  HA      2 ALA  H       4.48            #peak  7321
 16 CYSS HA     16 CYSS HB3     3.02            #peak  7322
 16 CYSS HA     22 CYSS HA      3.02            #peak  7332
 16 CYSS HA     16 CYSS HB2     2.90            #peak  7372
 28 TYR  H      28 TYR  HB2     2.86            #peak  7521
 24 SER  H      28 TYR  HB2     4.32            #peak  7601
 28 TYR  HB2    29 CYSS H       2.99            #peak  7631
 23 GLY  HA2    23 GLY  HA3     2.40            #peak  7772
 18 LYS  H      19 TYR  H       3.45            #peak  7901
 17 SER  H      19 TYR  H       5.16            #peak  7991
 13 GLY  H      13 GLY  HA3     3.05            #peak  8081
 13 GLY  HA3    14 LEU  H       3.83            #peak  8091
 17 SER  HB2    18 LYS  H       3.73            #peak  8121
 17 SER  HB2    21 TYR  H       4.14            #peak  8131
 17 SER  HB2    19 TYR  H       4.17            #peak  8151
 17 SER  H      17 SER  HB2     2.80            #peak  8171
 18 LYS  H      18 LYS  HB3     3.11            #peak  8271
 18 LYS  HB3    19 TYR  H       5.16            #peak  8281
 28 TYR  HA     28 TYR  HB3     3.14            #peak  8622
 12 GLY  QA     14 LEU  H       5.36            #peak  8661
 14 LEU  HB3    15 CYSS H       3.52            #peak  8731
 14 LEU  H      14 LEU  HB3     2.74            #peak  8771
 21 TYR  H      21 TYR  HB2     2.90            #peak  8831
 23 GLY  H      23 GLY  HA3     2.99            #peak  8911
  4 GLN  HA     22 CYSS H       3.52            #peak  9001
  4 GLN  HA      5 CYSS H       2.59            #peak  9091
 29 CYSS HB3    30 GLY  H       4.51            #peak  9191
 29 CYSS HB2    30 GLY  H       4.11            #peak  9241
 29 CYSS H      30 GLY  H       3.08            #peak  9251
  7 ARG  H       7 ARG  HA      2.74            #peak  9291
  7 ARG  HA      8 GLY  H       2.86            #peak  9351
  5 CYSS HB2     6 TYR  H       2.80            #peak  9461
  5 CYSS HB2     9 ARG  H       3.36            #peak  9491
  5 CYSS H       5 CYSS HB2     3.86            #peak  9501
  5 CYSS HB2     8 GLY  H       3.76            #peak  9511
  3 GLY  HA3     4 GLN  H       2.83            #peak  9581
  3 GLY  H       3 GLY  HA3     3.11            #peak  9611
 29 CYSS HA     30 GLY  H       4.04            #peak  9641
 29 CYSS H      29 CYSS HA      3.14            #peak  9681
 14 LEU  HA     14 LEU  HB2     2.90            #peak  9682
 24 SER  H      24 SER  HB3     3.39            #peak  9811
 24 SER  HB3    25 GLY  H       3.02            #peak  9831
  5 CYSS HB3     6 TYR  H       3.67            #peak  9881
  5 CYSS HB3     9 ARG  H       4.17            #peak  9911
  5 CYSS H       5 CYSS HB3     3.08            #peak  9921
  5 CYSS HB3     8 GLY  H       3.61            #peak  9931
 16 CYSS H      16 CYSS HB3     2.68            #peak  9951
 13 GLY  H      14 LEU  H       3.27            #peak 10321
  6 TYR  HA      7 ARG  H       3.25            #peak 10601
 18 LYS  H      18 LYS  HA      3.21            #peak 10691
 18 LYS  HA     19 TYR  H       3.76            #peak 10701
 24 SER  HA     24 SER  HB3     2.93            #peak 10852
 24 SER  HA     24 SER  HB2     2.93            #peak 10882
  5 CYSS HA      5 CYSS HB3     3.21            #peak 10932
  5 CYSS HA      5 CYSS HB2     2.68            #peak 10952
 14 LEU  H      15 CYSS H       5.00            #peak 11051
 13 GLY  H      14 LEU  H       3.05            #peak 11111
 21 TYR  HA     22 CYSS H       2.55            #peak 11151
 21 TYR  H      21 TYR  HA      3.27            #peak 11171
  5 CYSS H      21 TYR  HA      3.14            #peak 11221
 26 PRO  HA     26 PRO  HB3     2.71            #peak 11432
 26 PRO  HA     26 PRO  HB2     3.24            #peak 11472
 20 GLY  HA2    21 TYR  H       3.30            #peak 11561
  5 CYSS H      20 GLY  HA2     4.23            #peak 11591
 15 CYSS HB2    16 CYSS H       3.98            #peak 11631
 15 CYSS H      15 CYSS HB2     2.83            #peak 11641
  3 GLY  H       4 GLN  H       4.51            #peak 11711
  6 TYR  H       9 ARG  H       3.24            #peak 11851
  8 GLY  H       9 ARG  H       3.33            #peak 11941
  4 GLN  H       5 CYSS H       4.45            #peak 11961
  5 CYSS H      22 CYSS H       3.98            #peak 11991
 16 CYSS HA     17 SER  H       2.46            #peak 12151
  2 ALA  H       2 ALA  HA      4.66            #peak 12191
 22 CYSS HB2    23 GLY  H       3.36            #peak 12271
 25 GLY  HA3    25 GLY  HA2     2.40            #peak 12302
 29 CYSS H      29 CYSS HB2     2.74            #peak 12581
 22 CYSS HA     22 CYSS HB3     2.96            #peak 12782
 19 TYR  HB2    21 TYR  H       4.20            #peak 12911
 19 TYR  HB2    20 GLY  H       3.83            #peak 12921
 19 TYR  H      19 TYR  HB2     2.90            #peak 12951
  8 GLY  HA3     9 ARG  H       3.55            #peak 13011
  8 GLY  H       8 GLY  HA3     2.96            #peak 13031
 15 CYSS HA     16 CYSS H       2.55            #peak 13101
 15 CYSS H      15 CYSS HA      3.33            #peak 13111
 27 ALA  H      27 ALA  HA      3.27            #peak 13571
  4 GLN  H       4 GLN  HB2     2.77            #peak 13601
  4 GLN  HB2     5 CYSS H       3.42            #peak 13661
 22 CYSS HA     23 GLY  H       2.46            #peak 13811
 15 CYSS H      22 CYSS HA      5.22            #peak 13851
 17 SER  H      22 CYSS HA      3.98            #peak 13861
 28 TYR  H      29 CYSS H       2.52            #peak 14361
 29 CYSS H      30 GLY  H       3.11            #peak 14471
 15 CYSS H      24 SER  HA      3.98            #peak 14551
 24 SER  H      24 SER  HA      3.21            #peak 14571
 24 SER  HA     25 GLY  H       2.65            #peak 14601
 19 TYR  HA     20 GLY  H       3.70            #peak 14691
  7 ARG  H       8 GLY  H       3.52            #peak 14761
 17 SER  HB3    18 LYS  H       2.90            #peak 14921
 17 SER  HB3    21 TYR  H       4.48            #peak 14931
 17 SER  HB3    19 TYR  H       3.36            #peak 14951
 17 SER  H      17 SER  HB3     3.48            #peak 14971
  7 ARG  HA      7 ARG  HB2     3.17            #peak 15032
 10 CYSS HB2    14 LEU  HB3     3.39            #peak     3
  7 ARG  HA      7 ARG  HG3     3.24            #peak     4
  7 ARG  HB3     7 ARG  HG3     2.93            #peak     8
 10 CYSS HB3    14 LEU  HB3     2.65            #peak     9
 26 PRO  HG3    27 ALA  H       5.50            #peak    51
 10 CYSS HB3    15 CYSS H       5.50            #peak   221
 14 LEU  H      14 LEU  HG      2.93            #peak   351
 28 TYR  HB2    28 TYR  QD      5.46            #peak   552
  4 GLN  H       4 GLN  HG3     3.76            #peak   591
  4 GLN  HG3     4 GLN  HE22    5.50            #peak   601
 17 SER  HB2    28 TYR  QD      5.52            #peak   712
  7 ARG  HB3     7 ARG  HG2     3.30            #peak   781
 15 CYSS H      24 SER  HB2     5.50            #peak  1121
 23 GLY  H      28 TYR  HB3     3.89            #peak  1221
 15 CYSS H      28 TYR  HB3     4.82            #peak  1241
 18 LYS  H      18 LYS  QE      6.38            #peak  1391
 14 LEU  HB3    22 CYSS HB2     4.04            #peak  1472
 14 LEU  HB3    22 CYSS HB3     4.72            #peak  1532
 14 LEU  HB3    14 LEU  HB2     2.40            #peak  1562
 17 SER  HA     17 SER  HG      5.50            #peak  1601
 21 TYR  HB2    21 TYR  QD      5.80            #peak  1692
  7 ARG  HA      7 ARG  HG2     4.66            #peak  1822
  7 ARG  HG2     7 ARG  QD      4.58            #peak  1832
 28 TYR  H      28 TYR  QD      6.30            #peak  1901
 23 GLY  HA2    28 TYR  QD      7.01            #peak  1911
 28 TYR  QD     28 TYR  HB3     5.49            #peak  1921
 23 GLY  H      28 TYR  QD      6.73            #peak  1941
 22 CYSS H      28 TYR  QD      7.63            #peak  1961
 18 LYS  H      28 TYR  QD      7.63            #peak  1971
 16 CYSS H      28 TYR  QD      7.63            #peak  1981
  4 GLN  HA     21 TYR  QD      7.35            #peak  1982
 17 SER  HG     28 TYR  QD      7.63            #peak  1991
 15 CYSS H      28 TYR  QD      7.63            #peak  2001
 28 TYR  HA     28 TYR  QD      7.50            #peak  2021
 28 TYR  QD     28 TYR  HB2     5.61            #peak  2041
 24 SER  H      28 TYR  QD      7.01            #peak  2051
 17 SER  HB2    28 TYR  QD      7.50            #peak  2061
 23 GLY  HA3    28 TYR  QD      7.63            #peak  2081
 25 GLY  HA2    26 PRO  HD2     2.52            #peak  2082
 17 SER  H      28 TYR  QD      6.61            #peak  2091
 25 GLY  H      28 TYR  QD      7.63            #peak  2101
 28 TYR  QD     29 CYSS H       7.63            #peak  2131
 17 SER  HB3    28 TYR  QD      7.63            #peak  2141
 15 CYSS HB3    29 CYSS HA      2.93            #peak  2632
 18 LYS  H      19 TYR  QD      7.63            #peak  2751
 17 SER  HG     19 TYR  QD      7.63            #peak  2761
 19 TYR  QD     19 TYR  HB3     6.48            #peak  2771
 19 TYR  H      19 TYR  QD      7.26            #peak  2781
 19 TYR  QD     19 TYR  HB2     5.86            #peak  2801
  9 ARG  H       9 ARG  QD      6.38            #peak  3131
 26 PRO  HD3    26 PRO  HG2     3.14            #peak  3332
 26 PRO  HD3    26 PRO  HG3     3.30            #peak  3362
 26 PRO  HD3    26 PRO  HB3     5.50            #peak  3372
 26 PRO  HD3    26 PRO  HB2     4.54            #peak  3402
 21 TYR  HA     21 TYR  QD      6.79            #peak  3782
 21 TYR  QD     21 TYR  HB3     5.86            #peak  3861
  4 GLN  H      21 TYR  QD      7.63            #peak  3871
 21 TYR  QD     22 CYSS H       7.63            #peak  3881
 21 TYR  H      21 TYR  QD      7.10            #peak  3901
 17 SER  HG     21 TYR  QD      7.63            #peak  3921
 19 TYR  HB3    21 TYR  QD      7.44            #peak  3931
 19 TYR  H      21 TYR  QD      7.63            #peak  3941
 21 TYR  QD     21 TYR  HB2     5.83            #peak  3951
 19 TYR  HB2    21 TYR  QD      6.51            #peak  3991
 15 CYSS HB2    15 CYSS HB3     2.40            #peak  4122
 17 SER  HG     21 TYR  H       4.79            #peak  4171
  4 GLN  HG3     4 GLN  HE22    5.50            #peak  4411
 19 TYR  HB2    19 TYR  QD      5.61            #peak  4982
 19 TYR  HB2    21 TYR  QD      6.57            #peak  4992
 19 TYR  HB2    19 TYR  HB3     2.40            #peak  5022
 26 PRO  HD2    26 PRO  HG2     3.21            #peak  5092
 26 PRO  HD2    26 PRO  HG3     3.17            #peak  5132
 26 PRO  HD2    26 PRO  HB3     5.50            #peak  5142
  7 ARG  HB3     7 ARG  HG2     2.86            #peak  5371
  7 ARG  H       7 ARG  HG2     4.29            #peak  5381
 17 SER  HG     21 TYR  H       4.94            #peak  5481
 17 SER  HG     19 TYR  H       4.07            #peak  5501
 17 SER  H      17 SER  HG      5.50            #peak  5531
  6 TYR  HA      6 TYR  QD      6.08            #peak  5582
  9 ARG  QG      9 ARG  QD      5.62            #peak  5842
 18 LYS  HA     18 LYS  HG3     5.19            #peak  6062
 18 LYS  HA     18 LYS  HG2     5.50            #peak  6102
 19 TYR  HA     19 TYR  QD      6.11            #peak  6462
 14 LEU  HB2    23 GLY  H       3.33            #peak  6601
 17 SER  HB3    28 TYR  QD      7.35            #peak  6982
 10 CYSS HB3    10 CYSS HB2     2.40            #peak  7472
 23 GLY  H      28 TYR  HB2     5.50            #peak  7551
 15 CYSS H      28 TYR  HB2     5.50            #peak  7561
 23 GLY  HA2    28 TYR  QD      7.10            #peak  7812
 17 SER  HG     19 TYR  H       3.83            #peak  7931
 17 SER  HB2    17 SER  HG      3.70            #peak  8141
  7 ARG  HB3     7 ARG  QD      4.89            #peak  8152
  7 ARG  HB3     7 ARG  HG3     3.27            #peak  8172
  6 TYR  QD      6 TYR  QB      6.87            #peak  8191
  6 TYR  QD      7 ARG  H       7.63            #peak  8201
  6 TYR  H       6 TYR  QD      7.63            #peak  8211
 26 PRO  HG2    27 ALA  H       4.79            #peak  8381
 23 GLY  HA2    28 TYR  QE      7.39            #peak  8431
 28 TYR  QE     28 TYR  HB3     7.63            #peak  8441
 21 TYR  HB3    28 TYR  QE      6.39            #peak  8461
 23 GLY  H      28 TYR  QE      7.63            #peak  8471
 22 CYSS H      28 TYR  QE      7.63            #peak  8491
 28 TYR  HB3    28 TYR  HB2     2.40            #peak  8502
 28 TYR  QE     28 TYR  HB2     7.63            #peak  8531
 21 TYR  HB2    28 TYR  QE      6.21            #peak  8551
 23 GLY  HA3    28 TYR  QE      7.63            #peak  8561
 28 TYR  HB3    28 TYR  QD      5.24            #peak  8562
 17 SER  H      28 TYR  QE      7.63            #peak  8571
 14 LEU  HB3    23 GLY  H       5.31            #peak  8701
 17 SER  HG     21 TYR  HB2     5.10            #peak  8841
  4 GLN  HA      4 GLN  HG3     4.01            #peak  8981
 22 CYSS HA     28 TYR  QD      7.63            #peak  9362
  4 GLN  HG2     4 GLN  HE22    4.85            #peak  9381
 21 TYR  HB3    28 TYR  QE      6.18            #peak  9752
  9 ARG  H       9 ARG  QG      5.33            #peak  9771
 21 TYR  HB3    21 TYR  QD      5.71            #peak  9812
 18 LYS  H      18 LYS  HG3     3.67            #peak 10011
 18 LYS  HG3    19 TYR  H       5.50            #peak 10021
  7 ARG  HG3     7 ARG  QD      4.77            #peak 10042
 26 PRO  HD3    27 ALA  H       4.29            #peak 10811
 21 TYR  QE     21 TYR  HB3     7.63            #peak 10851
 19 TYR  HB3    21 TYR  QE      7.63            #peak 10891
 19 TYR  HB2    21 TYR  QE      7.63            #peak 10941
 18 LYS  HG2    18 LYS  HG3     2.40            #peak 11002
  4 GLN  HG3     4 GLN  HE21    5.50            #peak 11411
 19 TYR  QE     19 TYR  HB3     7.63            #peak 11501
 19 TYR  QE     19 TYR  HB2     7.63            #peak 11531
 15 CYSS HB2    23 GLY  H       5.19            #peak 11611
 15 CYSS HB2    29 CYSS H       5.16            #peak 11691
 15 CYSS HB3    15 CYSS HB2     2.40            #peak 12152
  6 TYR  QB      6 TYR  QD      6.59            #peak 12222
 25 GLY  HA3    26 PRO  HD3     2.90            #peak 12312
 25 GLY  HA3    26 PRO  HD2     3.11            #peak 12322
 26 PRO  HD2    27 ALA  H       5.50            #peak 12501
 19 TYR  HB3    19 TYR  HB2     2.40            #peak 13012
 19 TYR  HB3    19 TYR  QD      6.08            #peak 13032
 19 TYR  HB3    21 TYR  QD      7.44            #peak 13042
  9 ARG  QG      9 ARG  QD      5.56            #peak 13892
  7 ARG  H       7 ARG  HG3     5.04            #peak 13911
  9 ARG  QB      9 ARG  QD      7.26            #peak 13922
 14 LEU  HB2    14 LEU  HB3     2.40            #peak 14252
 14 LEU  HB2    22 CYSS HB2     3.70            #peak 14282
 10 CYSS HB3    14 LEU  HB2     4.20            #peak 14292
 14 LEU  HB2    22 CYSS HB3     4.38            #peak 14342
 10 CYSS HB2    14 LEU  HB2     5.50            #peak 14362
 28 TYR  HA     28 TYR  QD      6.64            #peak 14492
 15 CYSS HB2    24 SER  HA      5.50            #peak 14591
 17 SER  HB3    17 SER  HG      3.73            #peak 14941
  7 ARG  HB2     7 ARG  QD      5.11            #peak 15042
 18 LYS  H      18 LYS  HG2     5.13            #peak 15061
 18 LYS  HG2    19 TYR  H       5.50            #peak 15071
 14 LEU  HB3    14 LEU  QD1     4.44            #peak   892
 14 LEU  QD1    22 CYSS HB2     4.69            #peak   922
 10 CYSS HB3    14 LEU  QD1     6.52            #peak   942
 14 LEU  QD1    22 CYSS HB3     5.19            #peak  1012
 14 LEU  HB2    14 LEU  QD1     4.47            #peak  1042
 27 ALA  QB     28 TYR  H       5.03            #peak  3211
 27 ALA  H      27 ALA  QB      4.01            #peak  3241
  2 ALA  H       2 ALA  QB      6.52            #peak  3281
 14 LEU  QD1    14 LEU  HG      3.98            #peak  4841
 14 LEU  QD1    23 GLY  H       6.52            #peak  4871
 14 LEU  QD1    22 CYSS H       6.52            #peak  4881
 14 LEU  QD1    15 CYSS H       6.52            #peak  4921
 14 LEU  QD1    23 GLY  HA3     5.31            #peak  4961
 14 LEU  H      14 LEU  QD1     5.93            #peak  4971
 14 LEU  QD1    22 CYSS HA      6.52            #peak  5001
  1 ALA  QB      1 ALA  HA      5.77            #peak  6632
 14 LEU  QD2    24 SER  HB3     5.15            #peak  9052
 14 LEU  QD2    22 CYSS HB2     6.52            #peak  9082
 14 LEU  QD2    24 SER  HB2     4.75            #peak  9122
 14 LEU  QD2    22 CYSS HB3     6.52            #peak  9162
 14 LEU  HB2    14 LEU  QD2     4.69            #peak  9192
 14 LEU  HA     14 LEU  QD2     3.95            #peak  9652
  2 ALA  QB      2 ALA  HA      6.27            #peak 11072
 14 LEU  QD2    14 LEU  HG      3.85            #peak 13311
 14 LEU  QD2    23 GLY  H       6.52            #peak 13351
 14 LEU  QD2    15 CYSS H       5.74            #peak 13391
 14 LEU  QD2    24 SER  H       5.68            #peak 13411
 14 LEU  HB3    14 LEU  QD2     5.06            #peak 13421
 14 LEU  QD2    23 GLY  HA3     4.78            #peak 13431
 14 LEU  H      14 LEU  QD2     5.65            #peak 13451
  1 ALA  H       1 ALA  QB      6.52            #peak 14091
 27 ALA  QB     28 TYR  QE      7.94            #peak 14092
 27 ALA  QB     28 TYR  QD      7.28            #peak 14112
 27 ALA  QB     27 ALA  HA      3.91            #peak 14122
1 ALA H 2 ALA HA 3.5 #peak 7
1 ALA H 2 ALA HA 3.5 #peak 8
1 ALA H 3 GLY HA2 3.5 #peak 13
1 ALA H 3 GLY HA3 3.5 #peak 15
1 ALA H 4 GLN HA 3.5 #peak 19
1 ALA H 4 GLN HA 3.5 #peak 20
1 ALA H 4 GLN HB3 3.5 #peak 23
1 ALA H 4 GLN HB3 3.5 #peak 24
1 ALA H 4 GLN HG2 3.5 #peak 26
1 ALA H 4 GLN HG3 3.5 #peak 27
1 ALA H 4 GLN HG3 3.5 #peak 28
1 ALA H 5 CYSS HA 3.5 #peak 35
1 ALA H 5 CYSS HA 3.5 #peak 36
1 ALA H 5 CYSS HB3 3.5 #peak 39
1 ALA H 7 ARG H 3.5 #peak 51
1 ALA H 7 ARG H 3.5 #peak 52
1 ALA H 7 ARG HA 3.5 #peak 53
1 ALA H 7 ARG HA 3.5 #peak 54
1 ALA H 7 ARG HG2 3.5 #peak 59
1 ALA H 7 ARG HG3 3.5 #peak 61
1 ALA H 7 ARG HG3 3.5 #peak 62
1 ALA H 8 GLY HA3 3.5 #peak 69
1 ALA H 8 GLY HA3 3.5 #peak 70
1 ALA H 9 ARG QB 3.5 #peak 75
1 ALA H 9 ARG QB 3.5 #peak 76
1 ALA H 9 ARG QG 3.5 #peak 77
1 ALA H 10 CYSS HA 3.5 #peak 86
1 ALA H 10 CYSS HB2 3.5 #peak 88
1 ALA H 10 CYSS HB3 3.5 #peak 89
1 ALA H 10 CYSS HB3 3.5 #peak 90
1 ALA H 11 SER QB 3.5 #peak 96
1 ALA H 14 LEU H 3.5 #peak 108
1 ALA H 15 CYSS HA 3.5 #peak 123
1 ALA H 15 CYSS HA 3.5 #peak 124
1 ALA H 17 SER H 3.5 #peak 135
1 ALA H 17 SER H 3.5 #peak 136
1 ALA H 17 SER HB3 3.5 #peak 137
1 ALA H 17 SER HB3 3.5 #peak 138
1 ALA H 17 SER HG 3.5 #peak 141
1 ALA H 19 TYR H 3.5 #peak 143
1 ALA H 19 TYR H 3.5 #peak 144
1 ALA H 19 TYR HB3 3.5 #peak 149
1 ALA H 19 TYR HB3 3.5 #peak 150
1 ALA H 20 GLY HA2 3.5 #peak 157
1 ALA H 20 GLY HA2 3.5 #peak 158
1 ALA H 21 TYR HA 3.5 #peak 164
1 ALA H 22 CYSS HA 3.5 #peak 176
1 ALA H 23 GLY HA2 3.5 #peak 183
1 ALA H 23 GLY HA3 3.5 #peak 185
1 ALA H 23 GLY HA3 3.5 #peak 186
1 ALA HA 3 GLY H 3.5 #peak 217
1 ALA HA 3 GLY H 3.5 #peak 218
1 ALA HA 4 GLN H 3.5 #peak 223
1 ALA HA 4 GLN H 3.5 #peak 224
1 ALA HA 4 GLN HB2 3.5 #peak 228
1 ALA HA 4 GLN HB3 3.5 #peak 230
1 ALA HA 4 GLN HE22 3.5 #peak 237
1 ALA HA 4 GLN HE22 3.5 #peak 238
1 ALA HA 5 CYSS HB3 3.5 #peak 246
1 ALA HA 6 TYR H 3.5 #peak 247
1 ALA HA 6 TYR H 3.5 #peak 248
1 ALA HA 7 ARG H 3.5 #peak 257
1 ALA HA 7 ARG H 3.5 #peak 258
1 ALA HA 7 ARG HG2 3.5 #peak 265
1 ALA HA 7 ARG HG2 3.5 #peak 266
1 ALA HA 7 ARG HG3 3.5 #peak 267
1 ALA HA 7 ARG HG3 3.5 #peak 268
1 ALA HA 8 GLY H 3.5 #peak 271
1 ALA HA 8 GLY H 3.5 #peak 272
1 ALA HA 9 ARG H 3.5 #peak 277
1 ALA HA 9 ARG H 3.5 #peak 278
1 ALA HA 9 ARG QB 3.5 #peak 282
1 ALA HA 10 CYSS H 3.5 #peak 289
1 ALA HA 10 CYSS H 3.5 #peak 290
1 ALA HA 10 CYSS HB2 3.5 #peak 293
1 ALA HA 10 CYSS HB2 3.5 #peak 294
1 ALA HA 10 CYSS HB3 3.5 #peak 296
1 ALA HA 11 SER H 3.5 #peak 297
1 ALA HA 11 SER H 3.5 #peak 298
1 ALA HA 12 GLY H 3.5 #peak 303
1 ALA HA 12 GLY H 3.5 #peak 304
1 ALA HA 13 GLY H 3.5 #peak 307
1 ALA HA 13 GLY H 3.5 #peak 308
1 ALA HA 15 CYSS HB2 3.5 #peak 331
1 ALA HA 15 CYSS HB2 3.5 #peak 332
1 ALA HA 17 SER HG 3.5 #peak 345
1 ALA HA 17 SER HG 3.5 #peak 346
1 ALA HA 18 LYS H 3.5 #peak 347
1 ALA HA 18 LYS H 3.5 #peak 348
1 ALA HA 19 TYR H 3.5 #peak 350
1 ALA HA 21 TYR H 3.5 #peak 367
1 ALA HA 21 TYR H 3.5 #peak 368
1 ALA HA 21 TYR HB3 3.5 #peak 374
1 ALA HA 22 CYSS H 3.5 #peak 379
1 ALA HA 22 CYSS H 3.5 #peak 380
1 ALA HA 22 CYSS HA 3.5 #peak 381
1 ALA HA 22 CYSS HA 3.5 #peak 382
1 ALA HA 28 TYR HB2 3.5 #peak 409
1 ALA HA 28 TYR HB2 3.5 #peak 410
1 ALA QB 3 GLY H 3.5 #peak 423
1 ALA QB 8 GLY H 3.5 #peak 477
1 ALA QB 17 SER H 3.5 #peak 549
1 ALA QB 18 LYS H 3.5 #peak 559
1 ALA QB 19 TYR H 3.5 #peak 569
1 ALA QB 24 SER H 3.5 #peak 613
1 ALA QB 25 GLY H 3.5 #peak 621
2 ALA H 3 GLY HA2 3.5 #peak 657
2 ALA H 3 GLY HA2 3.5 #peak 658
2 ALA H 3 GLY HA3 3.5 #peak 659
2 ALA H 3 GLY HA3 3.5 #peak 660
2 ALA H 4 GLN HA 3.5 #peak 663
2 ALA H 4 GLN HA 3.5 #peak 664
2 ALA H 4 GLN HB2 3.5 #peak 665
2 ALA H 4 GLN HB2 3.5 #peak 666
2 ALA H 4 GLN HB3 3.5 #peak 667
2 ALA H 4 GLN HB3 3.5 #peak 668
2 ALA H 4 GLN HG2 3.5 #peak 670
2 ALA H 4 GLN HG3 3.5 #peak 671
2 ALA H 4 GLN HG3 3.5 #peak 672
2 ALA H 4 GLN HE22 3.5 #peak 675
2 ALA H 4 GLN HE22 3.5 #peak 676
2 ALA H 5 CYSS HA 3.5 #peak 679
2 ALA H 5 CYSS HA 3.5 #peak 680
2 ALA H 5 CYSS HB3 3.5 #peak 683
2 ALA H 5 CYSS HB3 3.5 #peak 684
2 ALA H 7 ARG H 3.5 #peak 695
2 ALA H 7 ARG H 3.5 #peak 696
2 ALA H 7 ARG HA 3.5 #peak 697
2 ALA H 7 ARG HA 3.5 #peak 698
2 ALA H 7 ARG HB3 3.5 #peak 701
2 ALA H 7 ARG HB3 3.5 #peak 702
2 ALA H 7 ARG HG2 3.5 #peak 703
2 ALA H 7 ARG HG2 3.5 #peak 704
2 ALA H 7 ARG HG3 3.5 #peak 705
2 ALA H 7 ARG HG3 3.5 #peak 706
2 ALA H 8 GLY HA3 3.5 #peak 713
2 ALA H 8 GLY HA3 3.5 #peak 714
2 ALA H 9 ARG QB 3.5 #peak 719
2 ALA H 9 ARG QB 3.5 #peak 720
2 ALA H 9 ARG QD 3.5 #peak 723
2 ALA H 10 CYSS HA 3.5 #peak 730
2 ALA H 10 CYSS HB3 3.5 #peak 733
2 ALA H 10 CYSS HB3 3.5 #peak 734
2 ALA H 11 SER QB 3.5 #peak 740
2 ALA H 12 GLY QA 3.5 #peak 744
2 ALA H 14 LEU H 3.5 #peak 751
2 ALA H 14 LEU H 3.5 #peak 752
2 ALA H 14 LEU HA 3.5 #peak 753
2 ALA H 14 LEU HA 3.5 #peak 754
2 ALA H 14 LEU HB3 3.5 #peak 755
2 ALA H 14 LEU HB3 3.5 #peak 756
2 ALA H 14 LEU HG 3.5 #peak 759
2 ALA H 14 LEU HG 3.5 #peak 760
2 ALA H 15 CYSS H 3.5 #peak 766
2 ALA H 15 CYSS HA 3.5 #peak 767
2 ALA H 15 CYSS HA 3.5 #peak 768
2 ALA H 16 CYSS HA 3.5 #peak 774
2 ALA H 17 SER H 3.5 #peak 777
2 ALA H 17 SER H 3.5 #peak 778
2 ALA H 17 SER HA 3.5 #peak 780
2 ALA H 17 SER HB3 3.5 #peak 781
2 ALA H 17 SER HB3 3.5 #peak 782
2 ALA H 17 SER HB2 3.5 #peak 783
2 ALA H 17 SER HB2 3.5 #peak 784
2 ALA H 17 SER HG 3.5 #peak 785
2 ALA H 17 SER HG 3.5 #peak 786
2 ALA H 19 TYR H 3.5 #peak 788
2 ALA H 19 TYR HB3 3.5 #peak 793
2 ALA H 19 TYR HB3 3.5 #peak 794
2 ALA H 20 GLY HA2 3.5 #peak 799
2 ALA H 20 GLY HA2 3.5 #peak 800
2 ALA H 20 GLY HA3 3.5 #peak 802
2 ALA H 21 TYR H 3.5 #peak 803
2 ALA H 21 TYR HA 3.5 #peak 806
2 ALA H 21 TYR HB3 3.5 #peak 810
2 ALA H 21 TYR QD 3.5 #peak 812
2 ALA H 22 CYSS HA 3.5 #peak 817
2 ALA H 22 CYSS HA 3.5 #peak 818
2 ALA H 23 GLY HA2 3.5 #peak 825
2 ALA H 23 GLY HA2 3.5 #peak 826
2 ALA H 23 GLY HA3 3.5 #peak 827
2 ALA H 23 GLY HA3 3.5 #peak 828
2 ALA H 24 SER HA 3.5 #peak 832
2 ALA H 28 TYR HA 3.5 #peak 841
2 ALA H 28 TYR HA 3.5 #peak 842
2 ALA H 28 TYR HB2 3.5 #peak 843
2 ALA H 28 TYR HB2 3.5 #peak 844
2 ALA H 28 TYR QE 3.5 #peak 850
2 ALA HA 3 GLY H 3.5 #peak 853
2 ALA HA 3 GLY H 3.5 #peak 854
2 ALA HA 4 GLN HB2 3.5 #peak 864
2 ALA HA 4 GLN HB3 3.5 #peak 865
2 ALA HA 4 GLN HB3 3.5 #peak 866
2 ALA HA 4 GLN HE22 3.5 #peak 873
2 ALA HA 4 GLN HE22 3.5 #peak 874
2 ALA HA 5 CYSS H 3.5 #peak 875
2 ALA HA 5 CYSS H 3.5 #peak 876
2 ALA HA 5 CYSS HB2 3.5 #peak 879
2 ALA HA 5 CYSS HB3 3.5 #peak 882
2 ALA HA 6 TYR H 3.5 #peak 883
2 ALA HA 6 TYR H 3.5 #peak 884
2 ALA HA 7 ARG H 3.5 #peak 893
2 ALA HA 7 ARG H 3.5 #peak 894
2 ALA HA 7 ARG HB3 3.5 #peak 899
2 ALA HA 7 ARG HB3 3.5 #peak 900
2 ALA HA 7 ARG HG2 3.5 #peak 901
2 ALA HA 7 ARG HG2 3.5 #peak 902
2 ALA HA 7 ARG HG3 3.5 #peak 903
2 ALA HA 7 ARG HG3 3.5 #peak 904
2 ALA HA 8 GLY H 3.5 #peak 907
2 ALA HA 8 GLY H 3.5 #peak 908
2 ALA HA 9 ARG H 3.5 #peak 913
2 ALA HA 9 ARG H 3.5 #peak 914
2 ALA HA 9 ARG QB 3.5 #peak 918
2 ALA HA 9 ARG QD 3.5 #peak 922
2 ALA HA 10 CYSS H 3.5 #peak 925
2 ALA HA 10 CYSS H 3.5 #peak 926
2 ALA HA 10 CYSS HB2 3.5 #peak 929
2 ALA HA 10 CYSS HB2 3.5 #peak 930
2 ALA HA 12 GLY H 3.5 #peak 939
2 ALA HA 12 GLY H 3.5 #peak 940
2 ALA HA 13 GLY H 3.5 #peak 943
2 ALA HA 13 GLY H 3.5 #peak 944
2 ALA HA 14 LEU H 3.5 #peak 948
2 ALA HA 14 LEU HB3 3.5 #peak 951
2 ALA HA 14 LEU HB3 3.5 #peak 952
2 ALA HA 14 LEU HG 3.5 #peak 955
2 ALA HA 15 CYSS H 3.5 #peak 961
2 ALA HA 15 CYSS H 3.5 #peak 962
2 ALA HA 15 CYSS HB2 3.5 #peak 966
2 ALA HA 16 CYSS H 3.5 #peak 970
2 ALA HA 17 SER HG 3.5 #peak 983
2 ALA HA 17 SER HG 3.5 #peak 984
2 ALA HA 19 TYR HB2 3.5 #peak 987
2 ALA HA 21 TYR H 3.5 #peak 999
2 ALA HA 21 TYR H 3.5 #peak 1000
2 ALA HA 21 TYR HB3 3.5 #peak 1006
2 ALA HA 22 CYSS H 3.5 #peak 1011
2 ALA HA 22 CYSS H 3.5 #peak 1012
2 ALA HA 22 CYSS HA 3.5 #peak 1013
2 ALA HA 22 CYSS HA 3.5 #peak 1014
2 ALA HA 22 CYSS HB2 3.5 #peak 1017
2 ALA HA 23 GLY H 3.5 #peak 1019
2 ALA HA 23 GLY H 3.5 #peak 1020
2 ALA HA 25 GLY H 3.5 #peak 1033
2 ALA HA 25 GLY H 3.5 #peak 1034
2 ALA HA 28 TYR HB2 3.5 #peak 1037
2 ALA HA 28 TYR HB2 3.5 #peak 1038
2 ALA HA 28 TYR HB3 3.5 #peak 1039
2 ALA QB 4 GLN H 3.5 #peak 1051
2 ALA QB 4 GLN HA 3.5 #peak 1053
2 ALA QB 5 CYSS HA 3.5 #peak 1069
2 ALA QB 8 GLY H 3.5 #peak 1099
2 ALA QB 15 CYSS HA 3.5 #peak 1157
2 ALA QB 17 SER HB3 3.5 #peak 1175
2 ALA QB 17 SER HG 3.5 #peak 1179
2 ALA QB 18 LYS H 3.5 #peak 1181
2 ALA QB 19 TYR H 3.5 #peak 1185
2 ALA QB 25 GLY H 3.5 #peak 1237
3 GLY H 4 GLN HB2 3.5 #peak 1273
3 GLY H 4 GLN HB3 3.5 #peak 1276
3 GLY H 4 GLN HG2 3.5 #peak 1278
3 GLY H 4 GLN HG3 3.5 #peak 1279
3 GLY H 4 GLN HG3 3.5 #peak 1280
3 GLY H 4 GLN HE22 3.5 #peak 1283
3 GLY H 4 GLN HE22 3.5 #peak 1284
3 GLY H 5 CYSS H 3.5 #peak 1286
3 GLY H 5 CYSS HB2 3.5 #peak 1289
3 GLY H 5 CYSS HB3 3.5 #peak 1291
3 GLY H 5 CYSS HB3 3.5 #peak 1292
3 GLY H 6 TYR QD 3.5 #peak 1300
3 GLY H 7 ARG H 3.5 #peak 1303
3 GLY H 7 ARG H 3.5 #peak 1304
3 GLY H 7 ARG HA 3.5 #peak 1305
3 GLY H 7 ARG HA 3.5 #peak 1306
3 GLY H 7 ARG HB2 3.5 #peak 1308
3 GLY H 7 ARG HB3 3.5 #peak 1309
3 GLY H 7 ARG HB3 3.5 #peak 1310
3 GLY H 7 ARG HG2 3.5 #peak 1311
3 GLY H 7 ARG HG2 3.5 #peak 1312
3 GLY H 7 ARG HG3 3.5 #peak 1313
3 GLY H 7 ARG HG3 3.5 #peak 1314
3 GLY H 8 GLY HA2 3.5 #peak 1319
3 GLY H 8 GLY HA2 3.5 #peak 1320
3 GLY H 9 ARG QB 3.5 #peak 1327
3 GLY H 9 ARG QB 3.5 #peak 1328
3 GLY H 9 ARG QG 3.5 #peak 1329
3 GLY H 9 ARG QG 3.5 #peak 1330
3 GLY H 9 ARG QD 3.5 #peak 1331
3 GLY H 9 ARG HE 3.5 #peak 1334
3 GLY H 10 CYSS HA 3.5 #peak 1338
3 GLY H 10 CYSS HB2 3.5 #peak 1339
3 GLY H 10 CYSS HB2 3.5 #peak 1340
3 GLY H 10 CYSS HB3 3.5 #peak 1341
3 GLY H 10 CYSS HB3 3.5 #peak 1342
3 GLY H 11 SER QB 3.5 #peak 1348
3 GLY H 14 LEU H 3.5 #peak 1357
3 GLY H 14 LEU HA 3.5 #peak 1359
3 GLY H 14 LEU HA 3.5 #peak 1360
3 GLY H 14 LEU HB3 3.5 #peak 1361
3 GLY H 14 LEU HB3 3.5 #peak 1362
3 GLY H 14 LEU HB2 3.5 #peak 1364
3 GLY H 14 LEU HG 3.5 #peak 1365
3 GLY H 14 LEU HG 3.5 #peak 1366
3 GLY H 15 CYSS HA 3.5 #peak 1373
3 GLY H 15 CYSS HB2 3.5 #peak 1375
3 GLY H 15 CYSS HB2 3.5 #peak 1376
3 GLY H 17 SER HB2 3.5 #peak 1389
3 GLY H 17 SER HB2 3.5 #peak 1390
3 GLY H 17 SER HG 3.5 #peak 1391
3 GLY H 17 SER HG 3.5 #peak 1392
3 GLY H 19 TYR H 3.5 #peak 1395
3 GLY H 19 TYR H 3.5 #peak 1396
3 GLY H 19 TYR HB2 3.5 #peak 1399
3 GLY H 19 TYR HB3 3.5 #peak 1401
3 GLY H 19 TYR HB3 3.5 #peak 1402
3 GLY H 19 TYR QD 3.5 #peak 1404
3 GLY H 20 GLY H 3.5 #peak 1406
3 GLY H 20 GLY HA2 3.5 #peak 1408
3 GLY H 21 TYR H 3.5 #peak 1412
3 GLY H 21 TYR HA 3.5 #peak 1414
3 GLY H 21 TYR HB2 3.5 #peak 1415
3 GLY H 21 TYR HB3 3.5 #peak 1417
3 GLY H 22 CYSS HA 3.5 #peak 1425
3 GLY H 22 CYSS HA 3.5 #peak 1426
3 GLY H 22 CYSS HB2 3.5 #peak 1429
3 GLY H 23 GLY HA3 3.5 #peak 1435
3 GLY H 23 GLY HA3 3.5 #peak 1436
3 GLY H 24 SER H 3.5 #peak 1438
3 GLY H 24 SER HA 3.5 #peak 1440
3 GLY H 24 SER HB2 3.5 #peak 1441
3 GLY H 24 SER HB2 3.5 #peak 1442
3 GLY H 24 SER HB3 3.5 #peak 1443
3 GLY H 24 SER HB3 3.5 #peak 1444
3 GLY H 28 TYR HB2 3.5 #peak 1446
3 GLY H 28 TYR HB3 3.5 #peak 1447
3 GLY HA2 4 GLN HG2 3.5 #peak 1464
3 GLY HA2 4 GLN HE22 3.5 #peak 1469
3 GLY HA2 4 GLN HE22 3.5 #peak 1470
3 GLY HA2 5 CYSS H 3.5 #peak 1472
3 GLY HA2 6 TYR H 3.5 #peak 1479
3 GLY HA2 6 TYR H 3.5 #peak 1480
3 GLY HA2 7 ARG H 3.5 #peak 1489
3 GLY HA2 7 ARG H 3.5 #peak 1490
3 GLY HA2 7 ARG HG2 3.5 #peak 1497
3 GLY HA2 7 ARG HG2 3.5 #peak 1498
3 GLY HA2 7 ARG HG3 3.5 #peak 1499
3 GLY HA2 9 ARG QB 3.5 #peak 1513
3 GLY HA2 9 ARG QB 3.5 #peak 1514
3 GLY HA2 9 ARG HE 3.5 #peak 1520
3 GLY HA2 10 CYSS HB2 3.5 #peak 1526
3 GLY HA2 10 CYSS HB3 3.5 #peak 1528
3 GLY HA2 14 LEU HB3 3.5 #peak 1549
3 GLY HA2 15 CYSS H 3.5 #peak 1559
3 GLY HA2 15 CYSS H 3.5 #peak 1560
3 GLY HA2 15 CYSS HB2 3.5 #peak 1564
3 GLY HA2 17 SER H 3.5 #peak 1575
3 GLY HA2 17 SER HG 3.5 #peak 1583
3 GLY HA2 17 SER HG 3.5 #peak 1584
3 GLY HA2 18 LYS H 3.5 #peak 1585
3 GLY HA2 18 LYS H 3.5 #peak 1586
3 GLY HA2 19 TYR H 3.5 #peak 1590
3 GLY HA2 19 TYR QD 3.5 #peak 1598
3 GLY HA2 22 CYSS H 3.5 #peak 1620
3 GLY HA2 22 CYSS HA 3.5 #peak 1621
3 GLY HA2 22 CYSS HA 3.5 #peak 1622
3 GLY HA2 23 GLY H 3.5 #peak 1627
3 GLY HA3 4 GLN HG3 3.5 #peak 1662
3 GLY HA3 4 GLN HE22 3.5 #peak 1665
3 GLY HA3 4 GLN HE22 3.5 #peak 1666
3 GLY HA3 5 CYSS H 3.5 #peak 1668
3 GLY HA3 5 CYSS HB3 3.5 #peak 1674
3 GLY HA3 7 ARG H 3.5 #peak 1685
3 GLY HA3 7 ARG H 3.5 #peak 1686
3 GLY HA3 7 ARG HB3 3.5 #peak 1691
3 GLY HA3 7 ARG HG2 3.5 #peak 1694
3 GLY HA3 7 ARG HG3 3.5 #peak 1695
3 GLY HA3 7 ARG HG3 3.5 #peak 1696
3 GLY HA3 9 ARG H 3.5 #peak 1705
3 GLY HA3 9 ARG H 3.5 #peak 1706
3 GLY HA3 9 ARG QB 3.5 #peak 1709
3 GLY HA3 9 ARG QB 3.5 #peak 1710
3 GLY HA3 9 ARG QG 3.5 #peak 1711
3 GLY HA3 10 CYSS HB2 3.5 #peak 1722
3 GLY HA3 14 LEU HB3 3.5 #peak 1743
3 GLY HA3 15 CYSS H 3.5 #peak 1753
3 GLY HA3 15 CYSS H 3.5 #peak 1754
3 GLY HA3 16 CYSS H 3.5 #peak 1762
3 GLY HA3 17 SER H 3.5 #peak 1769
3 GLY HA3 17 SER HG 3.5 #peak 1777
3 GLY HA3 17 SER HG 3.5 #peak 1778
3 GLY HA3 18 LYS H 3.5 #peak 1779
3 GLY HA3 18 LYS H 3.5 #peak 1780
3 GLY HA3 19 TYR H 3.5 #peak 1783
3 GLY HA3 19 TYR H 3.5 #peak 1784
3 GLY HA3 21 TYR H 3.5 #peak 1801
3 GLY HA3 22 CYSS HA 3.5 #peak 1815
3 GLY HA3 22 CYSS HA 3.5 #peak 1816
3 GLY HA3 23 GLY H 3.5 #peak 1821
3 GLY HA3 23 GLY H 3.5 #peak 1822
4 GLN H 4 GLN HE22 3.5 #peak 1859
4 GLN H 5 CYSS HB3 3.5 #peak 1867
4 GLN H 5 CYSS HB3 3.5 #peak 1868
4 GLN H 7 ARG H 3.5 #peak 1879
4 GLN H 7 ARG H 3.5 #peak 1880
4 GLN H 7 ARG HA 3.5 #peak 1882
4 GLN H 7 ARG HG3 3.5 #peak 1889
4 GLN H 7 ARG HG3 3.5 #peak 1890
4 GLN H 9 ARG QD 3.5 #peak 1907
4 GLN H 10 CYSS HA 3.5 #peak 1914
4 GLN H 10 CYSS HB2 3.5 #peak 1915
4 GLN H 10 CYSS HB2 3.5 #peak 1916
4 GLN H 10 CYSS HB3 3.5 #peak 1917
4 GLN H 10 CYSS HB3 3.5 #peak 1918
4 GLN H 11 SER QB 3.5 #peak 1924
4 GLN H 14 LEU H 3.5 #peak 1932
4 GLN H 14 LEU HG 3.5 #peak 1939
4 GLN H 14 LEU HG 3.5 #peak 1940
4 GLN H 15 CYSS H 3.5 #peak 1945
4 GLN H 15 CYSS H 3.5 #peak 1946
4 GLN H 15 CYSS HB2 3.5 #peak 1949
4 GLN H 15 CYSS HB2 3.5 #peak 1950
4 GLN H 15 CYSS HB3 3.5 #peak 1951
4 GLN H 16 CYSS HA 3.5 #peak 1956
4 GLN H 17 SER H 3.5 #peak 1961
4 GLN H 17 SER H 3.5 #peak 1962
4 GLN H 17 SER HA 3.5 #peak 1964
4 GLN H 17 SER HB2 3.5 #peak 1967
4 GLN H 17 SER HB2 3.5 #peak 1968
4 GLN H 17 SER HG 3.5 #peak 1969
4 GLN H 17 SER HG 3.5 #peak 1970
4 GLN H 18 LYS HB2 3.5 #peak 1976
4 GLN H 18 LYS HB3 3.5 #peak 1978
4 GLN H 18 LYS HG2 3.5 #peak 1979
4 GLN H 18 LYS HG2 3.5 #peak 1980
4 GLN H 18 LYS HG3 3.5 #peak 1981
4 GLN H 19 TYR HB2 3.5 #peak 1987
4 GLN H 19 TYR HB3 3.5 #peak 1989
4 GLN H 20 GLY HA2 3.5 #peak 1997
4 GLN H 20 GLY HA2 3.5 #peak 1998
4 GLN H 21 TYR H 3.5 #peak 2001
4 GLN H 21 TYR HB3 3.5 #peak 2007
4 GLN H 21 TYR HB3 3.5 #peak 2008
4 GLN H 22 CYSS HA 3.5 #peak 2015
4 GLN H 22 CYSS HA 3.5 #peak 2016
4 GLN H 22 CYSS HB2 3.5 #peak 2019
4 GLN H 23 GLY HA3 3.5 #peak 2026
4 GLN H 28 TYR HB2 3.5 #peak 2039
4 GLN H 28 TYR HB2 3.5 #peak 2040
4 GLN H 28 TYR QE 3.5 #peak 2046
4 GLN HA 4 GLN HE22 3.5 #peak 2057
4 GLN HA 4 GLN HE22 3.5 #peak 2058
4 GLN HA 6 TYR QE 3.5 #peak 2076
4 GLN HA 7 ARG HB3 3.5 #peak 2083
4 GLN HA 7 ARG HG2 3.5 #peak 2085
4 GLN HA 7 ARG HG2 3.5 #peak 2086
4 GLN HA 7 ARG HG3 3.5 #peak 2087
4 GLN HA 7 ARG HG3 3.5 #peak 2088
4 GLN HA 8 GLY H 3.5 #peak 2091
4 GLN HA 9 ARG H 3.5 #peak 2097
4 GLN HA 9 ARG H 3.5 #peak 2098
4 GLN HA 9 ARG QG 3.5 #peak 2103
4 GLN HA 10 CYSS HB3 3.5 #peak 2116
4 GLN HA 14 LEU H 3.5 #peak 2129
4 GLN HA 14 LEU HG 3.5 #peak 2137
4 GLN HA 14 LEU HG 3.5 #peak 2138
4 GLN HA 17 SER HG 3.5 #peak 2167
4 GLN HA 17 SER HG 3.5 #peak 2168
4 GLN HA 18 LYS H 3.5 #peak 2169
4 GLN HA 18 LYS H 3.5 #peak 2170
4 GLN HA 18 LYS HB2 3.5 #peak 2174
4 GLN HA 18 LYS HB3 3.5 #peak 2175
4 GLN HA 18 LYS HB3 3.5 #peak 2176
4 GLN HA 18 LYS HG2 3.5 #peak 2177
4 GLN HA 18 LYS HG2 3.5 #peak 2178
4 GLN HA 18 LYS HG3 3.5 #peak 2179
4 GLN HA 18 LYS HG3 3.5 #peak 2180
4 GLN HA 19 TYR H 3.5 #peak 2183
4 GLN HA 19 TYR H 3.5 #peak 2184
4 GLN HA 21 TYR QE 3.5 #peak 2212
4 GLN HA 22 CYSS HA 3.5 #peak 2215
4 GLN HA 22 CYSS HA 3.5 #peak 2216
4 GLN HA 24 SER H 3.5 #peak 2227
4 GLN HB2 9 ARG HE 3.5 #peak 2302
4 GLN HB2 10 CYSS HA 3.5 #peak 2306
4 GLN HB2 11 SER HA 3.5 #peak 2314
4 GLN HB2 16 CYSS HA 3.5 #peak 2340
4 GLN HB2 17 SER HA 3.5 #peak 2348
4 GLN HB2 17 SER HG 3.5 #peak 2354
4 GLN HB2 18 LYS H 3.5 #peak 2355
4 GLN HB2 18 LYS H 3.5 #peak 2356
4 GLN HB2 19 TYR H 3.5 #peak 2372
4 GLN HB2 19 TYR HA 3.5 #peak 2374
4 GLN HB2 21 TYR H 3.5 #peak 2389
4 GLN HB2 21 TYR H 3.5 #peak 2390
4 GLN HB2 21 TYR HA 3.5 #peak 2392
4 GLN HB3 7 ARG H 3.5 #peak 2455
4 GLN HB3 7 ARG H 3.5 #peak 2456
4 GLN HB3 9 ARG H 3.5 #peak 2475
4 GLN HB3 9 ARG H 3.5 #peak 2476
4 GLN HB3 10 CYSS HA 3.5 #peak 2490
4 GLN HB3 11 SER H 3.5 #peak 2495
4 GLN HB3 11 SER HA 3.5 #peak 2498
4 GLN HB3 14 LEU H 3.5 #peak 2505
4 GLN HB3 14 LEU H 3.5 #peak 2506
4 GLN HB3 14 LEU HA 3.5 #peak 2507
4 GLN HB3 15 CYSS H 3.5 #peak 2519
4 GLN HB3 15 CYSS H 3.5 #peak 2520
4 GLN HB3 16 CYSS HA 3.5 #peak 2530
4 GLN HB3 17 SER H 3.5 #peak 2535
4 GLN HB3 17 SER H 3.5 #peak 2536
4 GLN HB3 17 SER HA 3.5 #peak 2538
4 GLN HB3 17 SER HB2 3.5 #peak 2541
4 GLN HB3 17 SER HG 3.5 #peak 2543
4 GLN HB3 17 SER HG 3.5 #peak 2544
4 GLN HB3 18 LYS H 3.5 #peak 2545
4 GLN HB3 18 LYS H 3.5 #peak 2546
4 GLN HB3 19 TYR H 3.5 #peak 2560
4 GLN HB3 21 TYR H 3.5 #peak 2577
4 GLN HB3 21 TYR H 3.5 #peak 2578
4 GLN HB3 22 CYSS HA 3.5 #peak 2591
4 GLN HB3 22 CYSS HA 3.5 #peak 2592
4 GLN HB3 23 GLY H 3.5 #peak 2598
4 GLN HB3 28 TYR HA 3.5 #peak 2607
4 GLN HG2 6 TYR H 3.5 #peak 2631
4 GLN HG2 8 GLY H 3.5 #peak 2655
4 GLN HG2 22 CYSS H 3.5 #peak 2765
4 GLN HG3 5 CYSS HA 3.5 #peak 2797
4 GLN HG3 6 TYR H 3.5 #peak 2803
4 GLN HG3 6 TYR H 3.5 #peak 2804
4 GLN HG3 7 ARG H 3.5 #peak 2813
4 GLN HG3 7 ARG H 3.5 #peak 2814
4 GLN HG3 7 ARG HG3 3.5 #peak 2824
4 GLN HG3 8 GLY HA3 3.5 #peak 2831
4 GLN HG3 9 ARG H 3.5 #peak 2833
4 GLN HG3 9 ARG H 3.5 #peak 2834
4 GLN HG3 10 CYSS H 3.5 #peak 2845
4 GLN HG3 10 CYSS H 3.5 #peak 2846
4 GLN HG3 10 CYSS HA 3.5 #peak 2848
4 GLN HG3 10 CYSS HB3 3.5 #peak 2851
4 GLN HG3 11 SER H 3.5 #peak 2853
4 GLN HG3 11 SER H 3.5 #peak 2854
4 GLN HG3 11 SER HA 3.5 #peak 2856
4 GLN HG3 15 CYSS H 3.5 #peak 2869
4 GLN HG3 15 CYSS H 3.5 #peak 2870
4 GLN HG3 16 CYSS H 3.5 #peak 2877
4 GLN HG3 16 CYSS H 3.5 #peak 2878
4 GLN HG3 16 CYSS HA 3.5 #peak 2880
4 GLN HG3 17 SER H 3.5 #peak 2885
4 GLN HG3 17 SER H 3.5 #peak 2886
4 GLN HG3 17 SER HA 3.5 #peak 2888
4 GLN HG3 17 SER HB3 3.5 #peak 2889
4 GLN HG3 17 SER HB2 3.5 #peak 2891
4 GLN HG3 17 SER HB2 3.5 #peak 2892
4 GLN HG3 17 SER HG 3.5 #peak 2893
4 GLN HG3 17 SER HG 3.5 #peak 2894
4 GLN HG3 18 LYS H 3.5 #peak 2895
4 GLN HG3 18 LYS H 3.5 #peak 2896
4 GLN HG3 18 LYS HA 3.5 #peak 2897
4 GLN HG3 19 TYR H 3.5 #peak 2909
4 GLN HG3 19 TYR H 3.5 #peak 2910
4 GLN HG3 19 TYR HA 3.5 #peak 2912
4 GLN HG3 21 TYR H 3.5 #peak 2928
4 GLN HG3 21 TYR HA 3.5 #peak 2930
4 GLN HG3 22 CYSS HA 3.5 #peak 2941
4 GLN HG3 22 CYSS HA 3.5 #peak 2942
4 GLN HG3 23 GLY H 3.5 #peak 2947
4 GLN HG3 23 GLY H 3.5 #peak 2948
4 GLN HG3 28 TYR HA 3.5 #peak 2955
4 GLN HE22 5 CYSS HA 3.5 #peak 3139
4 GLN HE22 5 CYSS HA 3.5 #peak 3140
4 GLN HE22 7 ARG H 3.5 #peak 3155
4 GLN HE22 7 ARG H 3.5 #peak 3156
4 GLN HE22 7 ARG HA 3.5 #peak 3157
4 GLN HE22 7 ARG HA 3.5 #peak 3158
4 GLN HE22 7 ARG HG2 3.5 #peak 3163
4 GLN HE22 7 ARG HG2 3.5 #peak 3164
4 GLN HE22 7 ARG HG3 3.5 #peak 3165
4 GLN HE22 8 GLY HA2 3.5 #peak 3171
4 GLN HE22 8 GLY HA3 3.5 #peak 3173
4 GLN HE22 8 GLY HA3 3.5 #peak 3174
4 GLN HE22 9 ARG H 3.5 #peak 3175
4 GLN HE22 9 ARG H 3.5 #peak 3176
4 GLN HE22 9 ARG QB 3.5 #peak 3179
4 GLN HE22 9 ARG QG 3.5 #peak 3181
4 GLN HE22 9 ARG QD 3.5 #peak 3183
4 GLN HE22 9 ARG QD 3.5 #peak 3184
4 GLN HE22 10 CYSS H 3.5 #peak 3188
4 GLN HE22 10 CYSS HA 3.5 #peak 3190
4 GLN HE22 10 CYSS HB2 3.5 #peak 3191
4 GLN HE22 10 CYSS HB2 3.5 #peak 3192
4 GLN HE22 10 CYSS HB3 3.5 #peak 3194
4 GLN HE22 11 SER H 3.5 #peak 3196
4 GLN HE22 11 SER QB 3.5 #peak 3198
4 GLN HE22 14 LEU HG 3.5 #peak 3203
4 GLN HE22 15 CYSS H 3.5 #peak 3209
4 GLN HE22 15 CYSS H 3.5 #peak 3210
4 GLN HE22 15 CYSS HA 3.5 #peak 3211
4 GLN HE22 15 CYSS HA 3.5 #peak 3212
4 GLN HE22 15 CYSS HB2 3.5 #peak 3214
4 GLN HE22 15 CYSS HB3 3.5 #peak 3215
4 GLN HE22 15 CYSS HB3 3.5 #peak 3216
4 GLN HE22 16 CYSS H 3.5 #peak 3218
4 GLN HE22 16 CYSS HA 3.5 #peak 3220
4 GLN HE22 17 SER H 3.5 #peak 3225
4 GLN HE22 17 SER H 3.5 #peak 3226
4 GLN HE22 17 SER HA 3.5 #peak 3228
4 GLN HE22 17 SER HB3 3.5 #peak 3229
4 GLN HE22 17 SER HB3 3.5 #peak 3230
4 GLN HE22 17 SER HB2 3.5 #peak 3231
4 GLN HE22 17 SER HB2 3.5 #peak 3232
4 GLN HE22 18 LYS H 3.5 #peak 3236
4 GLN HE22 18 LYS HA 3.5 #peak 3237
4 GLN HE22 18 LYS HA 3.5 #peak 3238
4 GLN HE22 18 LYS HB2 3.5 #peak 3240
4 GLN HE22 18 LYS HB3 3.5 #peak 3242
4 GLN HE22 18 LYS HG2 3.5 #peak 3243
4 GLN HE22 18 LYS HG2 3.5 #peak 3244
4 GLN HE22 18 LYS HG3 3.5 #peak 3245
4 GLN HE22 19 TYR HB2 3.5 #peak 3255
4 GLN HE22 20 GLY HA2 3.5 #peak 3265
4 GLN HE22 20 GLY HA3 3.5 #peak 3268
4 GLN HE22 21 TYR HA 3.5 #peak 3272
4 GLN HE22 21 TYR HB3 3.5 #peak 3276
4 GLN HE22 22 CYSS HA 3.5 #peak 3283
4 GLN HE22 22 CYSS HA 3.5 #peak 3284
4 GLN HE22 22 CYSS HB2 3.5 #peak 3287
4 GLN HE22 23 GLY H 3.5 #peak 3290
4 GLN HE22 23 GLY HA3 3.5 #peak 3293
4 GLN HE22 23 GLY HA3 3.5 #peak 3294
4 GLN HE22 28 TYR HA 3.5 #peak 3299
4 GLN HE22 28 TYR HA 3.5 #peak 3300
4 GLN HE22 28 TYR HB2 3.5 #peak 3301
4 GLN HE22 28 TYR HB2 3.5 #peak 3302
4 GLN HE22 29 CYSS HA 3.5 #peak 3310
5 CYSS H 7 ARG HG2 3.5 #peak 3335
5 CYSS H 7 ARG HG2 3.5 #peak 3336
5 CYSS H 7 ARG HG3 3.5 #peak 3337
5 CYSS H 7 ARG HG3 3.5 #peak 3338
5 CYSS H 17 SER H 3.5 #peak 3411
5 CYSS H 17 SER HB2 3.5 #peak 3418
5 CYSS H 18 LYS HB3 3.5 #peak 3428
5 CYSS H 18 LYS HG2 3.5 #peak 3429
5 CYSS H 18 LYS HG2 3.5 #peak 3430
5 CYSS H 18 LYS HG3 3.5 #peak 3431
5 CYSS HA 7 ARG H 3.5 #peak 3511
5 CYSS HA 7 ARG H 3.5 #peak 3512
5 CYSS HA 7 ARG HB3 3.5 #peak 3517
5 CYSS HA 7 ARG HG2 3.5 #peak 3519
5 CYSS HA 7 ARG HG2 3.5 #peak 3520
5 CYSS HA 7 ARG HG3 3.5 #peak 3521
5 CYSS HA 7 ARG HG3 3.5 #peak 3522
5 CYSS HA 9 ARG QG 3.5 #peak 3537
5 CYSS HA 10 CYSS HB2 3.5 #peak 3548
5 CYSS HA 10 CYSS HB3 3.5 #peak 3550
5 CYSS HA 14 LEU H 3.5 #peak 3568
5 CYSS HA 14 LEU HB3 3.5 #peak 3571
5 CYSS HA 14 LEU HG 3.5 #peak 3575
5 CYSS HA 14 LEU HG 3.5 #peak 3576
5 CYSS HA 18 LYS HB2 3.5 #peak 3612
5 CYSS HA 18 LYS HB3 3.5 #peak 3613
5 CYSS HA 18 LYS HB3 3.5 #peak 3614
5 CYSS HA 18 LYS HG2 3.5 #peak 3615
5 CYSS HA 18 LYS HG2 3.5 #peak 3616
5 CYSS HA 18 LYS HG3 3.5 #peak 3617
5 CYSS HA 22 CYSS HA 3.5 #peak 3653
5 CYSS HA 22 CYSS HA 3.5 #peak 3654
5 CYSS HA 29 CYSS H 3.5 #peak 3687
5 CYSS HA 29 CYSS H 3.5 #peak 3688
5 CYSS HB2 18 LYS H 3.5 #peak 3801
5 CYSS HB2 18 LYS H 3.5 #peak 3802
5 CYSS HB3 7 ARG H 3.5 #peak 3881
5 CYSS HB3 7 ARG HB3 3.5 #peak 3887
5 CYSS HB3 7 ARG HG3 3.5 #peak 3891
5 CYSS HB3 14 LEU HB3 3.5 #peak 3941
5 CYSS HB3 15 CYSS H 3.5 #peak 3951
5 CYSS HB3 17 SER H 3.5 #peak 3967
5 CYSS HB3 17 SER H 3.5 #peak 3968
5 CYSS HB3 17 SER HG 3.5 #peak 3975
5 CYSS HB3 17 SER HG 3.5 #peak 3976
5 CYSS HB3 18 LYS H 3.5 #peak 3977
5 CYSS HB3 18 LYS H 3.5 #peak 3978
5 CYSS HB3 18 LYS HG3 3.5 #peak 3987
5 CYSS HB3 19 TYR H 3.5 #peak 3993
5 CYSS HB3 19 TYR H 3.5 #peak 3994
5 CYSS HB3 21 TYR H 3.5 #peak 4009
5 CYSS HB3 21 TYR H 3.5 #peak 4010
5 CYSS HB3 22 CYSS HA 3.5 #peak 4023
5 CYSS HB3 22 CYSS HA 3.5 #peak 4024
5 CYSS HB3 23 GLY H 3.5 #peak 4029
5 CYSS HB3 24 SER HA 3.5 #peak 4038
5 CYSS HB3 29 CYSS H 3.5 #peak 4054
6 TYR H 7 ARG HB3 3.5 #peak 4071
6 TYR H 7 ARG HB3 3.5 #peak 4072
6 TYR H 7 ARG HG2 3.5 #peak 4073
6 TYR H 7 ARG HG2 3.5 #peak 4074
6 TYR H 7 ARG HG3 3.5 #peak 4075
6 TYR H 12 GLY QA 3.5 #peak 4114
6 TYR H 14 LEU HA 3.5 #peak 4123
6 TYR H 14 LEU HA 3.5 #peak 4124
6 TYR H 14 LEU HB3 3.5 #peak 4125
6 TYR H 14 LEU HB3 3.5 #peak 4126
6 TYR H 17 SER HG 3.5 #peak 4160
6 TYR H 18 LYS HG2 3.5 #peak 4169
6 TYR H 18 LYS HG2 3.5 #peak 4170
6 TYR H 18 LYS HG3 3.5 #peak 4171
6 TYR H 18 LYS HG3 3.5 #peak 4172
6 TYR H 18 LYS QD 3.5 #peak 4174
6 TYR H 19 TYR H 3.5 #peak 4175
6 TYR H 19 TYR H 3.5 #peak 4176
6 TYR H 19 TYR HB3 3.5 #peak 4181
6 TYR H 20 GLY HA3 3.5 #peak 4189
6 TYR QD 15 CYSS HB3 3.5 #peak 4693
6 TYR QD 18 LYS HG3 3.5 #peak 4723
6 TYR QD 22 CYSS HA 3.5 #peak 4761
6 TYR QE 15 CYSS HA 3.5 #peak 4883
7 ARG H 8 GLY HA3 3.5 #peak 5027
7 ARG H 8 GLY HA3 3.5 #peak 5028
7 ARG H 9 ARG QB 3.5 #peak 5033
7 ARG H 9 ARG QB 3.5 #peak 5034
7 ARG H 9 ARG QD 3.5 #peak 5037
7 ARG H 9 ARG QD 3.5 #peak 5038
7 ARG H 10 CYSS HA 3.5 #peak 5044
7 ARG H 10 CYSS HB2 3.5 #peak 5045
7 ARG H 10 CYSS HB2 3.5 #peak 5046
7 ARG H 10 CYSS HB3 3.5 #peak 5048
7 ARG H 11 SER QB 3.5 #peak 5053
7 ARG H 11 SER QB 3.5 #peak 5054
7 ARG H 12 GLY QA 3.5 #peak 5058
7 ARG H 13 GLY HA3 3.5 #peak 5063
7 ARG H 13 GLY HA3 3.5 #peak 5064
7 ARG H 14 LEU H 3.5 #peak 5065
7 ARG H 14 LEU H 3.5 #peak 5066
7 ARG H 14 LEU HG 3.5 #peak 5073
7 ARG H 14 LEU HG 3.5 #peak 5074
7 ARG H 15 CYSS HB3 3.5 #peak 5085
7 ARG H 15 CYSS HB3 3.5 #peak 5086
7 ARG H 17 SER H 3.5 #peak 5095
7 ARG H 17 SER H 3.5 #peak 5096
7 ARG H 17 SER HA 3.5 #peak 5098
7 ARG H 17 SER HB3 3.5 #peak 5099
7 ARG H 17 SER HB3 3.5 #peak 5100
7 ARG H 17 SER HG 3.5 #peak 5103
7 ARG H 17 SER HG 3.5 #peak 5104
7 ARG H 18 LYS HA 3.5 #peak 5107
7 ARG H 18 LYS HA 3.5 #peak 5108
7 ARG H 18 LYS HB3 3.5 #peak 5111
7 ARG H 18 LYS HB3 3.5 #peak 5112
7 ARG H 18 LYS HG2 3.5 #peak 5113
7 ARG H 18 LYS HG2 3.5 #peak 5114
7 ARG H 19 TYR H 3.5 #peak 5119
7 ARG H 19 TYR H 3.5 #peak 5120
7 ARG H 19 TYR HB2 3.5 #peak 5123
7 ARG H 19 TYR HB2 3.5 #peak 5124
7 ARG H 19 TYR HB3 3.5 #peak 5125
7 ARG H 19 TYR HB3 3.5 #peak 5126
7 ARG H 20 GLY H 3.5 #peak 5129
7 ARG H 20 GLY H 3.5 #peak 5130
7 ARG H 20 GLY HA2 3.5 #peak 5131
7 ARG H 20 GLY HA2 3.5 #peak 5132
7 ARG H 20 GLY HA3 3.5 #peak 5134
7 ARG H 21 TYR H 3.5 #peak 5135
7 ARG H 21 TYR H 3.5 #peak 5136
7 ARG H 21 TYR HA 3.5 #peak 5138
7 ARG H 21 TYR HB3 3.5 #peak 5141
7 ARG H 21 TYR HB3 3.5 #peak 5142
7 ARG H 21 TYR QD 3.5 #peak 5144
7 ARG H 22 CYSS HA 3.5 #peak 5149
7 ARG H 22 CYSS HA 3.5 #peak 5150
7 ARG H 22 CYSS HB2 3.5 #peak 5153
7 ARG H 22 CYSS HB2 3.5 #peak 5154
7 ARG H 23 GLY HA2 3.5 #peak 5157
7 ARG H 23 GLY HA2 3.5 #peak 5158
7 ARG H 23 GLY HA3 3.5 #peak 5159
7 ARG H 23 GLY HA3 3.5 #peak 5160
7 ARG H 28 TYR HA 3.5 #peak 5161
7 ARG H 28 TYR HA 3.5 #peak 5162
7 ARG H 29 CYSS HA 3.5 #peak 5170
7 ARG HA 10 CYSS HA 3.5 #peak 5202
7 ARG HA 17 SER HA 3.5 #peak 5256
7 ARG HA 17 SER HG 3.5 #peak 5261
7 ARG HA 17 SER HG 3.5 #peak 5262
7 ARG HA 18 LYS H 3.5 #peak 5263
7 ARG HA 18 LYS H 3.5 #peak 5264
7 ARG HA 18 LYS HG2 3.5 #peak 5272
7 ARG HA 21 TYR H 3.5 #peak 5298
7 ARG HA 22 CYSS HA 3.5 #peak 5311
7 ARG HA 22 CYSS HA 3.5 #peak 5312
7 ARG HA 28 TYR QE 3.5 #peak 5328
7 ARG HB3 11 SER HA 3.5 #peak 5520
7 ARG HB3 15 CYSS HA 3.5 #peak 5550
7 ARG HB3 16 CYSS HA 3.5 #peak 5558
7 ARG HB3 17 SER HA 3.5 #peak 5566
7 ARG HB3 17 SER HB3 3.5 #peak 5568
7 ARG HB3 17 SER HG 3.5 #peak 5571
7 ARG HB3 17 SER HG 3.5 #peak 5572
7 ARG HB3 18 LYS H 3.5 #peak 5573
7 ARG HB3 18 LYS H 3.5 #peak 5574
7 ARG HB3 19 TYR H 3.5 #peak 5589
7 ARG HB3 19 TYR H 3.5 #peak 5590
7 ARG HB3 19 TYR HA 3.5 #peak 5592
7 ARG HB3 20 GLY H 3.5 #peak 5599
7 ARG HB3 20 GLY H 3.5 #peak 5600
7 ARG HB3 21 TYR H 3.5 #peak 5605
7 ARG HB3 21 TYR H 3.5 #peak 5606
7 ARG HB3 21 TYR HA 3.5 #peak 5608
7 ARG HB3 22 CYSS H 3.5 #peak 5617
7 ARG HB3 22 CYSS H 3.5 #peak 5618
7 ARG HG2 8 GLY H 3.5 #peak 5639
7 ARG HG2 8 GLY H 3.5 #peak 5640
7 ARG HG2 8 GLY HA2 3.5 #peak 5641
7 ARG HG2 9 ARG H 3.5 #peak 5646
7 ARG HG2 9 ARG QB 3.5 #peak 5649
7 ARG HG2 10 CYSS H 3.5 #peak 5657
7 ARG HG2 10 CYSS H 3.5 #peak 5658
7 ARG HG2 10 CYSS HA 3.5 #peak 5660
7 ARG HG2 10 CYSS HB3 3.5 #peak 5664
7 ARG HG2 11 SER H 3.5 #peak 5665
7 ARG HG2 11 SER H 3.5 #peak 5666
7 ARG HG2 11 SER HA 3.5 #peak 5668
7 ARG HG2 12 GLY H 3.5 #peak 5671
7 ARG HG2 12 GLY H 3.5 #peak 5672
7 ARG HG2 13 GLY H 3.5 #peak 5675
7 ARG HG2 13 GLY H 3.5 #peak 5676
7 ARG HG2 13 GLY HA2 3.5 #peak 5677
7 ARG HG2 15 CYSS HA 3.5 #peak 5693
7 ARG HG2 15 CYSS HA 3.5 #peak 5694
7 ARG HG2 16 CYSS H 3.5 #peak 5698
7 ARG HG2 16 CYSS HA 3.5 #peak 5700
7 ARG HG2 17 SER H 3.5 #peak 5705
7 ARG HG2 17 SER HA 3.5 #peak 5708
7 ARG HG2 17 SER HB3 3.5 #peak 5709
7 ARG HG2 17 SER HB3 3.5 #peak 5710
7 ARG HG2 17 SER HB2 3.5 #peak 5711
7 ARG HG2 17 SER HB2 3.5 #peak 5712
7 ARG HG2 17 SER HG 3.5 #peak 5713
7 ARG HG2 17 SER HG 3.5 #peak 5714
7 ARG HG2 18 LYS H 3.5 #peak 5715
7 ARG HG2 18 LYS H 3.5 #peak 5716
7 ARG HG2 19 TYR H 3.5 #peak 5731
7 ARG HG2 19 TYR H 3.5 #peak 5732
7 ARG HG2 19 TYR HA 3.5 #peak 5734
7 ARG HG2 20 GLY H 3.5 #peak 5743
7 ARG HG2 20 GLY H 3.5 #peak 5744
7 ARG HG2 21 TYR H 3.5 #peak 5749
7 ARG HG2 21 TYR H 3.5 #peak 5750
7 ARG HG2 21 TYR HA 3.5 #peak 5752
7 ARG HG2 22 CYSS H 3.5 #peak 5762
7 ARG HG2 22 CYSS HA 3.5 #peak 5763
7 ARG HG2 22 CYSS HA 3.5 #peak 5764
7 ARG HG2 23 GLY H 3.5 #peak 5769
7 ARG HG2 23 GLY H 3.5 #peak 5770
7 ARG HG3 8 GLY H 3.5 #peak 5774
7 ARG HG3 8 GLY HA3 3.5 #peak 5778
7 ARG HG3 9 ARG H 3.5 #peak 5780
7 ARG HG3 10 CYSS H 3.5 #peak 5791
7 ARG HG3 10 CYSS H 3.5 #peak 5792
7 ARG HG3 10 CYSS HA 3.5 #peak 5794
7 ARG HG3 10 CYSS HB2 3.5 #peak 5796
7 ARG HG3 10 CYSS HB3 3.5 #peak 5798
7 ARG HG3 11 SER H 3.5 #peak 5800
7 ARG HG3 11 SER HA 3.5 #peak 5802
7 ARG HG3 12 GLY H 3.5 #peak 5805
7 ARG HG3 12 GLY H 3.5 #peak 5806
7 ARG HG3 13 GLY H 3.5 #peak 5809
7 ARG HG3 13 GLY H 3.5 #peak 5810
7 ARG HG3 14 LEU HA 3.5 #peak 5817
7 ARG HG3 14 LEU HA 3.5 #peak 5818
7 ARG HG3 15 CYSS HA 3.5 #peak 5831
7 ARG HG3 15 CYSS HA 3.5 #peak 5832
7 ARG HG3 15 CYSS HB2 3.5 #peak 5834
7 ARG HG3 15 CYSS HB3 3.5 #peak 5836
7 ARG HG3 16 CYSS H 3.5 #peak 5837
7 ARG HG3 16 CYSS H 3.5 #peak 5838
7 ARG HG3 16 CYSS HA 3.5 #peak 5840
7 ARG HG3 17 SER H 3.5 #peak 5846
7 ARG HG3 17 SER HA 3.5 #peak 5848
7 ARG HG3 17 SER HB3 3.5 #peak 5849
7 ARG HG3 17 SER HB3 3.5 #peak 5850
7 ARG HG3 17 SER HB2 3.5 #peak 5851
7 ARG HG3 17 SER HB2 3.5 #peak 5852
7 ARG HG3 17 SER HG 3.5 #peak 5853
7 ARG HG3 17 SER HG 3.5 #peak 5854
7 ARG HG3 18 LYS HA 3.5 #peak 5858
7 ARG HG3 19 TYR H 3.5 #peak 5871
7 ARG HG3 19 TYR H 3.5 #peak 5872
7 ARG HG3 19 TYR HA 3.5 #peak 5874
7 ARG HG3 19 TYR HB3 3.5 #peak 5877
7 ARG HG3 20 GLY HA2 3.5 #peak 5885
7 ARG HG3 20 GLY HA3 3.5 #peak 5888
7 ARG HG3 21 TYR H 3.5 #peak 5889
7 ARG HG3 21 TYR H 3.5 #peak 5890
7 ARG HG3 21 TYR HA 3.5 #peak 5892
7 ARG HG3 22 CYSS H 3.5 #peak 5901
7 ARG HG3 22 CYSS H 3.5 #peak 5902
7 ARG HG3 22 CYSS HA 3.5 #peak 5903
7 ARG HG3 22 CYSS HA 3.5 #peak 5904
7 ARG HG3 23 GLY H 3.5 #peak 5909
7 ARG HG3 23 GLY H 3.5 #peak 5910
7 ARG HG3 28 TYR HA 3.5 #peak 5912
7 ARG HG3 29 CYSS HA 3.5 #peak 5918
8 GLY H 10 CYSS HA 3.5 #peak 6076
8 GLY H 10 CYSS HB2 3.5 #peak 6078
8 GLY H 10 CYSS HB3 3.5 #peak 6080
8 GLY H 12 GLY QA 3.5 #peak 6090
8 GLY H 14 LEU HA 3.5 #peak 6099
8 GLY H 14 LEU HA 3.5 #peak 6100
8 GLY H 14 LEU HB2 3.5 #peak 6104
8 GLY H 15 CYSS HA 3.5 #peak 6114
8 GLY H 15 CYSS HB2 3.5 #peak 6115
8 GLY H 15 CYSS HB2 3.5 #peak 6116
8 GLY H 17 SER HA 3.5 #peak 6130
8 GLY H 17 SER HB2 3.5 #peak 6133
8 GLY H 17 SER HB2 3.5 #peak 6134
8 GLY H 17 SER HG 3.5 #peak 6135
8 GLY H 17 SER HG 3.5 #peak 6136
8 GLY H 18 LYS H 3.5 #peak 6138
8 GLY H 18 LYS HB3 3.5 #peak 6143
8 GLY H 18 LYS HB3 3.5 #peak 6144
8 GLY H 18 LYS HG2 3.5 #peak 6145
8 GLY H 18 LYS HG2 3.5 #peak 6146
8 GLY H 18 LYS HG3 3.5 #peak 6147
8 GLY H 18 LYS HG3 3.5 #peak 6148
8 GLY H 18 LYS QD 3.5 #peak 6150
8 GLY H 19 TYR H 3.5 #peak 6153
8 GLY H 19 TYR H 3.5 #peak 6154
8 GLY H 19 TYR HB2 3.5 #peak 6157
8 GLY H 19 TYR HB2 3.5 #peak 6158
8 GLY H 21 TYR HB3 3.5 #peak 6176
8 GLY H 22 CYSS HA 3.5 #peak 6183
8 GLY H 22 CYSS HA 3.5 #peak 6184
8 GLY H 22 CYSS HB2 3.5 #peak 6187
8 GLY H 22 CYSS HB2 3.5 #peak 6188
8 GLY H 28 TYR HA 3.5 #peak 6195
8 GLY H 28 TYR HA 3.5 #peak 6196
8 GLY HA2 17 SER HG 3.5 #peak 6281
8 GLY HA2 17 SER HG 3.5 #peak 6282
8 GLY HA2 18 LYS H 3.5 #peak 6283
8 GLY HA2 18 LYS H 3.5 #peak 6284
8 GLY HA2 18 LYS HG2 3.5 #peak 6292
8 GLY HA2 19 TYR H 3.5 #peak 6299
8 GLY HA2 19 TYR H 3.5 #peak 6300
8 GLY HA2 21 TYR H 3.5 #peak 6315
8 GLY HA2 21 TYR H 3.5 #peak 6316
8 GLY HA2 22 CYSS H 3.5 #peak 6327
8 GLY HA2 22 CYSS HA 3.5 #peak 6329
8 GLY HA2 22 CYSS HA 3.5 #peak 6330
8 GLY HA3 10 CYSS HB2 3.5 #peak 6374
8 GLY HA3 15 CYSS H 3.5 #peak 6407
8 GLY HA3 15 CYSS H 3.5 #peak 6408
8 GLY HA3 15 CYSS HB2 3.5 #peak 6412
8 GLY HA3 16 CYSS H 3.5 #peak 6415
8 GLY HA3 16 CYSS H 3.5 #peak 6416
8 GLY HA3 17 SER HG 3.5 #peak 6431
8 GLY HA3 17 SER HG 3.5 #peak 6432
8 GLY HA3 21 TYR QD 3.5 #peak 6470
8 GLY HA3 22 CYSS HA 3.5 #peak 6475
8 GLY HA3 22 CYSS HA 3.5 #peak 6476
8 GLY HA3 22 CYSS HB2 3.5 #peak 6480
8 GLY HA3 23 GLY H 3.5 #peak 6481
8 GLY HA3 23 GLY H 3.5 #peak 6482
9 ARG H 10 CYSS HA 3.5 #peak 6512
9 ARG H 10 CYSS HB2 3.5 #peak 6513
9 ARG H 10 CYSS HB2 3.5 #peak 6514
9 ARG H 10 CYSS HB3 3.5 #peak 6515
9 ARG H 10 CYSS HB3 3.5 #peak 6516
9 ARG H 11 SER QB 3.5 #peak 6522
9 ARG H 14 LEU HA 3.5 #peak 6535
9 ARG H 14 LEU HA 3.5 #peak 6536
9 ARG H 15 CYSS H 3.5 #peak 6548
9 ARG H 15 CYSS HA 3.5 #peak 6549
9 ARG H 15 CYSS HA 3.5 #peak 6550
9 ARG H 15 CYSS HB2 3.5 #peak 6551
9 ARG H 17 SER H 3.5 #peak 6563
9 ARG H 17 SER HA 3.5 #peak 6566
9 ARG H 17 SER HB2 3.5 #peak 6569
9 ARG H 17 SER HB2 3.5 #peak 6570
9 ARG H 17 SER HG 3.5 #peak 6571
9 ARG H 17 SER HG 3.5 #peak 6572
9 ARG H 18 LYS HG2 3.5 #peak 6577
9 ARG H 18 LYS HG3 3.5 #peak 6579
9 ARG H 20 GLY HA2 3.5 #peak 6591
9 ARG H 20 GLY HA2 3.5 #peak 6592
9 ARG H 22 CYSS HA 3.5 #peak 6609
9 ARG H 22 CYSS HB2 3.5 #peak 6613
9 ARG H 22 CYSS HB2 3.5 #peak 6614
9 ARG H 23 GLY HA3 3.5 #peak 6619
9 ARG H 23 GLY HA3 3.5 #peak 6620
9 ARG H 28 TYR HA 3.5 #peak 6623
9 ARG H 28 TYR HA 3.5 #peak 6624
9 ARG H 29 CYSS HA 3.5 #peak 6632
9 ARG HA 18 LYS HB2 3.5 #peak 6709
9 ARG QB 10 CYSS HA 3.5 #peak 6792
9 ARG QB 11 SER HA 3.5 #peak 6800
9 ARG QB 13 GLY HA3 3.5 #peak 6812
9 ARG QB 14 LEU H 3.5 #peak 6813
9 ARG QB 14 LEU H 3.5 #peak 6814
9 ARG QB 15 CYSS H 3.5 #peak 6827
9 ARG QB 15 CYSS H 3.5 #peak 6828
9 ARG QB 16 CYSS HA 3.5 #peak 6838
9 ARG QB 17 SER H 3.5 #peak 6844
9 ARG QB 17 SER HA 3.5 #peak 6846
9 ARG QB 17 SER HB3 3.5 #peak 6847
9 ARG QB 17 SER HG 3.5 #peak 6852
9 ARG QB 18 LYS H 3.5 #peak 6853
9 ARG QB 18 LYS H 3.5 #peak 6854
9 ARG QB 18 LYS HG2 3.5 #peak 6862
9 ARG QB 19 TYR H 3.5 #peak 6870
9 ARG QB 19 TYR HA 3.5 #peak 6872
9 ARG QB 21 TYR H 3.5 #peak 6885
9 ARG QB 21 TYR H 3.5 #peak 6886
9 ARG QB 21 TYR HA 3.5 #peak 6888
9 ARG QB 22 CYSS HA 3.5 #peak 6900
9 ARG QB 24 SER HA 3.5 #peak 6914
9 ARG QB 28 TYR HA 3.5 #peak 6931
9 ARG QB 28 TYR HA 3.5 #peak 6932
9 ARG QB 29 CYSS H 3.5 #peak 6941
9 ARG QB 29 CYSS H 3.5 #peak 6942
9 ARG QG 10 CYSS HA 3.5 #peak 6962
9 ARG QG 11 SER HA 3.5 #peak 6970
9 ARG QG 15 CYSS HA 3.5 #peak 7000
9 ARG QG 17 SER HA 3.5 #peak 7016
9 ARG QG 17 SER HB3 3.5 #peak 7018
9 ARG QG 17 SER HG 3.5 #peak 7022
9 ARG QG 18 LYS H 3.5 #peak 7024
9 ARG QG 19 TYR H 3.5 #peak 7040
9 ARG QG 19 TYR HA 3.5 #peak 7042
9 ARG QG 21 TYR HA 3.5 #peak 7060
9 ARG QG 22 CYSS HA 3.5 #peak 7072
9 ARG QG 24 SER HA 3.5 #peak 7086
9 ARG QG 25 GLY HA3 3.5 #peak 7094
9 ARG QG 29 CYSS H 3.5 #peak 7110
9 ARG QD 14 LEU H 3.5 #peak 7149
9 ARG QD 14 LEU HA 3.5 #peak 7151
9 ARG QD 15 CYSS H 3.5 #peak 7163
9 ARG QD 15 CYSS H 3.5 #peak 7164
9 ARG QD 17 SER HB2 3.5 #peak 7185
9 ARG QD 17 SER HB2 3.5 #peak 7186
9 ARG QD 18 LYS H 3.5 #peak 7190
9 ARG QD 22 CYSS HA 3.5 #peak 7238
9 ARG QD 25 GLY H 3.5 #peak 7257
9 ARG QD 25 GLY H 3.5 #peak 7258
9 ARG QD 29 CYSS H 3.5 #peak 7278
9 ARG HE 22 CYSS HA 3.5 #peak 7403
10 CYSS H 14 LEU HA 3.5 #peak 7475
10 CYSS H 14 LEU HA 3.5 #peak 7476
10 CYSS H 17 SER H 3.5 #peak 7504
10 CYSS H 17 SER HB3 3.5 #peak 7507
10 CYSS H 17 SER HB2 3.5 #peak 7509
10 CYSS H 17 SER HB2 3.5 #peak 7510
10 CYSS H 17 SER HG 3.5 #peak 7511
10 CYSS H 17 SER HG 3.5 #peak 7512
10 CYSS H 18 LYS HG3 3.5 #peak 7517
10 CYSS H 18 LYS HG3 3.5 #peak 7518
10 CYSS H 19 TYR H 3.5 #peak 7519
10 CYSS H 19 TYR H 3.5 #peak 7520
10 CYSS H 20 GLY HA3 3.5 #peak 7526
10 CYSS H 21 TYR H 3.5 #peak 7527
10 CYSS H 25 GLY HA2 3.5 #peak 7562
10 CYSS H 29 CYSS HB3 3.5 #peak 7584
10 CYSS HA 14 LEU HG 3.5 #peak 7613
10 CYSS HA 15 CYSS H 3.5 #peak 7619
10 CYSS HA 17 SER H 3.5 #peak 7635
10 CYSS HA 17 SER HG 3.5 #peak 7641
10 CYSS HA 20 GLY HA2 3.5 #peak 7645
10 CYSS HA 21 TYR HB3 3.5 #peak 7655
10 CYSS HA 23 GLY HA3 3.5 #peak 7673
10 CYSS HB2 17 SER H 3.5 #peak 7745
10 CYSS HB2 17 SER H 3.5 #peak 7746
10 CYSS HB2 17 SER HB3 3.5 #peak 7749
10 CYSS HB2 17 SER HB2 3.5 #peak 7751
10 CYSS HB2 17 SER HG 3.5 #peak 7753
10 CYSS HB2 17 SER HG 3.5 #peak 7754
10 CYSS HB2 18 LYS H 3.5 #peak 7755
10 CYSS HB2 18 LYS H 3.5 #peak 7756
10 CYSS HB2 18 LYS HA 3.5 #peak 7757
10 CYSS HB2 21 TYR H 3.5 #peak 7767
10 CYSS HB2 21 TYR H 3.5 #peak 7768
10 CYSS HB2 25 GLY H 3.5 #peak 7801
10 CYSS HB2 28 TYR H 3.5 #peak 7807
10 CYSS HB2 28 TYR HA 3.5 #peak 7809
10 CYSS HB2 29 CYSS H 3.5 #peak 7819
10 CYSS HB2 30 GLY H 3.5 #peak 7828
10 CYSS HB3 11 SER HA 3.5 #peak 7832
10 CYSS HB3 15 CYSS HA 3.5 #peak 7861
10 CYSS HB3 16 CYSS H 3.5 #peak 7867
10 CYSS HB3 17 SER H 3.5 #peak 7875
10 CYSS HB3 17 SER H 3.5 #peak 7876
10 CYSS HB3 17 SER HB3 3.5 #peak 7879
10 CYSS HB3 17 SER HB2 3.5 #peak 7881
10 CYSS HB3 17 SER HG 3.5 #peak 7883
10 CYSS HB3 17 SER HG 3.5 #peak 7884
10 CYSS HB3 21 TYR H 3.5 #peak 7892
10 CYSS HB3 21 TYR HA 3.5 #peak 7894
10 CYSS HB3 24 SER HA 3.5 #peak 7918
10 CYSS HB3 25 GLY H 3.5 #peak 7923
10 CYSS HB3 28 TYR HA 3.5 #peak 7931
10 CYSS HB3 29 CYSS H 3.5 #peak 7941
10 CYSS HB3 29 CYSS H 3.5 #peak 7942
11 SER H 14 LEU HA 3.5 #peak 7965
11 SER H 17 SER H 3.5 #peak 7994
11 SER H 17 SER HB2 3.5 #peak 7997
11 SER H 17 SER HB2 3.5 #peak 7998
11 SER H 21 TYR H 3.5 #peak 8003
11 SER H 25 GLY HA2 3.5 #peak 8038
11 SER H 29 CYSS HB3 3.5 #peak 8056
11 SER HA 14 LEU HB3 3.5 #peak 8073
11 SER HA 14 LEU HG 3.5 #peak 8077
11 SER HA 23 GLY HA2 3.5 #peak 8121
11 SER QB 14 LEU QD2 3.5 #peak 8182
11 SER QB 15 CYSS H 3.5 #peak 8183
11 SER QB 16 CYSS H 3.5 #peak 8192
11 SER QB 17 SER H 3.5 #peak 8199
11 SER QB 21 TYR H 3.5 #peak 8210
11 SER QB 22 CYSS HA 3.5 #peak 8223
11 SER QB 23 GLY H 3.5 #peak 8229
11 SER QB 29 CYSS H 3.5 #peak 8257
12 GLY H 14 LEU HA 3.5 #peak 8275
12 GLY H 14 LEU HA 3.5 #peak 8276
12 GLY H 15 CYSS HB2 3.5 #peak 8292
12 GLY H 17 SER H 3.5 #peak 8304
12 GLY H 25 GLY HA2 3.5 #peak 8332
12 GLY H 29 CYSS HB3 3.5 #peak 8346
12 GLY QA 14 LEU QD2 3.5 #peak 8366
12 GLY QA 22 CYSS HA 3.5 #peak 8387
12 GLY QA 22 CYSS HA 3.5 #peak 8388
12 GLY QA 23 GLY H 3.5 #peak 8393
13 GLY H 14 LEU HA 3.5 #peak 8439
13 GLY H 14 LEU HA 3.5 #peak 8440
13 GLY H 15 CYSS HB2 3.5 #peak 8456
13 GLY H 17 SER H 3.5 #peak 8468
13 GLY H 25 GLY HA2 3.5 #peak 8494
13 GLY H 29 CYSS HB3 3.5 #peak 8514
13 GLY HA2 22 CYSS HA 3.5 #peak 8547
13 GLY HA2 22 CYSS HA 3.5 #peak 8548
13 GLY HA3 15 CYSS H 3.5 #peak 8605
13 GLY HA3 15 CYSS H 3.5 #peak 8606
13 GLY HA3 16 CYSS H 3.5 #peak 8614
13 GLY HA3 22 CYSS HA 3.5 #peak 8623
13 GLY HA3 23 GLY H 3.5 #peak 8629
13 GLY HA3 23 GLY H 3.5 #peak 8630
14 LEU H 15 CYSS HA 3.5 #peak 8684
14 LEU H 15 CYSS HB3 3.5 #peak 8687
14 LEU H 16 CYSS H 3.5 #peak 8689
14 LEU H 16 CYSS H 3.5 #peak 8690
14 LEU H 16 CYSS HA 3.5 #peak 8692
14 LEU H 17 SER H 3.5 #peak 8697
14 LEU H 17 SER H 3.5 #peak 8698
14 LEU H 17 SER HA 3.5 #peak 8700
14 LEU H 17 SER HG 3.5 #peak 8701
14 LEU H 22 CYSS HA 3.5 #peak 8709
14 LEU H 23 GLY HA2 3.5 #peak 8717
14 LEU H 23 GLY HA2 3.5 #peak 8718
14 LEU H 23 GLY HA3 3.5 #peak 8719
14 LEU H 23 GLY HA3 3.5 #peak 8720
14 LEU H 25 GLY HA2 3.5 #peak 8732
14 LEU H 28 TYR HA 3.5 #peak 8743
14 LEU H 28 TYR HA 3.5 #peak 8744
14 LEU H 28 TYR HB2 3.5 #peak 8745
14 LEU H 29 CYSS H 3.5 #peak 8753
14 LEU H 29 CYSS HB3 3.5 #peak 8760
14 LEU HA 22 CYSS H 3.5 #peak 8803
14 LEU HA 22 CYSS H 3.5 #peak 8804
14 LEU HA 22 CYSS HA 3.5 #peak 8806
14 LEU HA 25 GLY H 3.5 #peak 8826
14 LEU HB3 17 SER HA 3.5 #peak 8900
14 LEU HB3 17 SER HB3 3.5 #peak 8902
14 LEU HB3 17 SER HG 3.5 #peak 8905
14 LEU HB3 17 SER HG 3.5 #peak 8906
14 LEU HB3 20 GLY H 3.5 #peak 8907
14 LEU HB3 20 GLY H 3.5 #peak 8908
14 LEU HB3 21 TYR H 3.5 #peak 8911
14 LEU HB3 21 TYR H 3.5 #peak 8912
14 LEU HB3 21 TYR HA 3.5 #peak 8914
14 LEU HB3 22 CYSS H 3.5 #peak 8921
14 LEU HB3 24 SER H 3.5 #peak 8935
14 LEU HB3 24 SER H 3.5 #peak 8936
14 LEU HB3 24 SER HA 3.5 #peak 8938
14 LEU HB3 25 GLY H 3.5 #peak 8943
14 LEU HB3 25 GLY HA3 3.5 #peak 8948
14 LEU HB3 29 CYSS HA 3.5 #peak 8972
14 LEU HB2 17 SER H 3.5 #peak 8999
14 LEU HB2 18 LYS H 3.5 #peak 9009
14 LEU HB2 24 SER H 3.5 #peak 9043
14 LEU HB2 25 GLY H 3.5 #peak 9051
14 LEU HB2 30 GLY H 3.5 #peak 9089
14 LEU HG 15 CYSS HA 3.5 #peak 9097
14 LEU HG 15 CYSS HA 3.5 #peak 9098
14 LEU HG 16 CYSS HA 3.5 #peak 9106
14 LEU HG 17 SER H 3.5 #peak 9111
14 LEU HG 17 SER H 3.5 #peak 9112
14 LEU HG 17 SER HA 3.5 #peak 9114
14 LEU HG 17 SER HG 3.5 #peak 9118
14 LEU HG 21 TYR H 3.5 #peak 9119
14 LEU HG 21 TYR H 3.5 #peak 9120
14 LEU HG 21 TYR HA 3.5 #peak 9122
14 LEU HG 22 CYSS HA 3.5 #peak 9131
14 LEU HG 22 CYSS HA 3.5 #peak 9132
14 LEU HG 24 SER HA 3.5 #peak 9146
14 LEU HG 28 TYR HB2 3.5 #peak 9168
14 LEU HG 29 CYSS HA 3.5 #peak 9178
14 LEU QD2 26 PRO HD3 3.5 #peak 9395
14 LEU QD2 30 GLY HA3 3.5 #peak 9427
15 CYSS H 16 CYSS HA 3.5 #peak 9438
15 CYSS H 17 SER H 3.5 #peak 9444
15 CYSS H 17 SER HA 3.5 #peak 9446
15 CYSS H 17 SER HG 3.5 #peak 9451
15 CYSS H 17 SER HG 3.5 #peak 9452
15 CYSS H 18 LYS HA 3.5 #peak 9455
15 CYSS H 18 LYS HA 3.5 #peak 9456
15 CYSS H 19 TYR H 3.5 #peak 9461
15 CYSS H 19 TYR H 3.5 #peak 9462
15 CYSS H 21 TYR H 3.5 #peak 9469
15 CYSS H 21 TYR H 3.5 #peak 9470
15 CYSS H 21 TYR HB3 3.5 #peak 9475
15 CYSS H 21 TYR HB3 3.5 #peak 9476
15 CYSS H 23 GLY HA2 3.5 #peak 9489
15 CYSS H 25 GLY HA2 3.5 #peak 9504
15 CYSS H 26 PRO HB3 3.5 #peak 9509
15 CYSS H 26 PRO HB3 3.5 #peak 9510
15 CYSS H 26 PRO HG2 3.5 #peak 9513
15 CYSS H 26 PRO HG2 3.5 #peak 9514
15 CYSS H 26 PRO HG3 3.5 #peak 9515
15 CYSS H 27 ALA HA 3.5 #peak 9523
15 CYSS H 27 ALA HA 3.5 #peak 9524
15 CYSS H 28 TYR HA 3.5 #peak 9529
15 CYSS H 28 TYR HA 3.5 #peak 9530
15 CYSS H 29 CYSS HB3 3.5 #peak 9545
15 CYSS H 29 CYSS HB3 3.5 #peak 9546
15 CYSS HA 17 SER H 3.5 #peak 9565
15 CYSS HA 17 SER HG 3.5 #peak 9573
15 CYSS HA 17 SER HG 3.5 #peak 9574
15 CYSS HA 18 LYS H 3.5 #peak 9575
15 CYSS HA 18 LYS H 3.5 #peak 9576
15 CYSS HA 18 LYS HB2 3.5 #peak 9580
15 CYSS HA 18 LYS HB3 3.5 #peak 9581
15 CYSS HA 18 LYS HB3 3.5 #peak 9582
15 CYSS HA 18 LYS HG2 3.5 #peak 9583
15 CYSS HA 18 LYS HG2 3.5 #peak 9584
15 CYSS HA 18 LYS HG3 3.5 #peak 9585
15 CYSS HA 18 LYS HG3 3.5 #peak 9586
15 CYSS HA 19 TYR H 3.5 #peak 9591
15 CYSS HA 19 TYR H 3.5 #peak 9592
15 CYSS HA 22 CYSS HA 3.5 #peak 9611
15 CYSS HA 22 CYSS HA 3.5 #peak 9612
15 CYSS HA 24 SER H 3.5 #peak 9623
15 CYSS HA 25 GLY H 3.5 #peak 9631
15 CYSS HA 25 GLY H 3.5 #peak 9632
15 CYSS HA 26 PRO HB3 3.5 #peak 9640
15 CYSS HA 28 TYR HB2 3.5 #peak 9661
15 CYSS HA 29 CYSS H 3.5 #peak 9669
15 CYSS HA 29 CYSS H 3.5 #peak 9670
15 CYSS HA 30 GLY H 3.5 #peak 9677
15 CYSS HB2 17 SER HB3 3.5 #peak 9697
15 CYSS HB2 17 SER HG 3.5 #peak 9701
15 CYSS HB2 17 SER HG 3.5 #peak 9702
15 CYSS HB2 18 LYS H 3.5 #peak 9703
15 CYSS HB2 18 LYS H 3.5 #peak 9704
15 CYSS HB2 18 LYS HG2 3.5 #peak 9711
15 CYSS HB2 18 LYS HG3 3.5 #peak 9713
15 CYSS HB2 19 TYR H 3.5 #peak 9720
15 CYSS HB2 21 TYR H 3.5 #peak 9731
15 CYSS HB2 21 TYR H 3.5 #peak 9732
15 CYSS HB2 22 CYSS H 3.5 #peak 9741
15 CYSS HB2 25 GLY H 3.5 #peak 9763
15 CYSS HB2 25 GLY H 3.5 #peak 9764
15 CYSS HB2 30 GLY H 3.5 #peak 9810
15 CYSS HB3 17 SER HG 3.5 #peak 9831
15 CYSS HB3 17 SER HG 3.5 #peak 9832
15 CYSS HB3 18 LYS HG2 3.5 #peak 9842
15 CYSS HB3 19 TYR H 3.5 #peak 9849
15 CYSS HB3 19 TYR H 3.5 #peak 9850
15 CYSS HB3 21 TYR H 3.5 #peak 9864
15 CYSS HB3 22 CYSS HA 3.5 #peak 9875
15 CYSS HB3 22 CYSS HA 3.5 #peak 9876
16 CYSS H 17 SER HA 3.5 #peak 9956
16 CYSS H 17 SER HG 3.5 #peak 9961
16 CYSS H 18 LYS HA 3.5 #peak 9965
16 CYSS H 18 LYS HA 3.5 #peak 9966
16 CYSS H 18 LYS HB2 3.5 #peak 9968
16 CYSS H 18 LYS HG3 3.5 #peak 9973
16 CYSS H 19 TYR HB3 3.5 #peak 9983
16 CYSS H 19 TYR HB3 3.5 #peak 9984
16 CYSS H 23 GLY HA3 3.5 #peak 10019
16 CYSS H 23 GLY HA3 3.5 #peak 10020
16 CYSS H 24 SER HB2 3.5 #peak 10026
16 CYSS H 25 GLY HA2 3.5 #peak 10032
16 CYSS HA 18 LYS HB3 3.5 #peak 10095
16 CYSS HA 18 LYS HG2 3.5 #peak 10097
16 CYSS HA 18 LYS HG3 3.5 #peak 10099
16 CYSS HA 23 GLY HA2 3.5 #peak 10145
16 CYSS HA 25 GLY H 3.5 #peak 10157
16 CYSS HA 30 GLY H 3.5 #peak 10193
16 CYSS HB2 18 LYS H 3.5 #peak 10211
16 CYSS HB2 19 TYR H 3.5 #peak 10228
17 SER H 18 LYS HB2 3.5 #peak 10436
17 SER H 18 LYS HB3 3.5 #peak 10437
17 SER H 18 LYS HB3 3.5 #peak 10438
17 SER H 19 TYR H 3.5 #peak 10448
17 SER H 20 GLY HA3 3.5 #peak 10464
17 SER H 24 SER HA 3.5 #peak 10494
17 SER H 24 SER HB2 3.5 #peak 10496
17 SER H 25 GLY H 3.5 #peak 10499
17 SER H 25 GLY HA2 3.5 #peak 10502
17 SER H 25 GLY HA3 3.5 #peak 10504
17 SER H 27 ALA QB 3.5 #peak 10516
17 SER H 28 TYR H 3.5 #peak 10518
17 SER H 29 CYSS H 3.5 #peak 10529
17 SER H 29 CYSS H 3.5 #peak 10530
17 SER H 29 CYSS HA 3.5 #peak 10532
17 SER H 29 CYSS HB3 3.5 #peak 10536
17 SER HA 18 LYS HB2 3.5 #peak 10553
17 SER HA 18 LYS HB3 3.5 #peak 10555
17 SER HA 18 LYS HG2 3.5 #peak 10557
17 SER HA 18 LYS HG3 3.5 #peak 10559
17 SER HA 18 LYS QD 3.5 #peak 10561
17 SER HA 19 TYR HB3 3.5 #peak 10571
17 SER HA 20 GLY HA2 3.5 #peak 10579
17 SER HA 23 GLY HA3 3.5 #peak 10607
17 SER HA 26 PRO HB3 3.5 #peak 10625
17 SER HA 26 PRO HB2 3.5 #peak 10627
17 SER HA 26 PRO HG2 3.5 #peak 10629
17 SER HA 26 PRO HD2 3.5 #peak 10633
17 SER HA 27 ALA H 3.5 #peak 10637
17 SER HA 28 TYR HB2 3.5 #peak 10647
17 SER HB3 18 LYS HB2 3.5 #peak 10678
17 SER HB3 18 LYS HB3 3.5 #peak 10679
17 SER HB3 18 LYS HB3 3.5 #peak 10680
17 SER HB3 18 LYS HG2 3.5 #peak 10681
17 SER HB3 18 LYS HG2 3.5 #peak 10682
17 SER HB3 18 LYS HG3 3.5 #peak 10684
17 SER HB3 22 CYSS HA 3.5 #peak 10721
17 SER HB3 26 PRO HB3 3.5 #peak 10750
17 SER HB3 28 TYR HB2 3.5 #peak 10771
17 SER HB3 29 CYSS H 3.5 #peak 10779
17 SER HB3 29 CYSS H 3.5 #peak 10780
17 SER HB2 18 LYS HB2 3.5 #peak 10799
17 SER HB2 18 LYS HB2 3.5 #peak 10800
17 SER HB2 18 LYS HB3 3.5 #peak 10801
17 SER HB2 18 LYS HB3 3.5 #peak 10802
17 SER HB2 18 LYS HG2 3.5 #peak 10803
17 SER HB2 18 LYS HG2 3.5 #peak 10804
17 SER HB2 18 LYS HG3 3.5 #peak 10805
17 SER HB2 18 LYS HG3 3.5 #peak 10806
17 SER HB2 18 LYS QD 3.5 #peak 10808
17 SER HB2 22 CYSS HA 3.5 #peak 10844
17 SER HB2 25 GLY H 3.5 #peak 10864
17 SER HB2 28 TYR HB2 3.5 #peak 10894
17 SER HG 18 LYS HA 3.5 #peak 10917
17 SER HG 18 LYS HA 3.5 #peak 10918
17 SER HG 18 LYS HB2 3.5 #peak 10919
17 SER HG 18 LYS HB3 3.5 #peak 10921
17 SER HG 18 LYS HB3 3.5 #peak 10922
17 SER HG 18 LYS HG2 3.5 #peak 10923
17 SER HG 18 LYS HG2 3.5 #peak 10924
17 SER HG 18 LYS HG3 3.5 #peak 10925
17 SER HG 18 LYS HG3 3.5 #peak 10926
17 SER HG 18 LYS QD 3.5 #peak 10927
17 SER HG 18 LYS QD 3.5 #peak 10928
17 SER HG 20 GLY HA3 3.5 #peak 10948
17 SER HG 21 TYR HA 3.5 #peak 10952
17 SER HG 21 TYR HB3 3.5 #peak 10956
17 SER HG 22 CYSS H 3.5 #peak 10961
17 SER HG 22 CYSS HA 3.5 #peak 10963
17 SER HG 22 CYSS HA 3.5 #peak 10964
17 SER HG 23 GLY H 3.5 #peak 10969
17 SER HG 23 GLY H 3.5 #peak 10970
17 SER HG 23 GLY HA2 3.5 #peak 10971
17 SER HG 23 GLY HA2 3.5 #peak 10972
17 SER HG 23 GLY HA3 3.5 #peak 10973
17 SER HG 23 GLY HA3 3.5 #peak 10974
17 SER HG 24 SER HA 3.5 #peak 10978
17 SER HG 24 SER HB2 3.5 #peak 10979
17 SER HG 24 SER HB2 3.5 #peak 10980
17 SER HG 24 SER HB3 3.5 #peak 10982
17 SER HG 25 GLY H 3.5 #peak 10983
17 SER HG 25 GLY H 3.5 #peak 10984
17 SER HG 25 GLY HA2 3.5 #peak 10986
17 SER HG 26 PRO HG2 3.5 #peak 10991
17 SER HG 26 PRO HG2 3.5 #peak 10992
17 SER HG 26 PRO HD2 3.5 #peak 10993
17 SER HG 26 PRO HD2 3.5 #peak 10994
17 SER HG 26 PRO HD3 3.5 #peak 10996
17 SER HG 27 ALA H 3.5 #peak 10998
17 SER HG 27 ALA HA 3.5 #peak 10999
17 SER HG 27 ALA HA 3.5 #peak 11000
17 SER HG 28 TYR HA 3.5 #peak 11005
17 SER HG 28 TYR HA 3.5 #peak 11006
17 SER HG 28 TYR HB2 3.5 #peak 11007
17 SER HG 28 TYR HB2 3.5 #peak 11008
17 SER HG 29 CYSS H 3.5 #peak 11016
17 SER HG 29 CYSS HA 3.5 #peak 11018
17 SER HG 29 CYSS HB3 3.5 #peak 11022
17 SER HG 30 GLY H 3.5 #peak 11023
17 SER HG 30 GLY H 3.5 #peak 11024
17 SER HG 30 GLY HA2 3.5 #peak 11026
17 SER HG 30 GLY HA3 3.5 #peak 11028
18 LYS H 19 TYR HB2 3.5 #peak 11047
18 LYS H 19 TYR HB3 3.5 #peak 11049
18 LYS H 19 TYR HB3 3.5 #peak 11050
18 LYS H 20 GLY HA2 3.5 #peak 11057
18 LYS H 20 GLY HA2 3.5 #peak 11058
18 LYS H 20 GLY HA3 3.5 #peak 11059
18 LYS H 20 GLY HA3 3.5 #peak 11060
18 LYS H 21 TYR H 3.5 #peak 11061
18 LYS H 21 TYR H 3.5 #peak 11062
18 LYS H 21 TYR HB3 3.5 #peak 11067
18 LYS H 21 TYR HB3 3.5 #peak 11068
18 LYS H 22 CYSS HA 3.5 #peak 11075
18 LYS H 22 CYSS HA 3.5 #peak 11076
18 LYS H 22 CYSS HB3 3.5 #peak 11078
18 LYS H 22 CYSS HB2 3.5 #peak 11079
18 LYS H 23 GLY HA2 3.5 #peak 11083
18 LYS H 23 GLY HA2 3.5 #peak 11084
18 LYS H 23 GLY HA3 3.5 #peak 11085
18 LYS H 23 GLY HA3 3.5 #peak 11086
18 LYS H 24 SER HA 3.5 #peak 11090
18 LYS H 24 SER HB2 3.5 #peak 11091
18 LYS H 26 PRO HB3 3.5 #peak 11103
18 LYS H 26 PRO HB3 3.5 #peak 11104
18 LYS H 26 PRO HB2 3.5 #peak 11105
18 LYS H 26 PRO HB2 3.5 #peak 11106
18 LYS H 26 PRO HG2 3.5 #peak 11107
18 LYS H 26 PRO HG2 3.5 #peak 11108
18 LYS H 26 PRO HD2 3.5 #peak 11111
18 LYS H 26 PRO HD2 3.5 #peak 11112
18 LYS H 26 PRO HD3 3.5 #peak 11113
18 LYS H 26 PRO HD3 3.5 #peak 11114
18 LYS H 28 TYR HB2 3.5 #peak 11125
18 LYS H 28 TYR HB2 3.5 #peak 11126
18 LYS H 28 TYR HB3 3.5 #peak 11127
18 LYS H 28 TYR HB3 3.5 #peak 11128
18 LYS H 29 CYSS HB2 3.5 #peak 11138
18 LYS H 29 CYSS HB3 3.5 #peak 11139
18 LYS H 29 CYSS HB3 3.5 #peak 11140
18 LYS H 30 GLY H 3.5 #peak 11141
18 LYS H 30 GLY H 3.5 #peak 11142
18 LYS H 30 GLY HA2 3.5 #peak 11143
18 LYS H 30 GLY HA3 3.5 #peak 11145
18 LYS H 30 GLY HA3 3.5 #peak 11146
18 LYS HA 19 TYR HB2 3.5 #peak 11164
18 LYS HA 21 TYR QD 3.5 #peak 11186
18 LYS HA 22 CYSS HA 3.5 #peak 11191
18 LYS HA 22 CYSS HA 3.5 #peak 11192
18 LYS HA 22 CYSS HB2 3.5 #peak 11194
18 LYS HA 23 GLY H 3.5 #peak 11195
18 LYS HA 23 GLY H 3.5 #peak 11196
18 LYS HA 26 PRO HB3 3.5 #peak 11204
18 LYS HA 27 ALA H 3.5 #peak 11205
18 LYS HA 27 ALA H 3.5 #peak 11206
18 LYS HA 29 CYSS H 3.5 #peak 11223
18 LYS HA 29 CYSS H 3.5 #peak 11224
18 LYS HB2 19 TYR HA 3.5 #peak 11250
18 LYS HB2 22 CYSS HA 3.5 #peak 11280
18 LYS HB2 26 PRO HA 3.5 #peak 11289
18 LYS HB2 26 PRO HA 3.5 #peak 11290
18 LYS HB2 27 ALA H 3.5 #peak 11301
18 LYS HB2 27 ALA HA 3.5 #peak 11303
18 LYS HB2 28 TYR HA 3.5 #peak 11309
18 LYS HB2 29 CYSS H 3.5 #peak 11319
18 LYS HB2 29 CYSS H 3.5 #peak 11320
18 LYS HB2 29 CYSS HA 3.5 #peak 11322
18 LYS HB3 19 TYR HA 3.5 #peak 11344
18 LYS HB3 21 TYR H 3.5 #peak 11359
18 LYS HB3 21 TYR H 3.5 #peak 11360
18 LYS HB3 22 CYSS HA 3.5 #peak 11374
18 LYS HB3 26 PRO HA 3.5 #peak 11379
18 LYS HB3 26 PRO HA 3.5 #peak 11380
18 LYS HB3 27 ALA HA 3.5 #peak 11389
18 LYS HB3 28 TYR H 3.5 #peak 11393
18 LYS HB3 28 TYR HA 3.5 #peak 11395
18 LYS HB3 29 CYSS H 3.5 #peak 11406
18 LYS HB3 29 CYSS HA 3.5 #peak 11408
18 LYS HB3 30 GLY H 3.5 #peak 11413
18 LYS HG2 19 TYR HA 3.5 #peak 11428
18 LYS HG2 19 TYR HB3 3.5 #peak 11431
18 LYS HG2 19 TYR HB3 3.5 #peak 11432
18 LYS HG2 20 GLY HA2 3.5 #peak 11439
18 LYS HG2 20 GLY HA3 3.5 #peak 11442
18 LYS HG2 21 TYR H 3.5 #peak 11444
18 LYS HG2 21 TYR HA 3.5 #peak 11446
18 LYS HG2 21 TYR QD 3.5 #peak 11452
18 LYS HG2 22 CYSS H 3.5 #peak 11455
18 LYS HG2 22 CYSS H 3.5 #peak 11456
18 LYS HG2 22 CYSS HA 3.5 #peak 11457
18 LYS HG2 22 CYSS HA 3.5 #peak 11458
18 LYS HG2 23 GLY HA3 3.5 #peak 11461
18 LYS HG2 25 GLY HA3 3.5 #peak 11466
18 LYS HG2 26 PRO HA 3.5 #peak 11467
18 LYS HG2 26 PRO HA 3.5 #peak 11468
18 LYS HG2 26 PRO HD2 3.5 #peak 11475
18 LYS HG2 27 ALA HA 3.5 #peak 11479
18 LYS HG2 27 ALA HA 3.5 #peak 11480
18 LYS HG2 28 TYR H 3.5 #peak 11483
18 LYS HG2 28 TYR H 3.5 #peak 11484
18 LYS HG2 28 TYR HA 3.5 #peak 11485
18 LYS HG2 28 TYR HA 3.5 #peak 11486
18 LYS HG2 28 TYR HB2 3.5 #peak 11487
18 LYS HG2 28 TYR HB2 3.5 #peak 11488
18 LYS HG2 29 CYSS HA 3.5 #peak 11498
18 LYS HG2 29 CYSS HB3 3.5 #peak 11501
18 LYS HG2 30 GLY H 3.5 #peak 11504
18 LYS HG2 30 GLY HA2 3.5 #peak 11505
18 LYS HG2 30 GLY HA3 3.5 #peak 11507
18 LYS HG2 30 GLY HA3 3.5 #peak 11508
18 LYS HG3 19 TYR HA 3.5 #peak 11516
18 LYS HG3 19 TYR HB3 3.5 #peak 11519
18 LYS HG3 20 GLY H 3.5 #peak 11525
18 LYS HG3 20 GLY H 3.5 #peak 11526
18 LYS HG3 20 GLY HA2 3.5 #peak 11527
18 LYS HG3 21 TYR H 3.5 #peak 11531
18 LYS HG3 21 TYR H 3.5 #peak 11532
18 LYS HG3 21 TYR HA 3.5 #peak 11534
18 LYS HG3 22 CYSS H 3.5 #peak 11543
18 LYS HG3 22 CYSS H 3.5 #peak 11544
18 LYS HG3 22 CYSS HA 3.5 #peak 11545
18 LYS HG3 22 CYSS HA 3.5 #peak 11546
18 LYS HG3 25 GLY HA3 3.5 #peak 11552
18 LYS HG3 26 PRO HA 3.5 #peak 11553
18 LYS HG3 26 PRO HA 3.5 #peak 11554
18 LYS HG3 26 PRO HD3 3.5 #peak 11565
18 LYS HG3 27 ALA H 3.5 #peak 11568
18 LYS HG3 27 ALA HA 3.5 #peak 11570
18 LYS HG3 28 TYR H 3.5 #peak 11574
18 LYS HG3 28 TYR HB2 3.5 #peak 11577
18 LYS HG3 28 TYR HB2 3.5 #peak 11578
18 LYS HG3 29 CYSS H 3.5 #peak 11585
18 LYS HG3 29 CYSS H 3.5 #peak 11586
18 LYS HG3 29 CYSS HA 3.5 #peak 11588
18 LYS HG3 30 GLY H 3.5 #peak 11594
18 LYS HG3 30 GLY HA2 3.5 #peak 11595
18 LYS HG3 30 GLY HA3 3.5 #peak 11597
18 LYS QD 19 TYR HA 3.5 #peak 11604
18 LYS QD 20 GLY H 3.5 #peak 11614
18 LYS QD 21 TYR H 3.5 #peak 11619
18 LYS QD 21 TYR HA 3.5 #peak 11622
18 LYS QD 22 CYSS HA 3.5 #peak 11634
18 LYS QD 26 PRO HA 3.5 #peak 11647
18 LYS QD 28 TYR QE 3.5 #peak 11678
18 LYS QD 29 CYSS H 3.5 #peak 11679
18 LYS QD 29 CYSS H 3.5 #peak 11680
18 LYS QE 28 TYR HA 3.5 #peak 11761
19 TYR H 21 TYR HA 3.5 #peak 11804
19 TYR H 22 CYSS H 3.5 #peak 11813
19 TYR H 22 CYSS H 3.5 #peak 11814
19 TYR H 22 CYSS HA 3.5 #peak 11815
19 TYR H 22 CYSS HB3 3.5 #peak 11817
19 TYR H 23 GLY H 3.5 #peak 11821
19 TYR H 23 GLY H 3.5 #peak 11822
19 TYR H 25 GLY H 3.5 #peak 11829
19 TYR H 25 GLY HA3 3.5 #peak 11832
19 TYR H 27 ALA H 3.5 #peak 11834
19 TYR H 27 ALA HA 3.5 #peak 11835
19 TYR H 27 ALA HA 3.5 #peak 11836
19 TYR H 28 TYR HA 3.5 #peak 11841
19 TYR H 28 TYR HA 3.5 #peak 11842
19 TYR H 28 TYR HB2 3.5 #peak 11844
19 TYR H 29 CYSS H 3.5 #peak 11851
19 TYR H 29 CYSS H 3.5 #peak 11852
19 TYR H 29 CYSS HA 3.5 #peak 11854
19 TYR H 30 GLY HA2 3.5 #peak 11857
19 TYR H 30 GLY HA2 3.5 #peak 11858
19 TYR H 30 GLY HA3 3.5 #peak 11859
19 TYR H 30 GLY HA3 3.5 #peak 11860
19 TYR HA 21 TYR HB3 3.5 #peak 11881
19 TYR HB2 25 GLY H 3.5 #peak 11943
19 TYR HB2 25 GLY H 3.5 #peak 11944
19 TYR HB2 28 TYR HA 3.5 #peak 11957
19 TYR HB2 30 GLY H 3.5 #peak 11972
19 TYR HB3 22 CYSS H 3.5 #peak 12000
19 TYR HB3 22 CYSS HA 3.5 #peak 12001
19 TYR QD 26 PRO HG2 3.5 #peak 12067
20 GLY HA3 22 CYSS HA 3.5 #peak 12301
20 GLY HA3 23 GLY H 3.5 #peak 12307
21 TYR H 22 CYSS HA 3.5 #peak 12335
21 TYR H 23 GLY HA2 3.5 #peak 12343
21 TYR H 25 GLY H 3.5 #peak 12356
21 TYR H 25 GLY HA3 3.5 #peak 12358
21 TYR H 27 ALA HA 3.5 #peak 12359
21 TYR H 27 ALA HA 3.5 #peak 12360
21 TYR H 28 TYR HA 3.5 #peak 12365
21 TYR H 28 TYR HA 3.5 #peak 12366
21 TYR H 28 TYR HB2 3.5 #peak 12367
21 TYR H 28 TYR HB2 3.5 #peak 12368
21 TYR H 29 CYSS HA 3.5 #peak 12378
21 TYR HA 23 GLY HA2 3.5 #peak 12399
21 TYR HB3 22 CYSS HA 3.5 #peak 12491
22 CYSS H 26 PRO HD2 3.5 #peak 12645
22 CYSS H 26 PRO HD2 3.5 #peak 12646
22 CYSS H 28 TYR HA 3.5 #peak 12651
22 CYSS H 28 TYR HA 3.5 #peak 12652
22 CYSS HA 24 SER HB2 3.5 #peak 12679
22 CYSS HA 24 SER HB2 3.5 #peak 12680
22 CYSS HA 24 SER HB3 3.5 #peak 12681
22 CYSS HA 24 SER HB3 3.5 #peak 12682
22 CYSS HA 25 GLY H 3.5 #peak 12683
22 CYSS HA 25 GLY H 3.5 #peak 12684
22 CYSS HA 25 GLY HA2 3.5 #peak 12686
22 CYSS HA 26 PRO HD2 3.5 #peak 12689
22 CYSS HA 26 PRO HD2 3.5 #peak 12690
22 CYSS HA 27 ALA HA 3.5 #peak 12693
22 CYSS HA 27 ALA HA 3.5 #peak 12694
22 CYSS HA 27 ALA QB 3.5 #peak 12696
22 CYSS HA 28 TYR HA 3.5 #peak 12699
22 CYSS HA 28 TYR HA 3.5 #peak 12700
22 CYSS HA 28 TYR HB2 3.5 #peak 12701
22 CYSS HA 28 TYR HB2 3.5 #peak 12702
22 CYSS HA 29 CYSS H 3.5 #peak 12709
22 CYSS HA 29 CYSS HB3 3.5 #peak 12716
22 CYSS HB2 25 GLY H 3.5 #peak 12773
22 CYSS HB2 25 GLY H 3.5 #peak 12774
22 CYSS HB2 28 TYR HA 3.5 #peak 12785
23 GLY H 25 GLY H 3.5 #peak 12815
23 GLY H 25 GLY HA2 3.5 #peak 12818
23 GLY H 26 PRO HG2 3.5 #peak 12823
23 GLY H 29 CYSS HA 3.5 #peak 12850
23 GLY HA2 29 CYSS H 3.5 #peak 12904
23 GLY HA3 27 ALA H 3.5 #peak 12945
23 GLY HA3 27 ALA H 3.5 #peak 12946
23 GLY HA3 29 CYSS H 3.5 #peak 12963
23 GLY HA3 29 CYSS H 3.5 #peak 12964
24 SER H 26 PRO HB3 3.5 #peak 12992
24 SER HA 26 PRO HB3 3.5 #peak 13047
24 SER HA 26 PRO HB2 3.5 #peak 13049
24 SER HA 27 ALA H 3.5 #peak 13059
24 SER HA 30 GLY H 3.5 #peak 13085
24 SER HB2 27 ALA H 3.5 #peak 13113
25 GLY H 26 PRO HB3 3.5 #peak 13204
25 GLY H 27 ALA HA 3.5 #peak 13217
25 GLY H 27 ALA HA 3.5 #peak 13218
25 GLY H 28 TYR HA 3.5 #peak 13223
25 GLY H 28 TYR HA 3.5 #peak 13224
25 GLY HA2 27 ALA H 3.5 #peak 13263
26 PRO HB3 28 TYR H 3.5 #peak 13401
26 PRO HB3 28 TYR QE 3.5 #peak 13412
26 PRO HG2 29 CYSS H 3.5 #peak 13491
26 PRO HG2 29 CYSS H 3.5 #peak 13492
26 PRO HG2 30 GLY H 3.5 #peak 13499
26 PRO HG2 30 GLY H 3.5 #peak 13500
26 PRO HG3 29 CYSS H 3.5 #peak 13527
26 PRO HD2 29 CYSS H 3.5 #peak 13561
26 PRO HD2 29 CYSS H 3.5 #peak 13562
  5 CYSS H      20 GLY  O       1.80
  5 CYSS N      20 GLY  O       2.70
  6 TYR  H       9 ARG  O       1.80
  6 TYR  N       9 ARG  O       2.70
  6 TYR  O       9 ARG  H       1.80
  6 TYR  O       9 ARG  N       2.70
 11 SER  O      14 LEU  H       1.80
 11 SER  O      14 LEU  N       2.70
 15 CYSS H      23 GLY  O       1.80
 15 CYSS N      23 GLY  O       2.70
 17 SER  H      21 TYR  O       1.80
 17 SER  N      21 TYR  O       2.70
 17 SER  HG     21 TYR  O       1.80
 17 SER  OG     21 TYR  O       2.70
 17 SER  OG     19 TYR  H       1.80
 17 SER  OG     19 TYR  N       2.70
 17 SER  O      20 GLY  H       1.80
 17 SER  O      20 GLY  N       2.70
 17 SER  OG     21 TYR  H       1.80
 17 SER  OG     21 TYR  N       2.70
  3 GLY  O      22 CYSS H       1.80
  3 GLY  O      22 CYSS N       2.70
 15 CYSS O      23 GLY  H       1.80
 15 CYSS O      23 GLY  N       2.70
 24 SER  OG     25 GLY  H       1.80
 24 SER  OG     25 GLY  N       2.70
 25 GLY  O      28 TYR  H       1.80
 25 GLY  O      28 TYR  N       2.70
 25 GLY  O      29 CYSS H       1.80
 25 GLY  O      29 CYSS N       2.70
 26 PRO  O      30 GLY  H       1.80
 26 PRO  O      30 GLY  N       2.70
  5 CYSS SG     16 CYSS SG      2.00
  5 CYSS SG     16 CYSS CB      3.00
  5 CYSS CB     16 CYSS SG      3.00
 10 CYSS SG     22 CYSS SG      2.00
 10 CYSS SG     22 CYSS CB      3.00
 10 CYSS CB     22 CYSS SG      3.00
 15 CYSS SG     29 CYSS SG      2.00
 15 CYSS SG     29 CYSS CB      3.00
 15 CYSS CB     29 CYSS SG      3.00
  5 CYSS H      20 GLY  O       2.00
  5 CYSS N      20 GLY  O       3.00
  6 TYR  H       9 ARG  O       2.00
  6 TYR  N       9 ARG  O       3.00
  6 TYR  O       9 ARG  H       2.00
  6 TYR  O       9 ARG  N       3.00
 11 SER  O      14 LEU  H       2.00
 11 SER  O      14 LEU  N       3.00
 15 CYSS H      23 GLY  O       2.00
 15 CYSS N      23 GLY  O       3.00
 17 SER  H      21 TYR  O       2.00
 17 SER  N      21 TYR  O       3.00
 17 SER  HG     21 TYR  O       2.00
 17 SER  OG     21 TYR  O       3.00
 17 SER  OG     19 TYR  H       2.00
 17 SER  OG     19 TYR  N       3.00
 17 SER  O      20 GLY  H       2.00
 17 SER  O      20 GLY  N       3.00
 17 SER  OG     21 TYR  H       2.00
 17 SER  OG     21 TYR  N       3.00
  3 GLY  O      22 CYSS H       2.00
  3 GLY  O      22 CYSS N       3.00
 15 CYSS O      23 GLY  H       2.00
 15 CYSS O      23 GLY  N       3.00
 24 SER  OG     25 GLY  H       2.00
 24 SER  OG     25 GLY  N       3.00
 25 GLY  O      28 TYR  H       2.00
 25 GLY  O      28 TYR  N       3.00
 25 GLY  O      29 CYSS H       2.00
 25 GLY  O      29 CYSS N       3.00
 26 PRO  O      30 GLY  H       2.00
 26 PRO  O      30 GLY  N       3.00
  5 CYSS SG     16 CYSS SG      2.10
  5 CYSS SG     16 CYSS CB      3.10
  5 CYSS CB     16 CYSS SG      3.10
 10 CYSS SG     22 CYSS SG      2.10
 10 CYSS SG     22 CYSS CB      3.10
 10 CYSS CB     22 CYSS SG      3.10
 15 CYSS SG     29 CYSS SG      2.10
 15 CYSS SG     29 CYSS CB      3.10
 15 CYSS CB     29 CYSS SG      3.10


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   1.842  -0.899  -1.787
    3    HB1  ALA   1           1HB      ALA   1   0.654   1.145  -2.333
    4    HB2  ALA   1           2HB      ALA   1   1.915   2.107  -1.558
    5    HB3  ALA   1           3HB      ALA   1   2.281   1.181  -3.014
    6    H    ALA   2           H        ALA   2   3.515   1.929  -0.424
    7    HA   ALA   2           HA       ALA   2   5.839   0.409   0.302
    8    HB1  ALA   2           1HB      ALA   2   6.373   0.398  -1.984
    9    HB2  ALA   2           2HB      ALA   2   5.864   2.074  -2.198
   10    HB3  ALA   2           3HB      ALA   2   7.335   1.707  -1.297
   11    H    GLY   3           H        GLY   3   5.431   3.735  -0.917
   12    HA2  GLY   3           2HA      GLY   3   5.027   5.560   0.670
   13    HA3  GLY   3           3HA      GLY   3   6.041   4.691   1.811
   14    H    GLN   4           H        GLN   4   6.124   7.421   0.387
   15    HA   GLN   4           HA       GLN   4   8.686   7.249  -0.981
   16    HB2  GLN   4           2HB      GLN   4   6.951   9.661  -0.425
   17    HB3  GLN   4           3HB      GLN   4   8.356   9.618  -1.481
   18    HG2  GLN   4           2HG      GLN   4   7.174   8.831  -3.187
   19    HG3  GLN   4           3HG      GLN   4   6.394   7.606  -2.187
   20   HE21  GLN   4          1HE2      GLN   4   4.388   7.983  -1.361
   21   HE22  GLN   4          2HE2      GLN   4   3.432   9.364  -1.765
   22    H    CYS   5           H        CYS   5  10.586   8.152  -0.265
   23    HA   CYS   5           HA       CYS   5  10.977   8.270   2.540
   24    HB2  CYS   5           2HB      CYS   5  12.862   9.320   0.426
   25    HB3  CYS   5           3HB      CYS   5  13.271   8.754   2.042
   26    H    TYR   6           H        TYR   6  11.634  10.049   3.828
   27    HA   TYR   6           HA       TYR   6  10.562  12.617   2.872
   28    HB2  TYR   6           2HB      TYR   6  10.644  11.303   5.555
   29    HB3  TYR   6           3HB      TYR   6  10.650  13.062   5.476
   30    HD1  TYR   6           HD2      TYR   6   8.736  10.051   4.459
   31    HD2  TYR   6           HD1      TYR   6   8.659  14.258   5.089
   32    HE1  TYR   6           HE2      TYR   6   6.290  10.040   4.194
   33    HE2  TYR   6           HE1      TYR   6   6.214  14.259   4.827
   34    HH   TYR   6           HH       TYR   6   4.364  12.903   4.807
   35    H    ARG   7           H        ARG   7  12.056  14.032   2.283
   36    HA   ARG   7           HA       ARG   7  14.064  15.101   2.073
   37    HB2  ARG   7           2HB      ARG   7  13.066  15.896   4.307
   38    HB3  ARG   7           3HB      ARG   7  14.267  14.859   5.065
   39    HG2  ARG   7           2HG      ARG   7  16.022  16.184   4.425
   40    HG3  ARG   7           3HG      ARG   7  15.160  16.837   3.030
   41    HD2  ARG   7           2HD      ARG   7  13.729  17.572   5.366
   42    HD3  ARG   7           3HD      ARG   7  15.431  17.943   5.636
   43    HE   ARG   7           HE       ARG   7  14.674  18.865   3.091
   44   HH11  ARG   7          1HH1      ARG   7  14.160  19.554   6.465
   45   HH12  ARG   7          2HH1      ARG   7  13.871  21.243   6.210
   46   HH21  ARG   7          1HH2      ARG   7  14.296  21.088   2.743
   47   HH22  ARG   7          2HH2      ARG   7  13.948  22.114   4.093
   48    H    GLY   8           H        GLY   8  14.308  12.354   1.671
   49    HA2  GLY   8           2HA      GLY   8  16.006  10.829   1.368
   50    HA3  GLY   8           3HA      GLY   8  17.111  12.015   2.048
   51    H    ARG   9           H        ARG   9  14.281  10.825   3.737
   52    HA   ARG   9           HA       ARG   9  15.871   8.986   5.333
   53    HB2  ARG   9           2HB      ARG   9  15.859  11.470   6.256
   54    HB3  ARG   9           3HB      ARG   9  14.282  10.992   6.867
   55    HG2  ARG   9           2HG      ARG   9  15.346  10.181   8.635
   56    HG3  ARG   9           3HG      ARG   9  15.930   8.892   7.581
   57    HD2  ARG   9           2HD      ARG   9  17.841  10.446   6.979
   58    HD3  ARG   9           3HD      ARG   9  17.310  11.460   8.321
   59    HE   ARG   9           HE       ARG   9  17.724   8.726   9.073
   60   HH11  ARG   9          1HH1      ARG   9  19.280  11.796   8.550
   61   HH12  ARG   9          2HH1      ARG   9  20.605  11.453   9.612
   62   HH21  ARG   9          1HH2      ARG   9  19.464   8.262  10.475
   63   HH22  ARG   9          2HH2      ARG   9  20.709   9.442  10.706
   64    H    CYS  10           H        CYS  10  14.706   7.285   6.016
   65    HA   CYS  10           HA       CYS  10  11.777   7.443   5.728
   66    HB2  CYS  10           2HB      CYS  10  13.683   5.172   5.171
   67    HB3  CYS  10           3HB      CYS  10  11.949   4.923   5.353
   68    H    SER  11           H        SER  11  10.496   6.252   7.216
   69    HA   SER  11           HA       SER  11  11.697   6.114   9.858
   70    HB2  SER  11           2HB      SER  11   8.819   5.778   8.980
   71    HB3  SER  11           3HB      SER  11   9.373   5.843  10.652
   72    HG   SER  11           HG       SER  11   9.169   7.880   8.757
   73    H    GLY  12           H        GLY  12  10.407   4.234  11.211
   74    HA2  GLY  12           2HA      GLY  12  10.434   1.994  11.707
   75    HA3  GLY  12           3HA      GLY  12   9.981   1.746  10.027
   76    H    GLY  13           H        GLY  13  12.954   3.376  10.710
   77    HA2  GLY  13           2HA      GLY  13  15.141   2.788  10.344
   78    HA3  GLY  13           3HA      GLY  13  14.698   1.200  10.953
   79    H    LEU  14           H        LEU  14  12.975   2.339   8.210
   80    HA   LEU  14           HA       LEU  14  13.971   0.188   6.603
   81    HB2  LEU  14           2HB      LEU  14  12.004   2.404   6.183
   82    HB3  LEU  14           3HB      LEU  14  12.537   1.413   4.826
   83    HG   LEU  14           HG       LEU  14  11.158   0.383   7.305
   84   HD11  LEU  14          1HD1      LEU  14   9.499  -0.140   5.233
   85   HD12  LEU  14          2HD1      LEU  14  10.171   1.412   4.737
   86   HD13  LEU  14          3HD1      LEU  14   9.356   1.262   6.293
   87   HD21  LEU  14          3HD2      LEU  14  11.731  -1.659   6.654
   88   HD22  LEU  14          1HD2      LEU  14  12.768  -0.941   5.420
   89   HD23  LEU  14          2HD2      LEU  14  11.099  -1.362   5.034
   90    H    CYS  15           H        CYS  15  14.423   0.829   4.165
   91    HA   CYS  15           HA       CYS  15  16.523   2.898   4.210
   92    HB2  CYS  15           2HB      CYS  15  16.429   0.225   2.821
   93    HB3  CYS  15           3HB      CYS  15  17.548   1.492   2.329
   94    H    CYS  16           H        CYS  16  16.822   4.157   2.334
   95    HA   CYS  16           HA       CYS  16  14.372   4.574   0.833
   96    HB2  CYS  16           2HB      CYS  16  15.851   6.415   1.872
   97    HB3  CYS  16           3HB      CYS  16  16.917   6.145   0.497
   98    H    SER  17           H        SER  17  14.020   3.864  -1.163
   99    HA   SER  17           HA       SER  17  16.077   2.374  -2.535
  100    HB2  SER  17           2HB      SER  17  14.371   1.568  -3.934
  101    HB3  SER  17           3HB      SER  17  13.558   1.794  -2.385
  102    HG   SER  17           HG       SER  17  12.298   3.174  -3.322
  103    H    LYS  18           H        LYS  18  16.270   2.699  -4.974
  104    HA   LYS  18           HA       LYS  18  17.285   5.309  -5.445
  105    HB2  LYS  18           2HB      LYS  18  18.251   3.296  -6.481
  106    HB3  LYS  18           3HB      LYS  18  16.771   3.059  -7.400
  107    HG2  LYS  18           2HG      LYS  18  17.165   4.943  -8.735
  108    HG3  LYS  18           3HG      LYS  18  18.385   5.576  -7.629
  109    HD2  LYS  18           2HD      LYS  18  18.814   2.917  -8.917
  110    HD3  LYS  18           3HD      LYS  18  19.094   4.388  -9.853
  111    HE2  LYS  18           2HE      LYS  18  20.998   4.833  -8.770
  112    HE3  LYS  18           3HE      LYS  18  20.278   4.497  -7.197
  113    HZ1  LYS  18           3HZ      LYS  18  21.506   2.666  -7.174
  114    HZ2  LYS  18           1HZ      LYS  18  21.963   2.850  -8.793
  115    HZ3  LYS  18           2HZ      LYS  18  20.525   2.048  -8.406
  116    H    TYR  19           H        TYR  19  14.172   4.085  -5.573
  117    HA   TYR  19           HA       TYR  19  13.304   5.989  -7.627
  118    HB2  TYR  19           2HB      TYR  19  12.129   3.506  -6.457
  119    HB3  TYR  19           3HB      TYR  19  11.037   4.729  -7.097
  120    HD1  TYR  19           HD2      TYR  19  11.418   5.498  -9.517
  121    HD2  TYR  19           HD1      TYR  19  13.154   1.970  -7.890
  122    HE1  TYR  19           HE2      TYR  19  11.772   4.631 -11.791
  123    HE2  TYR  19           HE1      TYR  19  13.514   1.094 -10.160
  124    HH   TYR  19           HH       TYR  19  13.554   1.654 -12.365
  125    H    GLY  20           H        GLY  20  13.949   6.171  -4.504
  126    HA2  GLY  20           2HA      GLY  20  13.377   7.836  -2.992
  127    HA3  GLY  20           3HA      GLY  20  12.086   8.334  -4.075
  128    H    TYR  21           H        TYR  21  11.970   5.026  -3.519
  129    HA   TYR  21           HA       TYR  21   9.791   5.407  -1.585
  130    HB2  TYR  21           2HB      TYR  21  10.320   2.990  -3.320
  131    HB3  TYR  21           3HB      TYR  21   8.872   3.324  -2.377
  132    HD1  TYR  21           HD2      TYR  21   8.395   6.164  -3.058
  133    HD2  TYR  21           HD1      TYR  21   9.558   2.897  -5.524
  134    HE1  TYR  21           HE2      TYR  21   7.382   7.278  -5.002
  135    HE2  TYR  21           HE1      TYR  21   8.549   4.003  -7.475
  136    HH   TYR  21           HH       TYR  21   7.012   5.666  -8.059
  137    H    CYS  22           H        CYS  22   9.783   4.396   0.357
  138    HA   CYS  22           HA       CYS  22  12.274   3.356   1.329
  139    HB2  CYS  22           2HB      CYS  22   9.624   3.333   2.774
  140    HB3  CYS  22           3HB      CYS  22  11.237   3.317   3.479
  141    H    GLY  23           H        GLY  23  12.586   1.280   2.305
  142    HA2  GLY  23           2HA      GLY  23  10.788  -0.840   2.284
  143    HA3  GLY  23           3HA      GLY  23  11.598  -0.858   0.724
  144    H    SER  24           H        SER  24  12.432  -2.941   1.343
  145    HA   SER  24           HA       SER  24  14.824  -2.691   3.036
  146    HB2  SER  24           2HB      SER  24  12.941  -3.905   4.209
  147    HB3  SER  24           3HB      SER  24  13.073  -5.155   2.972
  148    HG   SER  24           HG       SER  24  14.589  -4.763   5.166
  149    H    GLY  25           H        GLY  25  15.948  -5.123   2.715
  150    HA2  GLY  25           2HA      GLY  25  16.785  -6.665   1.146
  151    HA3  GLY  25           3HA      GLY  25  15.989  -5.762  -0.134
  152    HA   PRO  26           HA       PRO  26  20.453  -4.665   0.032
  153    HB2  PRO  26           2HB      PRO  26  21.406  -6.006  -2.150
  154    HB3  PRO  26           3HB      PRO  26  21.546  -6.616  -0.513
  155    HG2  PRO  26           2HG      PRO  26  19.715  -7.486  -2.665
  156    HG3  PRO  26           3HG      PRO  26  20.168  -8.334  -1.199
  157    HD2  PRO  26           2HD      PRO  26  17.700  -6.958  -1.693
  158    HD3  PRO  26           3HD      PRO  26  18.200  -7.705  -0.189
  159    H    ALA  27           H        ALA  27  18.090  -4.798  -2.333
  160    HA   ALA  27           HA       ALA  27  19.321  -2.865  -4.077
  161    HB1  ALA  27           1HB      ALA  27  17.416  -3.078  -5.439
  162    HB2  ALA  27           2HB      ALA  27  17.698  -4.689  -4.778
  163    HB3  ALA  27           3HB      ALA  27  16.427  -3.670  -4.104
  164    H    TYR  28           H        TYR  28  17.900  -2.618  -1.109
  165    HA   TYR  28           HA       TYR  28  16.935   0.114  -1.651
  166    HB2  TYR  28           2HB      TYR  28  16.002  -1.949   0.333
  167    HB3  TYR  28           3HB      TYR  28  15.648  -0.239   0.550
  168    HD1  TYR  28           HD2      TYR  28  15.511  -2.706  -2.264
  169    HD2  TYR  28           HD1      TYR  28  13.540   0.390  -0.112
  170    HE1  TYR  28           HE2      TYR  28  13.559  -2.928  -3.744
  171    HE2  TYR  28           HE1      TYR  28  11.582   0.176  -1.586
  172    HH   TYR  28           HH       TYR  28  10.826  -2.258  -3.296
  173    H    CYS  29           H        CYS  29  18.709  -1.954   0.595
  174    HA   CYS  29           HA       CYS  29  19.657   0.384   2.068
  175    HB2  CYS  29           2HB      CYS  29  19.894  -2.585   2.551
  176    HB3  CYS  29           3HB      CYS  29  20.763  -1.396   3.515
  177    H    GLY  30           H        GLY  30  20.694  -1.906  -0.307
  178    HA2  GLY  30           2HA      GLY  30  23.513  -1.463   0.071
  179    HA3  GLY  30           3HA      GLY  30  22.760  -2.327  -1.261
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1   0.208   0.127  -1.931
    2    HA   ALA   1           HA       ALA   1   2.612   1.143  -2.845
    3    HB1  ALA   1           1HB      ALA   1   1.992   3.068  -1.145
    4    HB2  ALA   1           2HB      ALA   1   1.050   2.788  -2.609
    5    HB3  ALA   1           3HB      ALA   1   0.474   2.174  -1.060
    6    H    ALA   2           H        ALA   2   4.627   1.152  -2.095
    7    HA   ALA   2           HA       ALA   2   5.252  -0.089   0.415
    8    HB1  ALA   2           1HB      ALA   2   7.293   1.379  -1.189
    9    HB2  ALA   2           2HB      ALA   2   7.436  -0.136  -0.298
   10    HB3  ALA   2           3HB      ALA   2   6.579  -0.098  -1.839
   11    H    GLY   3           H        GLY   3   5.698   3.186  -0.923
   12    HA2  GLY   3           2HA      GLY   3   5.001   4.971   0.724
   13    HA3  GLY   3           3HA      GLY   3   6.076   4.148   1.844
   14    H    GLN   4           H        GLN   4   5.985   6.898   0.459
   15    HA   GLN   4           HA       GLN   4   8.537   6.895  -0.937
   16    HB2  GLN   4           2HB      GLN   4   6.657   8.234  -1.813
   17    HB3  GLN   4           3HB      GLN   4   6.655   9.181  -0.331
   18    HG2  GLN   4           2HG      GLN   4   8.952   9.917  -0.834
   19    HG3  GLN   4           3HG      GLN   4   8.875   9.030  -2.356
   20   HE21  GLN   4          1HE2      GLN   4   8.839  11.998  -1.261
   21   HE22  GLN   4          2HE2      GLN   4   7.725  12.755  -2.342
   22    H    CYS   5           H        CYS   5  10.390   7.894  -0.225
   23    HA   CYS   5           HA       CYS   5  10.803   7.996   2.577
   24    HB2  CYS   5           2HB      CYS   5  12.604   9.180   0.462
   25    HB3  CYS   5           3HB      CYS   5  13.060   8.615   2.066
   26    H    TYR   6           H        TYR   6  11.952   9.983   3.560
   27    HA   TYR   6           HA       TYR   6  10.601  12.457   2.722
   28    HB2  TYR   6           2HB      TYR   6   9.520  11.259   4.727
   29    HB3  TYR   6           3HB      TYR   6  10.956  11.740   5.625
   30    HD1  TYR   6           HD1      TYR   6  11.381  14.095   6.124
   31    HD2  TYR   6           HD2      TYR   6   7.863  12.885   4.059
   32    HE1  TYR   6           HE1      TYR   6  10.372  16.294   6.567
   33    HE2  TYR   6           HE2      TYR   6   6.845  15.081   4.495
   34    HH   TYR   6           HH       TYR   6   8.110  17.283   6.726
   35    H    ARG   7           H        ARG   7  12.222  13.713   2.059
   36    HA   ARG   7           HA       ARG   7  14.252  14.755   1.950
   37    HB2  ARG   7           2HB      ARG   7  13.602  14.861   4.891
   38    HB3  ARG   7           3HB      ARG   7  15.011  15.668   4.214
   39    HG2  ARG   7           2HG      ARG   7  13.315  16.767   2.603
   40    HG3  ARG   7           3HG      ARG   7  12.114  16.261   3.793
   41    HD2  ARG   7           2HD      ARG   7  12.610  18.029   5.039
   42    HD3  ARG   7           3HD      ARG   7  14.266  17.445   5.199
   43    HE   ARG   7           HE       ARG   7  13.912  18.766   2.720
   44   HH11  ARG   7          1HH1      ARG   7  14.244  19.372   6.132
   45   HH12  ARG   7          2HH1      ARG   7  14.926  20.950   5.918
   46   HH21  ARG   7          1HH2      ARG   7  14.809  20.842   2.425
   47   HH22  ARG   7          2HH2      ARG   7  15.247  21.785   3.809
   48    H    GLY   8           H        GLY   8  14.422  11.916   1.989
   49    HA2  GLY   8           2HA      GLY   8  16.202  10.432   1.939
   50    HA3  GLY   8           3HA      GLY   8  17.196  11.649   2.726
   51    H    ARG   9           H        ARG   9  14.127  10.622   4.039
   52    HA   ARG   9           HA       ARG   9  15.467   8.906   5.993
   53    HB2  ARG   9           2HB      ARG   9  15.112  11.430   6.717
   54    HB3  ARG   9           3HB      ARG   9  13.476  10.870   7.034
   55    HG2  ARG   9           2HG      ARG   9  14.415   9.102   8.494
   56    HG3  ARG   9           3HG      ARG   9  16.016   9.804   8.246
   57    HD2  ARG   9           2HD      ARG   9  14.812  12.005   9.029
   58    HD3  ARG   9           3HD      ARG   9  13.681  10.869   9.764
   59    HE   ARG   9           HE       ARG   9  15.247  10.439  11.362
   60   HH11  ARG   9          1HH1      ARG   9  16.846  11.791   8.580
   61   HH12  ARG   9          2HH1      ARG   9  18.397  11.872   9.348
   62   HH21  ARG   9          1HH2      ARG   9  17.284  10.541  12.384
   63   HH22  ARG   9          2HH2      ARG   9  18.645  11.160  11.512
   64    H    CYS  10           H        CYS  10  14.295   7.163   6.549
   65    HA   CYS  10           HA       CYS  10  11.444   7.127   5.807
   66    HB2  CYS  10           2HB      CYS  10  13.566   5.041   5.339
   67    HB3  CYS  10           3HB      CYS  10  11.855   4.626   5.369
   68    H    SER  11           H        SER  11  10.100   5.701   7.046
   69    HA   SER  11           HA       SER  11  10.887   5.619   9.825
   70    HB2  SER  11           2HB      SER  11   8.339   5.173   8.318
   71    HB3  SER  11           3HB      SER  11   8.481   4.548   9.960
   72    HG   SER  11           HG       SER  11   9.021   6.688  10.620
   73    H    GLY  12           H        GLY  12  10.036   3.546  11.047
   74    HA2  GLY  12           2HA      GLY  12  10.484   1.352  11.551
   75    HA3  GLY  12           3HA      GLY  12  10.091   1.026   9.869
   76    H    GLY  13           H        GLY  13  12.721   3.158  10.609
   77    HA2  GLY  13           2HA      GLY  13  14.972   2.989  10.185
   78    HA3  GLY  13           3HA      GLY  13  14.838   1.378  10.876
   79    H    LEU  14           H        LEU  14  13.002   2.179   8.049
   80    HA   LEU  14           HA       LEU  14  14.271   0.093   6.553
   81    HB2  LEU  14           2HB      LEU  14  12.088   2.063   6.009
   82    HB3  LEU  14           3HB      LEU  14  12.774   1.115   4.691
   83    HG   LEU  14           HG       LEU  14  11.551  -0.108   7.158
   84   HD11  LEU  14          1HD1      LEU  14   9.837   1.159   6.025
   85   HD12  LEU  14          2HD1      LEU  14   9.591  -0.563   5.735
   86   HD13  LEU  14          3HD1      LEU  14  10.295   0.451   4.476
   87   HD21  LEU  14          3HD2      LEU  14  11.875  -2.132   6.181
   88   HD22  LEU  14          1HD2      LEU  14  13.234  -1.274   5.455
   89   HD23  LEU  14          2HD2      LEU  14  11.739  -1.489   4.543
   90    H    CYS  15           H        CYS  15  14.717   0.704   4.100
   91    HA   CYS  15           HA       CYS  15  16.646   2.930   4.148
   92    HB2  CYS  15           2HB      CYS  15  16.706   0.276   2.720
   93    HB3  CYS  15           3HB      CYS  15  17.744   1.616   2.242
   94    H    CYS  16           H        CYS  16  16.861   4.230   2.287
   95    HA   CYS  16           HA       CYS  16  14.382   4.523   0.805
   96    HB2  CYS  16           2HB      CYS  16  15.753   6.435   1.860
   97    HB3  CYS  16           3HB      CYS  16  16.832   6.242   0.482
   98    H    SER  17           H        SER  17  14.059   3.821  -1.199
   99    HA   SER  17           HA       SER  17  16.190   2.470  -2.602
  100    HB2  SER  17           2HB      SER  17  14.524   1.585  -4.002
  101    HB3  SER  17           3HB      SER  17  13.710   1.744  -2.446
  102    HG   SER  17           HG       SER  17  12.366   3.061  -3.358
  103    H    LYS  18           H        LYS  18  16.349   2.838  -5.037
  104    HA   LYS  18           HA       LYS  18  17.209   5.508  -5.478
  105    HB2  LYS  18           2HB      LYS  18  17.664   4.738  -7.789
  106    HB3  LYS  18           3HB      LYS  18  18.340   3.667  -6.568
  107    HG2  LYS  18           2HG      LYS  18  16.876   1.969  -7.045
  108    HG3  LYS  18           3HG      LYS  18  15.644   3.064  -7.679
  109    HD2  LYS  18           2HD      LYS  18  16.466   2.953  -9.761
  110    HD3  LYS  18           3HD      LYS  18  18.133   3.113  -9.204
  111    HE2  LYS  18           2HE      LYS  18  16.913   0.545  -8.533
  112    HE3  LYS  18           3HE      LYS  18  17.008   0.847 -10.268
  113    HZ1  LYS  18           3HZ      LYS  18  19.284   0.901 -10.228
  114    HZ2  LYS  18           1HZ      LYS  18  18.987  -0.249  -9.022
  115    HZ3  LYS  18           2HZ      LYS  18  19.373   1.342  -8.597
  116    H    TYR  19           H        TYR  19  14.171   4.108  -5.606
  117    HA   TYR  19           HA       TYR  19  13.182   5.987  -7.629
  118    HB2  TYR  19           2HB      TYR  19  12.153   3.427  -6.482
  119    HB3  TYR  19           3HB      TYR  19  10.995   4.593  -7.111
  120    HD1  TYR  19           HD2      TYR  19  11.139   5.284  -9.515
  121    HD2  TYR  19           HD1      TYR  19  13.454   2.082  -7.937
  122    HE1  TYR  19           HE2      TYR  19  11.539   4.457 -11.796
  123    HE2  TYR  19           HE1      TYR  19  13.861   1.247 -10.214
  124    HH   TYR  19           HH       TYR  19  12.550   2.936 -13.052
  125    H    GLY  20           H        GLY  20  13.835   6.165  -4.508
  126    HA2  GLY  20           2HA      GLY  20  13.178   7.773  -2.970
  127    HA3  GLY  20           3HA      GLY  20  11.854   8.211  -4.039
  128    H    TYR  21           H        TYR  21  11.933   4.894  -3.526
  129    HA   TYR  21           HA       TYR  21   9.747   5.124  -1.576
  130    HB2  TYR  21           2HB      TYR  21  10.402   2.765  -3.347
  131    HB3  TYR  21           3HB      TYR  21   8.944   3.002  -2.391
  132    HD1  TYR  21           HD2      TYR  21   8.291   5.814  -3.026
  133    HD2  TYR  21           HD1      TYR  21   9.639   2.664  -5.549
  134    HE1  TYR  21           HE2      TYR  21   7.202   6.895  -4.948
  135    HE2  TYR  21           HE1      TYR  21   8.555   3.737  -7.479
  136    HH   TYR  21           HH       TYR  21   7.561   5.619  -8.221
  137    H    CYS  22           H        CYS  22   9.811   4.089   0.352
  138    HA   CYS  22           HA       CYS  22  12.363   3.178   1.294
  139    HB2  CYS  22           2HB      CYS  22   9.730   2.987   2.757
  140    HB3  CYS  22           3HB      CYS  22  11.347   3.055   3.451
  141    H    GLY  23           H        GLY  23  12.799   1.111   2.238
  142    HA2  GLY  23           2HA      GLY  23  11.122  -1.106   2.201
  143    HA3  GLY  23           3HA      GLY  23  11.921  -1.058   0.637
  144    H    SER  24           H        SER  24  12.877  -3.097   1.219
  145    HA   SER  24           HA       SER  24  15.261  -2.737   2.904
  146    HB2  SER  24           2HB      SER  24  13.457  -4.072   4.068
  147    HB3  SER  24           3HB      SER  24  13.652  -5.295   2.813
  148    HG   SER  24           HG       SER  24  15.169  -6.018   4.075
  149    H    GLY  25           H        GLY  25  16.519  -5.096   2.542
  150    HA2  GLY  25           2HA      GLY  25  17.434  -6.566   0.947
  151    HA3  GLY  25           3HA      GLY  25  16.579  -5.692  -0.316
  152    HA   PRO  26           HA       PRO  26  20.974  -4.344  -0.158
  153    HB2  PRO  26           2HB      PRO  26  21.988  -5.599  -2.364
  154    HB3  PRO  26           3HB      PRO  26  22.174  -6.222  -0.737
  155    HG2  PRO  26           2HG      PRO  26  20.382  -7.165  -2.891
  156    HG3  PRO  26           3HG      PRO  26  20.891  -8.006  -1.440
  157    HD2  PRO  26           2HD      PRO  26  18.346  -6.766  -1.901
  158    HD3  PRO  26           3HD      PRO  26  18.897  -7.505  -0.411
  159    H    ALA  27           H        ALA  27  18.607  -4.579  -2.512
  160    HA   ALA  27           HA       ALA  27  19.716  -2.555  -4.235
  161    HB1  ALA  27           1HB      ALA  27  17.615  -2.744  -5.465
  162    HB2  ALA  27           2HB      ALA  27  18.315  -4.332  -5.149
  163    HB3  ALA  27           3HB      ALA  27  16.952  -3.762  -4.186
  164    H    TYR  28           H        TYR  28  18.302  -2.430  -1.256
  165    HA   TYR  28           HA       TYR  28  17.180   0.249  -1.754
  166    HB2  TYR  28           2HB      TYR  28  16.379  -1.891   0.206
  167    HB3  TYR  28           3HB      TYR  28  15.930  -0.207   0.450
  168    HD1  TYR  28           HD2      TYR  28  15.914  -2.638  -2.399
  169    HD2  TYR  28           HD1      TYR  28  13.784   0.311  -0.191
  170    HE1  TYR  28           HE2      TYR  28  13.969  -2.949  -3.871
  171    HE2  TYR  28           HE1      TYR  28  11.832   0.006  -1.656
  172    HH   TYR  28           HH       TYR  28  11.796  -1.123  -4.461
  173    H    CYS  29           H        CYS  29  19.083  -1.745   0.453
  174    HA   CYS  29           HA       CYS  29  19.907   0.623   1.952
  175    HB2  CYS  29           2HB      CYS  29  20.307  -2.334   2.395
  176    HB3  CYS  29           3HB      CYS  29  21.122  -1.114   3.366
  177    H    GLY  30           H        GLY  30  21.054  -1.571  -0.461
  178    HA2  GLY  30           2HA      GLY  30  22.908  -1.324  -1.835
  179    HA3  GLY  30           3HA      GLY  30  23.416   0.042  -0.853
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1   1.192   2.539  -1.772
    2    HA   ALA   1           HA       ALA   1   1.740  -0.136  -1.804
    3    HB1  ALA   1           1HB      ALA   1   3.048   0.231  -3.784
    4    HB2  ALA   1           2HB      ALA   1   1.690   1.357  -3.786
    5    HB3  ALA   1           3HB      ALA   1   3.303   1.923  -3.353
    6    H    ALA   2           H        ALA   2   3.693   2.407  -0.466
    7    HA   ALA   2           HA       ALA   2   5.328   0.582   0.962
    8    HB1  ALA   2           1HB      ALA   2   6.474   1.846  -1.501
    9    HB2  ALA   2           2HB      ALA   2   7.501   1.423  -0.130
   10    HB3  ALA   2           3HB      ALA   2   6.576   0.171  -0.958
   11    H    GLY   3           H        GLY   3   5.765   3.818  -0.494
   12    HA2  GLY   3           2HA      GLY   3   5.183   5.705   1.079
   13    HA3  GLY   3           3HA      GLY   3   6.193   4.854   2.239
   14    H    GLN   4           H        GLN   4   6.296   7.550   0.755
   15    HA   GLN   4           HA       GLN   4   8.852   7.325  -0.617
   16    HB2  GLN   4           2HB      GLN   4   6.920   9.600  -0.201
   17    HB3  GLN   4           3HB      GLN   4   8.508   9.837  -0.918
   18    HG2  GLN   4           2HG      GLN   4   7.911   8.918  -2.877
   19    HG3  GLN   4           3HG      GLN   4   6.899   7.692  -2.116
   20   HE21  GLN   4          1HE2      GLN   4   6.774  10.130  -4.192
   21   HE22  GLN   4          2HE2      GLN   4   5.171  10.713  -3.918
   22    H    CYS   5           H        CYS   5  10.766   8.198   0.084
   23    HA   CYS   5           HA       CYS   5  11.156   8.391   2.884
   24    HB2  CYS   5           2HB      CYS   5  13.065   9.340   0.745
   25    HB3  CYS   5           3HB      CYS   5  13.459   8.811   2.377
   26    H    TYR   6           H        TYR   6  11.850  10.194   4.120
   27    HA   TYR   6           HA       TYR   6  10.830  12.754   3.088
   28    HB2  TYR   6           2HB      TYR   6  10.940  11.559   5.836
   29    HB3  TYR   6           3HB      TYR   6  10.871  13.307   5.643
   30    HD1  TYR   6           HD1      TYR   6   8.875  14.384   4.754
   31    HD2  TYR   6           HD2      TYR   6   9.039  10.164   5.270
   32    HE1  TYR   6           HE1      TYR   6   6.432  14.265   4.505
   33    HE2  TYR   6           HE2      TYR   6   6.596  10.033   5.021
   34    HH   TYR   6           HH       TYR   6   4.579  12.500   5.358
   35    H    ARG   7           H        ARG   7  12.481  13.885   2.269
   36    HA   ARG   7           HA       ARG   7  14.542  14.841   2.026
   37    HB2  ARG   7           2HB      ARG   7  14.130  15.143   5.005
   38    HB3  ARG   7           3HB      ARG   7  15.373  15.983   4.087
   39    HG2  ARG   7           2HG      ARG   7  12.599  16.258   3.112
   40    HG3  ARG   7           3HG      ARG   7  12.990  17.047   4.641
   41    HD2  ARG   7           2HD      ARG   7  14.502  17.401   2.055
   42    HD3  ARG   7           3HD      ARG   7  13.311  18.530   2.700
   43    HE   ARG   7           HE       ARG   7  16.038  18.234   3.529
   44   HH11  ARG   7          1HH1      ARG   7  12.850  19.196   4.545
   45   HH12  ARG   7          2HH1      ARG   7  13.424  20.252   5.793
   46   HH21  ARG   7          1HH2      ARG   7  16.806  19.621   5.169
   47   HH22  ARG   7          2HH2      ARG   7  15.675  20.493   6.146
   48    H    GLY   8           H        GLY   8  14.592  11.990   2.310
   49    HA2  GLY   8           2HA      GLY   8  16.447  10.548   2.208
   50    HA3  GLY   8           3HA      GLY   8  17.374  11.709   3.146
   51    H    ARG   9           H        ARG   9  14.216  10.850   4.249
   52    HA   ARG   9           HA       ARG   9  15.414   9.098   6.293
   53    HB2  ARG   9           2HB      ARG   9  13.206  11.129   6.673
   54    HB3  ARG   9           3HB      ARG   9  13.770  10.004   7.901
   55    HG2  ARG   9           2HG      ARG   9  15.633  11.952   6.593
   56    HG3  ARG   9           3HG      ARG   9  14.636  12.406   7.977
   57    HD2  ARG   9           2HD      ARG   9  16.291  11.614   9.246
   58    HD3  ARG   9           3HD      ARG   9  15.745  10.010   8.758
   59    HE   ARG   9           HE       ARG   9  17.663   9.791   7.549
   60   HH11  ARG   9          1HH1      ARG   9  17.088  13.178   8.109
   61   HH12  ARG   9          2HH1      ARG   9  18.585  13.683   7.399
   62   HH21  ARG   9          1HH2      ARG   9  19.638  10.443   6.612
   63   HH22  ARG   9          2HH2      ARG   9  20.035  12.127   6.547
   64    H    CYS  10           H        CYS  10  13.847   7.615   7.325
   65    HA   CYS  10           HA       CYS  10  11.444   7.027   5.800
   66    HB2  CYS  10           2HB      CYS  10  13.842   5.217   5.905
   67    HB3  CYS  10           3HB      CYS  10  12.223   4.556   5.706
   68    H    SER  11           H        SER  11  10.313   5.050   6.797
   69    HA   SER  11           HA       SER  11  10.373   5.410   9.698
   70    HB2  SER  11           2HB      SER  11   8.311   3.870   8.121
   71    HB3  SER  11           3HB      SER  11   8.152   4.561   9.736
   72    HG   SER  11           HG       SER  11   7.120   5.864   8.187
   73    H    GLY  12           H        GLY  12  10.080   3.508  11.093
   74    HA2  GLY  12           2HA      GLY  12  10.889   1.513  11.895
   75    HA3  GLY  12           3HA      GLY  12  10.403   0.865  10.335
   76    H    GLY  13           H        GLY  13  12.850   3.350  10.727
   77    HA2  GLY  13           2HA      GLY  13  15.061   3.381  10.103
   78    HA3  GLY  13           3HA      GLY  13  15.149   1.829  10.921
   79    H    LEU  14           H        LEU  14  13.165   2.434   8.093
   80    HA   LEU  14           HA       LEU  14  14.371   0.243   6.701
   81    HB2  LEU  14           2HB      LEU  14  12.229   2.232   6.060
   82    HB3  LEU  14           3HB      LEU  14  12.869   1.174   4.804
   83    HG   LEU  14           HG       LEU  14  11.655   0.157   7.367
   84   HD11  LEU  14          1HD1      LEU  14  10.380   1.251   4.997
   85   HD12  LEU  14          2HD1      LEU  14   9.689   0.827   6.563
   86   HD13  LEU  14          3HD1      LEU  14   9.896  -0.413   5.326
   87   HD21  LEU  14          3HD2      LEU  14  11.800  -1.363   4.813
   88   HD22  LEU  14          1HD2      LEU  14  11.833  -1.942   6.479
   89   HD23  LEU  14          2HD2      LEU  14  13.267  -1.192   5.777
   90    H    CYS  15           H        CYS  15  14.806   0.696   4.217
   91    HA   CYS  15           HA       CYS  15  16.837   2.824   4.137
   92    HB2  CYS  15           2HB      CYS  15  16.635   0.180   2.701
   93    HB3  CYS  15           3HB      CYS  15  17.757   1.439   2.197
   94    H    CYS  16           H        CYS  16  17.041   4.123   2.282
   95    HA   CYS  16           HA       CYS  16  14.524   4.577   0.908
   96    HB2  CYS  16           2HB      CYS  16  16.116   6.374   1.911
   97    HB3  CYS  16           3HB      CYS  16  17.036   6.151   0.427
   98    H    SER  17           H        SER  17  14.072   3.912  -1.084
   99    HA   SER  17           HA       SER  17  16.050   2.434  -2.581
  100    HB2  SER  17           2HB      SER  17  14.273   1.667  -3.911
  101    HB3  SER  17           3HB      SER  17  13.537   1.869  -2.322
  102    HG   SER  17           HG       SER  17  12.245   3.278  -3.170
  103    H    LYS  18           H        LYS  18  16.133   2.805  -5.018
  104    HA   LYS  18           HA       LYS  18  17.143   5.418  -5.486
  105    HB2  LYS  18           2HB      LYS  18  16.651   3.035  -7.257
  106    HB3  LYS  18           3HB      LYS  18  17.233   4.560  -7.911
  107    HG2  LYS  18           2HG      LYS  18  19.141   4.418  -6.291
  108    HG3  LYS  18           3HG      LYS  18  18.597   2.784  -5.904
  109    HD2  LYS  18           2HD      LYS  18  18.683   2.519  -8.534
  110    HD3  LYS  18           3HD      LYS  18  19.845   3.839  -8.391
  111    HE2  LYS  18           2HE      LYS  18  20.755   2.233  -6.447
  112    HE3  LYS  18           3HE      LYS  18  20.042   1.022  -7.512
  113    HZ1  LYS  18           3HZ      LYS  18  21.828   1.169  -8.786
  114    HZ2  LYS  18           1HZ      LYS  18  22.486   2.372  -7.796
  115    HZ3  LYS  18           2HZ      LYS  18  21.493   2.797  -9.098
  116    H    TYR  19           H        TYR  19  14.020   4.214  -5.492
  117    HA   TYR  19           HA       TYR  19  13.069   6.155  -7.474
  118    HB2  TYR  19           2HB      TYR  19  11.921   3.672  -6.271
  119    HB3  TYR  19           3HB      TYR  19  10.820   4.910  -6.865
  120    HD1  TYR  19           HD2      TYR  19  10.730   5.453  -9.251
  121    HD2  TYR  19           HD1      TYR  19  13.260   2.360  -7.790
  122    HE1  TYR  19           HE2      TYR  19  10.985   4.588 -11.540
  123    HE2  TYR  19           HE1      TYR  19  13.524   1.488 -10.075
  124    HH   TYR  19           HH       TYR  19  11.556   2.452 -12.648
  125    H    GLY  20           H        GLY  20  13.855   6.272  -4.373
  126    HA2  GLY  20           2HA      GLY  20  13.375   7.930  -2.818
  127    HA3  GLY  20           3HA      GLY  20  12.035   8.449  -3.830
  128    H    TYR  21           H        TYR  21  11.921   5.136  -3.315
  129    HA   TYR  21           HA       TYR  21   9.850   5.505  -1.264
  130    HB2  TYR  21           2HB      TYR  21  10.267   3.144  -3.107
  131    HB3  TYR  21           3HB      TYR  21   8.898   3.408  -2.032
  132    HD1  TYR  21           HD2      TYR  21   8.033   6.077  -2.475
  133    HD2  TYR  21           HD1      TYR  21   9.610   3.322  -5.308
  134    HE1  TYR  21           HE2      TYR  21   6.842   7.255  -4.275
  135    HE2  TYR  21           HE1      TYR  21   8.424   4.493  -7.116
  136    HH   TYR  21           HH       TYR  21   6.194   6.044  -7.152
  137    H    CYS  22           H        CYS  22   9.938   4.464   0.659
  138    HA   CYS  22           HA       CYS  22  12.465   3.377   1.476
  139    HB2  CYS  22           2HB      CYS  22   9.886   3.392   3.049
  140    HB3  CYS  22           3HB      CYS  22  11.526   3.286   3.681
  141    H    GLY  23           H        GLY  23  12.786   1.281   2.427
  142    HA2  GLY  23           2HA      GLY  23  10.964  -0.814   2.457
  143    HA3  GLY  23           3HA      GLY  23  11.694  -0.818   0.858
  144    H    SER  24           H        SER  24  12.534  -2.919   1.398
  145    HA   SER  24           HA       SER  24  15.009  -2.729   2.974
  146    HB2  SER  24           2HB      SER  24  13.170  -3.939   4.219
  147    HB3  SER  24           3HB      SER  24  13.225  -5.170   2.957
  148    HG   SER  24           HG       SER  24  14.669  -5.155   5.074
  149    H    GLY  25           H        GLY  25  16.082  -5.169   2.558
  150    HA2  GLY  25           2HA      GLY  25  16.825  -6.693   0.926
  151    HA3  GLY  25           3HA      GLY  25  15.971  -5.765  -0.298
  152    HA   PRO  26           HA       PRO  26  20.448  -4.710  -0.353
  153    HB2  PRO  26           2HB      PRO  26  21.270  -6.026  -2.603
  154    HB3  PRO  26           3HB      PRO  26  21.491  -6.662  -0.985
  155    HG2  PRO  26           2HG      PRO  26  19.540  -7.482  -3.049
  156    HG3  PRO  26           3HG      PRO  26  20.062  -8.356  -1.622
  157    HD2  PRO  26           2HD      PRO  26  17.585  -6.951  -1.964
  158    HD3  PRO  26           3HD      PRO  26  18.157  -7.726  -0.500
  159    H    ALA  27           H        ALA  27  17.958  -4.781  -2.586
  160    HA   ALA  27           HA       ALA  27  19.114  -2.837  -4.369
  161    HB1  ALA  27           1HB      ALA  27  16.230  -3.688  -4.214
  162    HB2  ALA  27           2HB      ALA  27  17.070  -2.960  -5.584
  163    HB3  ALA  27           3HB      ALA  27  17.474  -4.598  -5.071
  164    H    TYR  28           H        TYR  28  17.861  -2.618  -1.323
  165    HA   TYR  28           HA       TYR  28  16.910   0.135  -1.771
  166    HB2  TYR  28           2HB      TYR  28  16.050  -1.946   0.227
  167    HB3  TYR  28           3HB      TYR  28  15.733  -0.235   0.489
  168    HD1  TYR  28           HD1      TYR  28  15.411  -2.659  -2.348
  169    HD2  TYR  28           HD2      TYR  28  13.607   0.441  -0.060
  170    HE1  TYR  28           HE1      TYR  28  13.382  -2.831  -3.727
  171    HE2  TYR  28           HE2      TYR  28  11.572   0.278  -1.433
  172    HH   TYR  28           HH       TYR  28  10.607  -0.681  -3.187
  173    H    CYS  29           H        CYS  29  18.767  -1.996   0.345
  174    HA   CYS  29           HA       CYS  29  19.827   0.304   1.803
  175    HB2  CYS  29           2HB      CYS  29  20.055  -2.676   2.227
  176    HB3  CYS  29           3HB      CYS  29  20.971  -1.506   3.171
  177    H    GLY  30           H        GLY  30  20.700  -1.961  -0.660
  178    HA2  GLY  30           2HA      GLY  30  22.503  -1.854  -2.116
  179    HA3  GLY  30           3HA      GLY  30  23.145  -0.517  -1.172
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1   2.682  -0.808  -4.573
    2    HA   ALA   1           HA       ALA   1   3.012   1.440  -2.967
    3    HB1  ALA   1           1HB      ALA   1   1.492  -1.107  -2.441
    4    HB2  ALA   1           2HB      ALA   1   1.369   0.342  -1.443
    5    HB3  ALA   1           3HB      ALA   1   0.870   0.391  -3.134
    6    H    ALA   2           H        ALA   2   4.112   1.876  -1.144
    7    HA   ALA   2           HA       ALA   2   5.000  -0.082   0.703
    8    HB1  ALA   2           1HB      ALA   2   6.559  -0.376  -1.319
    9    HB2  ALA   2           2HB      ALA   2   7.279   1.150  -0.805
   10    HB3  ALA   2           3HB      ALA   2   7.286  -0.239   0.282
   11    H    GLY   3           H        GLY   3   5.518   3.142  -0.657
   12    HA2  GLY   3           2HA      GLY   3   4.843   4.933   0.992
   13    HA3  GLY   3           3HA      GLY   3   5.969   4.142   2.085
   14    H    GLN   4           H        GLN   4   5.782   6.873   0.675
   15    HA   GLN   4           HA       GLN   4   8.287   6.900  -0.804
   16    HB2  GLN   4           2HB      GLN   4   6.093   8.884  -0.330
   17    HB3  GLN   4           3HB      GLN   4   7.667   9.442  -0.879
   18    HG2  GLN   4           2HG      GLN   4   7.461   7.807  -2.779
   19    HG3  GLN   4           3HG      GLN   4   5.788   7.563  -2.278
   20   HE21  GLN   4          1HE2      GLN   4   5.748   8.340  -4.654
   21   HE22  GLN   4          2HE2      GLN   4   5.495  10.035  -4.867
   22    H    CYS   5           H        CYS   5  10.157   7.869  -0.140
   23    HA   CYS   5           HA       CYS   5  10.625   8.058   2.649
   24    HB2  CYS   5           2HB      CYS   5  12.395   9.155   0.461
   25    HB3  CYS   5           3HB      CYS   5  12.878   8.638   2.073
   26    H    TYR   6           H        TYR   6  11.836  10.072   3.523
   27    HA   TYR   6           HA       TYR   6  10.470  12.524   2.647
   28    HB2  TYR   6           2HB      TYR   6   9.552  11.312   4.794
   29    HB3  TYR   6           3HB      TYR   6  10.951  12.053   5.564
   30    HD1  TYR   6           HD1      TYR   6   7.717  12.677   3.958
   31    HD2  TYR   6           HD2      TYR   6  11.081  14.458   5.859
   32    HE1  TYR   6           HE1      TYR   6   6.459  14.777   4.204
   33    HE2  TYR   6           HE2      TYR   6   9.833  16.562   6.111
   34    HH   TYR   6           HH       TYR   6   6.458  16.835   5.043
   35    H    ARG   7           H        ARG   7  12.127  13.653   1.820
   36    HA   ARG   7           HA       ARG   7  14.171  14.650   1.602
   37    HB2  ARG   7           2HB      ARG   7  12.960  15.828   3.583
   38    HB3  ARG   7           3HB      ARG   7  14.159  15.015   4.581
   39    HG2  ARG   7           2HG      ARG   7  15.772  16.102   2.732
   40    HG3  ARG   7           3HG      ARG   7  14.458  17.280   2.722
   41    HD2  ARG   7           2HD      ARG   7  14.972  18.053   4.769
   42    HD3  ARG   7           3HD      ARG   7  15.316  16.441   5.395
   43    HE   ARG   7           HE       ARG   7  17.348  17.321   3.611
   44   HH11  ARG   7          1HH1      ARG   7  16.154  17.676   6.861
   45   HH12  ARG   7          2HH1      ARG   7  17.697  18.107   7.521
   46   HH21  ARG   7          1HH2      ARG   7  19.386  17.887   4.467
   47   HH22  ARG   7          2HH2      ARG   7  19.535  18.228   6.157
   48    H    GLY   8           H        GLY   8  14.380  11.873   1.782
   49    HA2  GLY   8           2HA      GLY   8  16.153  10.384   1.866
   50    HA3  GLY   8           3HA      GLY   8  17.123  11.636   2.626
   51    H    ARG   9           H        ARG   9  14.026  10.775   3.944
   52    HA   ARG   9           HA       ARG   9  15.292   9.105   5.992
   53    HB2  ARG   9           2HB      ARG   9  13.526  11.488   6.582
   54    HB3  ARG   9           3HB      ARG   9  14.101  10.331   7.774
   55    HG2  ARG   9           2HG      ARG   9  16.404  11.196   6.494
   56    HG3  ARG   9           3HG      ARG   9  15.416  12.648   6.663
   57    HD2  ARG   9           2HD      ARG   9  15.447  12.567   8.957
   58    HD3  ARG   9           3HD      ARG   9  15.685  10.821   8.998
   59    HE   ARG   9           HE       ARG   9  17.966  11.992   7.884
   60   HH11  ARG   9          1HH1      ARG   9  16.278  11.849  10.926
   61   HH12  ARG   9          2HH1      ARG   9  17.709  12.071  11.878
   62   HH21  ARG   9          1HH2      ARG   9  19.856  12.284   9.127
   63   HH22  ARG   9          2HH2      ARG   9  19.743  12.319  10.854
   64    H    CYS  10           H        CYS  10  14.182   7.289   6.230
   65    HA   CYS  10           HA       CYS  10  11.337   7.269   5.474
   66    HB2  CYS  10           2HB      CYS  10  13.470   5.146   5.372
   67    HB3  CYS  10           3HB      CYS  10  11.759   4.732   5.317
   68    H    SER  11           H        SER  11  10.079   5.480   6.639
   69    HA   SER  11           HA       SER  11  10.533   5.837   9.505
   70    HB2  SER  11           2HB      SER  11   8.285   6.298   8.313
   71    HB3  SER  11           3HB      SER  11   8.105   4.544   8.279
   72    HG   SER  11           HG       SER  11   7.270   5.868  10.176
   73    H    GLY  12           H        GLY  12   9.852   3.907  10.897
   74    HA2  GLY  12           2HA      GLY  12  10.358   1.792  11.631
   75    HA3  GLY  12           3HA      GLY  12   9.955   1.272  10.001
   76    H    GLY  13           H        GLY  13  12.551   3.524  10.579
   77    HA2  GLY  13           2HA      GLY  13  14.805   3.368  10.170
   78    HA3  GLY  13           3HA      GLY  13  14.696   1.793  10.942
   79    H    LEU  14           H        LEU  14  12.847   2.410   8.079
   80    HA   LEU  14           HA       LEU  14  14.159   0.277   6.692
   81    HB2  LEU  14           2HB      LEU  14  11.947   2.182   6.023
   82    HB3  LEU  14           3HB      LEU  14  12.638   1.135   4.785
   83    HG   LEU  14           HG       LEU  14  11.375   0.148   7.341
   84   HD11  LEU  14          1HD1      LEU  14   9.783   1.315   5.819
   85   HD12  LEU  14          2HD1      LEU  14   9.434  -0.396   6.061
   86   HD13  LEU  14          3HD1      LEU  14  10.201   0.144   4.567
   87   HD21  LEU  14          3HD2      LEU  14  13.121  -1.124   5.636
   88   HD22  LEU  14          1HD2      LEU  14  11.539  -1.638   5.048
   89   HD23  LEU  14          2HD2      LEU  14  11.985  -1.911   6.733
   90    H    CYS  15           H        CYS  15  14.613   0.751   4.221
   91    HA   CYS  15           HA       CYS  15  16.509   3.002   4.156
   92    HB2  CYS  15           2HB      CYS  15  16.548   0.323   2.766
   93    HB3  CYS  15           3HB      CYS  15  17.612   1.648   2.305
   94    H    CYS  16           H        CYS  16  16.664   4.278   2.288
   95    HA   CYS  16           HA       CYS  16  14.173   4.508   0.823
   96    HB2  CYS  16           2HB      CYS  16  15.576   6.447   1.807
   97    HB3  CYS  16           3HB      CYS  16  16.601   6.230   0.393
   98    H    SER  17           H        SER  17  13.823   3.762  -1.161
   99    HA   SER  17           HA       SER  17  15.933   2.372  -2.556
  100    HB2  SER  17           2HB      SER  17  14.249   1.457  -3.914
  101    HB3  SER  17           3HB      SER  17  13.456   1.653  -2.352
  102    HG   SER  17           HG       SER  17  12.098   2.941  -3.282
  103    H    LYS  18           H        LYS  18  16.069   2.677  -4.999
  104    HA   LYS  18           HA       LYS  18  16.921   5.338  -5.517
  105    HB2  LYS  18           2HB      LYS  18  17.755   3.085  -6.524
  106    HB3  LYS  18           3HB      LYS  18  16.447   3.309  -7.679
  107    HG2  LYS  18           2HG      LYS  18  17.392   5.331  -8.487
  108    HG3  LYS  18           3HG      LYS  18  18.572   5.375  -7.175
  109    HD2  LYS  18           2HD      LYS  18  19.196   2.996  -8.206
  110    HD3  LYS  18           3HD      LYS  18  18.543   3.755  -9.659
  111    HE2  LYS  18           2HE      LYS  18  20.404   5.412  -8.092
  112    HE3  LYS  18           3HE      LYS  18  21.114   3.981  -8.837
  113    HZ1  LYS  18           3HZ      LYS  18  20.264   6.420 -10.053
  114    HZ2  LYS  18           1HZ      LYS  18  19.562   5.074 -10.801
  115    HZ3  LYS  18           2HZ      LYS  18  21.245   5.191 -10.678
  116    H    TYR  19           H        TYR  19  13.886   3.932  -5.577
  117    HA   TYR  19           HA       TYR  19  12.874   5.734  -7.656
  118    HB2  TYR  19           2HB      TYR  19  11.844   3.238  -6.374
  119    HB3  TYR  19           3HB      TYR  19  10.688   4.379  -7.051
  120    HD1  TYR  19           HD1      TYR  19  11.682   5.303  -9.492
  121    HD2  TYR  19           HD2      TYR  19  12.251   1.455  -7.768
  122    HE1  TYR  19           HE1      TYR  19  12.058   4.361 -11.733
  123    HE2  TYR  19           HE2      TYR  19  12.630   0.503 -10.003
  124    HH   TYR  19           HH       TYR  19  13.163   2.421 -12.752
  125    H    GLY  20           H        GLY  20  13.523   5.948  -4.498
  126    HA2  GLY  20           2HA      GLY  20  12.916   7.668  -3.047
  127    HA3  GLY  20           3HA      GLY  20  11.570   8.055  -4.108
  128    H    TYR  21           H        TYR  21  11.647   4.766  -3.474
  129    HA   TYR  21           HA       TYR  21   9.523   5.078  -1.467
  130    HB2  TYR  21           2HB      TYR  21  10.110   2.787  -3.352
  131    HB3  TYR  21           3HB      TYR  21   8.812   2.803  -2.163
  132    HD1  TYR  21           HD1      TYR  21  10.082   4.612  -5.157
  133    HD2  TYR  21           HD2      TYR  21   6.723   3.699  -2.710
  134    HE1  TYR  21           HE1      TYR  21   8.601   5.689  -6.798
  135    HE2  TYR  21           HE2      TYR  21   5.233   4.772  -4.346
  136    HH   TYR  21           HH       TYR  21   5.802   5.282  -7.297
  137    H    CYS  22           H        CYS  22   9.636   4.094   0.486
  138    HA   CYS  22           HA       CYS  22  12.207   3.182   1.373
  139    HB2  CYS  22           2HB      CYS  22   9.619   3.054   2.920
  140    HB3  CYS  22           3HB      CYS  22  11.258   3.125   3.561
  141    H    GLY  23           H        GLY  23  12.646   1.136   2.370
  142    HA2  GLY  23           2HA      GLY  23  10.945  -1.064   2.428
  143    HA3  GLY  23           3HA      GLY  23  11.714  -1.067   0.848
  144    H    SER  24           H        SER  24  12.663  -3.098   1.465
  145    HA   SER  24           HA       SER  24  15.077  -2.720   3.102
  146    HB2  SER  24           2HB      SER  24  13.282  -4.021   4.317
  147    HB3  SER  24           3HB      SER  24  13.450  -5.268   3.082
  148    HG   SER  24           HG       SER  24  15.043  -4.713   5.222
  149    H    GLY  25           H        GLY  25  16.318  -5.089   2.767
  150    HA2  GLY  25           2HA      GLY  25  17.207  -6.591   1.189
  151    HA3  GLY  25           3HA      GLY  25  16.331  -5.744  -0.078
  152    HA   PRO  26           HA       PRO  26  20.730  -4.399  -0.024
  153    HB2  PRO  26           2HB      PRO  26  21.708  -5.706  -2.216
  154    HB3  PRO  26           3HB      PRO  26  21.919  -6.291  -0.578
  155    HG2  PRO  26           2HG      PRO  26  20.092  -7.283  -2.679
  156    HG3  PRO  26           3HG      PRO  26  20.624  -8.090  -1.217
  157    HD2  PRO  26           2HD      PRO  26  18.072  -6.860  -1.666
  158    HD3  PRO  26           3HD      PRO  26  18.648  -7.563  -0.168
  159    H    ALA  27           H        ALA  27  18.323  -4.685  -2.330
  160    HA   ALA  27           HA       ALA  27  19.404  -2.707  -4.122
  161    HB1  ALA  27           1HB      ALA  27  16.623  -3.868  -3.999
  162    HB2  ALA  27           2HB      ALA  27  17.310  -2.935  -5.329
  163    HB3  ALA  27           3HB      ALA  27  17.966  -4.523  -4.935
  164    H    TYR  28           H        TYR  28  18.044  -2.506  -1.121
  165    HA   TYR  28           HA       TYR  28  16.925   0.167  -1.663
  166    HB2  TYR  28           2HB      TYR  28  16.145  -1.923   0.359
  167    HB3  TYR  28           3HB      TYR  28  15.705  -0.231   0.568
  168    HD1  TYR  28           HD2      TYR  28  15.637  -2.738  -2.214
  169    HD2  TYR  28           HD1      TYR  28  13.554   0.282  -0.059
  170    HE1  TYR  28           HE2      TYR  28  13.669  -3.079  -3.649
  171    HE2  TYR  28           HE1      TYR  28  11.580  -0.052  -1.488
  172    HH   TYR  28           HH       TYR  28  11.031  -0.923  -3.695
  173    H    CYS  29           H        CYS  29  18.852  -1.787   0.560
  174    HA   CYS  29           HA       CYS  29  19.711   0.611   1.990
  175    HB2  CYS  29           2HB      CYS  29  20.120  -2.336   2.497
  176    HB3  CYS  29           3HB      CYS  29  20.928  -1.087   3.437
  177    H    GLY  30           H        GLY  30  20.807  -1.642  -0.390
  178    HA2  GLY  30           2HA      GLY  30  22.641  -1.433  -1.798
  179    HA3  GLY  30           3HA      GLY  30  23.176  -0.055  -0.848
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1   2.057   2.304  -0.729
    2    HA   ALA   1           HA       ALA   1   1.121   0.151   0.814
    3    HB1  ALA   1           1HB      ALA   1   1.907  -0.483  -1.972
    4    HB2  ALA   1           2HB      ALA   1   2.454  -1.580  -0.704
    5    HB3  ALA   1           3HB      ALA   1   0.732  -1.268  -0.917
    6    H    ALA   2           H        ALA   2   3.958   0.812  -1.254
    7    HA   ALA   2           HA       ALA   2   5.833  -0.028   0.702
    8    HB1  ALA   2           1HB      ALA   2   6.391  -0.076  -1.650
    9    HB2  ALA   2           2HB      ALA   2   6.215   1.676  -1.756
   10    HB3  ALA   2           3HB      ALA   2   7.516   0.977  -0.791
   11    H    GLY   3           H        GLY   3   5.500   3.253  -0.663
   12    HA2  GLY   3           2HA      GLY   3   5.010   5.133   0.827
   13    HA3  GLY   3           3HA      GLY   3   5.954   4.309   2.058
   14    H    GLN   4           H        GLN   4   6.119   6.986   0.542
   15    HA   GLN   4           HA       GLN   4   8.761   6.772  -0.659
   16    HB2  GLN   4           2HB      GLN   4   7.019   8.163  -1.731
   17    HB3  GLN   4           3HB      GLN   4   6.984   9.191  -0.305
   18    HG2  GLN   4           2HG      GLN   4   9.436   9.628  -0.718
   19    HG3  GLN   4           3HG      GLN   4   9.216   8.843  -2.280
   20   HE21  GLN   4          1HE2      GLN   4   8.967  11.716  -0.538
   21   HE22  GLN   4          2HE2      GLN   4   8.162  12.666  -1.736
   22    H    CYS   5           H        CYS   5  10.609   7.739   0.128
   23    HA   CYS   5           HA       CYS   5  10.838   7.944   2.945
   24    HB2  CYS   5           2HB      CYS   5  12.826   8.966   0.914
   25    HB3  CYS   5           3HB      CYS   5  13.149   8.446   2.565
   26    H    TYR   6           H        TYR   6  12.143   9.966   3.813
   27    HA   TYR   6           HA       TYR   6  10.832  12.420   2.862
   28    HB2  TYR   6           2HB      TYR   6   9.717  11.428   4.917
   29    HB3  TYR   6           3HB      TYR   6  11.206  11.777   5.788
   30    HD1  TYR   6           HD1      TYR   6   8.620  13.448   3.680
   31    HD2  TYR   6           HD2      TYR   6  11.462  13.839   6.822
   32    HE1  TYR   6           HE1      TYR   6   7.827  15.737   4.104
   33    HE2  TYR   6           HE2      TYR   6  10.676  16.129   7.255
   34    HH   TYR   6           HH       TYR   6   7.882  17.322   6.325
   35    H    ARG   7           H        ARG   7  12.657  13.248   1.917
   36    HA   ARG   7           HA       ARG   7  14.751  14.140   1.721
   37    HB2  ARG   7           2HB      ARG   7  13.433  15.673   3.347
   38    HB3  ARG   7           3HB      ARG   7  14.482  14.997   4.586
   39    HG2  ARG   7           2HG      ARG   7  16.419  15.889   3.565
   40    HG3  ARG   7           3HG      ARG   7  15.534  16.306   2.096
   41    HD2  ARG   7           2HD      ARG   7  14.271  17.984   3.280
   42    HD3  ARG   7           3HD      ARG   7  15.004  17.504   4.810
   43    HE   ARG   7           HE       ARG   7  16.993  18.261   2.940
   44   HH11  ARG   7          1HH1      ARG   7  14.546  19.576   5.038
   45   HH12  ARG   7          2HH1      ARG   7  15.355  21.094   5.247
   46   HH21  ARG   7          1HH2      ARG   7  18.068  20.255   3.207
   47   HH22  ARG   7          2HH2      ARG   7  17.358  21.479   4.204
   48    H    GLY   8           H        GLY   8  14.722  11.397   2.533
   49    HA2  GLY   8           2HA      GLY   8  16.613  10.011   2.868
   50    HA3  GLY   8           3HA      GLY   8  17.367  11.304   3.789
   51    H    ARG   9           H        ARG   9  14.088  10.650   4.531
   52    HA   ARG   9           HA       ARG   9  14.905   9.059   6.872
   53    HB2  ARG   9           2HB      ARG   9  12.869  11.294   6.788
   54    HB3  ARG   9           3HB      ARG   9  13.156  10.248   8.172
   55    HG2  ARG   9           2HG      ARG   9  15.261  11.164   8.582
   56    HG3  ARG   9           3HG      ARG   9  15.365  11.873   6.969
   57    HD2  ARG   9           2HD      ARG   9  14.935  13.583   8.653
   58    HD3  ARG   9           3HD      ARG   9  13.580  13.438   7.534
   59    HE   ARG   9           HE       ARG   9  13.118  11.802   9.774
   60   HH11  ARG   9          1HH1      ARG   9  13.262  15.162   8.876
   61   HH12  ARG   9          2HH1      ARG   9  12.144  15.672  10.098
   62   HH21  ARG   9          1HH2      ARG   9  11.644  12.460  11.387
   63   HH22  ARG   9          2HH2      ARG   9  11.225  14.134  11.526
   64    H    CYS  10           H        CYS  10  14.096   7.087   6.602
   65    HA   CYS  10           HA       CYS  10  11.456   6.787   5.349
   66    HB2  CYS  10           2HB      CYS  10  13.861   5.022   5.561
   67    HB3  CYS  10           3HB      CYS  10  12.274   4.278   5.385
   68    H    SER  11           H        SER  11  10.434   4.564   6.220
   69    HA   SER  11           HA       SER  11   9.600   5.138   8.872
   70    HB2  SER  11           2HB      SER  11   8.524   2.770   8.599
   71    HB3  SER  11           3HB      SER  11   7.942   4.105   7.605
   72    HG   SER  11           HG       SER  11   8.523   2.997   5.931
   73    H    GLY  12           H        GLY  12  10.289   4.385  10.786
   74    HA2  GLY  12           2HA      GLY  12  11.695   3.394  12.312
   75    HA3  GLY  12           3HA      GLY  12  11.432   1.939  11.361
   76    H    GLY  13           H        GLY  13  13.146   1.048  10.405
   77    HA2  GLY  13           2HA      GLY  13  15.521   2.752   9.979
   78    HA3  GLY  13           3HA      GLY  13  15.650   1.148  10.684
   79    H    LEU  14           H        LEU  14  13.491   1.991   8.044
   80    HA   LEU  14           HA       LEU  14  14.531  -0.131   6.431
   81    HB2  LEU  14           2HB      LEU  14  12.438   1.976   6.038
   82    HB3  LEU  14           3HB      LEU  14  12.944   0.942   4.704
   83    HG   LEU  14           HG       LEU  14  11.826  -0.099   7.303
   84   HD11  LEU  14          1HD1      LEU  14  10.098  -0.420   5.034
   85   HD12  LEU  14          2HD1      LEU  14  10.450   1.287   5.299
   86   HD13  LEU  14          3HD1      LEU  14   9.765   0.316   6.601
   87   HD21  LEU  14          3HD2      LEU  14  11.747  -1.605   4.753
   88   HD22  LEU  14          1HD2      LEU  14  11.951  -2.181   6.407
   89   HD23  LEU  14          2HD2      LEU  14  13.311  -1.452   5.554
   90    H    CYS  15           H        CYS  15  14.856   0.455   3.972
   91    HA   CYS  15           HA       CYS  15  16.871   2.603   3.883
   92    HB2  CYS  15           2HB      CYS  15  16.716  -0.039   2.435
   93    HB3  CYS  15           3HB      CYS  15  17.794   1.254   1.921
   94    H    CYS  16           H        CYS  16  16.997   3.917   2.033
   95    HA   CYS  16           HA       CYS  16  14.441   4.292   0.705
   96    HB2  CYS  16           2HB      CYS  16  16.096   6.108   1.697
   97    HB3  CYS  16           3HB      CYS  16  16.826   5.985   0.099
   98    H    SER  17           H        SER  17  13.985   3.644  -1.293
   99    HA   SER  17           HA       SER  17  15.988   2.242  -2.828
  100    HB2  SER  17           2HB      SER  17  14.219   1.440  -4.149
  101    HB3  SER  17           3HB      SER  17  13.496   1.599  -2.548
  102    HG   SER  17           HG       SER  17  12.155   2.984  -3.359
  103    H    LYS  18           H        LYS  18  16.032   2.642  -5.261
  104    HA   LYS  18           HA       LYS  18  16.960   5.289  -5.711
  105    HB2  LYS  18           2HB      LYS  18  16.415   3.033  -7.648
  106    HB3  LYS  18           3HB      LYS  18  17.235   4.531  -8.068
  107    HG2  LYS  18           2HG      LYS  18  18.273   2.843  -5.835
  108    HG3  LYS  18           3HG      LYS  18  18.618   2.410  -7.511
  109    HD2  LYS  18           2HD      LYS  18  19.070   5.229  -6.698
  110    HD3  LYS  18           3HD      LYS  18  20.203   4.015  -6.098
  111    HE2  LYS  18           2HE      LYS  18  19.521   3.892  -8.973
  112    HE3  LYS  18           3HE      LYS  18  20.492   5.268  -8.452
  113    HZ1  LYS  18           3HZ      LYS  18  22.207   3.881  -8.669
  114    HZ2  LYS  18           1HZ      LYS  18  21.227   2.502  -8.709
  115    HZ3  LYS  18           2HZ      LYS  18  21.686   3.171  -7.225
  116    H    TYR  19           H        TYR  19  13.873   3.993  -5.697
  117    HA   TYR  19           HA       TYR  19  12.844   5.925  -7.648
  118    HB2  TYR  19           2HB      TYR  19  11.806   3.387  -6.475
  119    HB3  TYR  19           3HB      TYR  19  10.638   4.601  -6.984
  120    HD1  TYR  19           HD1      TYR  19  11.144   5.600  -9.415
  121    HD2  TYR  19           HD2      TYR  19  12.416   1.788  -8.018
  122    HE1  TYR  19           HE1      TYR  19  11.341   4.821 -11.740
  123    HE2  TYR  19           HE2      TYR  19  12.618   0.999 -10.339
  124    HH   TYR  19           HH       TYR  19  11.390   2.794 -13.004
  125    H    GLY  20           H        GLY  20  13.658   6.025  -4.548
  126    HA2  GLY  20           2HA      GLY  20  13.155   7.664  -2.979
  127    HA3  GLY  20           3HA      GLY  20  11.786   8.150  -3.967
  128    H    TYR  21           H        TYR  21  11.772   4.832  -3.482
  129    HA   TYR  21           HA       TYR  21   9.724   5.123  -1.396
  130    HB2  TYR  21           2HB      TYR  21  10.182   2.791  -3.266
  131    HB3  TYR  21           3HB      TYR  21   8.823   3.005  -2.168
  132    HD1  TYR  21           HD2      TYR  21   7.869   5.648  -2.572
  133    HD2  TYR  21           HD1      TYR  21   9.490   2.972  -5.456
  134    HE1  TYR  21           HE2      TYR  21   6.616   6.806  -4.343
  135    HE2  TYR  21           HE1      TYR  21   8.243   4.125  -7.235
  136    HH   TYR  21           HH       TYR  21   7.198   6.237  -7.679
  137    H    CYS  22           H        CYS  22   9.876   4.075   0.519
  138    HA   CYS  22           HA       CYS  22  12.444   3.051   1.284
  139    HB2  CYS  22           2HB      CYS  22   9.894   2.982   2.903
  140    HB3  CYS  22           3HB      CYS  22  11.548   2.925   3.504
  141    H    GLY  23           H        GLY  23  12.832   0.959   2.224
  142    HA2  GLY  23           2HA      GLY  23  11.068  -1.184   2.265
  143    HA3  GLY  23           3HA      GLY  23  11.775  -1.160   0.656
  144    H    SER  24           H        SER  24  12.679  -3.240   1.168
  145    HA   SER  24           HA       SER  24  15.169  -2.994   2.713
  146    HB2  SER  24           2HB      SER  24  13.380  -4.260   3.974
  147    HB3  SER  24           3HB      SER  24  13.451  -5.482   2.704
  148    HG   SER  24           HG       SER  24  15.086  -6.273   3.737
  149    H    GLY  25           H        GLY  25  16.300  -5.403   2.266
  150    HA2  GLY  25           2HA      GLY  25  17.065  -6.894   0.616
  151    HA3  GLY  25           3HA      GLY  25  16.165  -5.987  -0.590
  152    HA   PRO  26           HA       PRO  26  20.606  -4.798  -0.713
  153    HB2  PRO  26           2HB      PRO  26  21.430  -6.078  -2.982
  154    HB3  PRO  26           3HB      PRO  26  21.697  -6.716  -1.371
  155    HG2  PRO  26           2HG      PRO  26  19.737  -7.584  -3.407
  156    HG3  PRO  26           3HG      PRO  26  20.308  -8.448  -1.994
  157    HD2  PRO  26           2HD      PRO  26  17.785  -7.116  -2.288
  158    HD3  PRO  26           3HD      PRO  26  18.403  -7.880  -0.837
  159    H    ALA  27           H        ALA  27  18.082  -4.931  -2.902
  160    HA   ALA  27           HA       ALA  27  19.149  -2.949  -4.697
  161    HB1  ALA  27           1HB      ALA  27  16.249  -3.653  -4.583
  162    HB2  ALA  27           2HB      ALA  27  17.257  -3.267  -5.978
  163    HB3  ALA  27           3HB      ALA  27  17.417  -4.831  -5.179
  164    H    TYR  28           H        TYR  28  17.946  -2.777  -1.627
  165    HA   TYR  28           HA       TYR  28  16.918  -0.046  -2.045
  166    HB2  TYR  28           2HB      TYR  28  16.140  -2.158  -0.045
  167    HB3  TYR  28           3HB      TYR  28  15.783  -0.456   0.228
  168    HD1  TYR  28           HD2      TYR  28  15.480  -2.882  -2.609
  169    HD2  TYR  28           HD1      TYR  28  13.633   0.169  -0.289
  170    HE1  TYR  28           HE2      TYR  28  13.437  -3.100  -3.960
  171    HE2  TYR  28           HE1      TYR  28  11.584  -0.041  -1.633
  172    HH   TYR  28           HH       TYR  28  11.450  -2.140  -4.462
  173    H    CYS  29           H        CYS  29  18.862  -2.142   0.026
  174    HA   CYS  29           HA       CYS  29  19.884   0.173   1.486
  175    HB2  CYS  29           2HB      CYS  29  20.193  -2.803   1.882
  176    HB3  CYS  29           3HB      CYS  29  21.100  -1.619   2.818
  177    H    GLY  30           H        GLY  30  20.777  -2.045  -1.011
  178    HA2  GLY  30           2HA      GLY  30  22.550  -1.866  -2.497
  179    HA3  GLY  30           3HA      GLY  30  23.180  -0.535  -1.538
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1   3.095  -0.876  -3.680
    2    HA   ALA   1           HA       ALA   1   1.878   1.118  -2.101
    3    HB1  ALA   1           1HB      ALA   1   1.534  -1.604  -0.886
    4    HB2  ALA   1           2HB      ALA   1   0.832  -0.067  -0.377
    5    HB3  ALA   1           3HB      ALA   1   0.265  -0.851  -1.852
    6    H    ALA   2           H        ALA   2   3.505   1.983  -1.004
    7    HA   ALA   2           HA       ALA   2   5.351   0.396   0.509
    8    HB1  ALA   2           1HB      ALA   2   6.150   1.499  -2.127
    9    HB2  ALA   2           2HB      ALA   2   7.314   1.602  -0.805
   10    HB3  ALA   2           3HB      ALA   2   6.681   0.033  -1.302
   11    H    GLY   3           H        GLY   3   5.579   3.572  -1.106
   12    HA2  GLY   3           2HA      GLY   3   4.827   5.513   0.317
   13    HA3  GLY   3           3HA      GLY   3   5.806   4.782   1.580
   14    H    GLN   4           H        GLN   4   5.869   7.390  -0.057
   15    HA   GLN   4           HA       GLN   4   8.508   7.214  -1.269
   16    HB2  GLN   4           2HB      GLN   4   6.580   9.531  -1.031
   17    HB3  GLN   4           3HB      GLN   4   8.110   9.581  -1.897
   18    HG2  GLN   4           2HG      GLN   4   7.305   8.443  -3.663
   19    HG3  GLN   4           3HG      GLN   4   6.276   7.413  -2.668
   20   HE21  GLN   4          1HE2      GLN   4   4.265   7.628  -3.330
   21   HE22  GLN   4          2HE2      GLN   4   3.465   9.117  -3.688
   22    H    CYS   5           H        CYS   5  10.332   8.241  -0.526
   23    HA   CYS   5           HA       CYS   5  10.557   8.603   2.276
   24    HB2  CYS   5           2HB      CYS   5  12.524   9.545   0.187
   25    HB3  CYS   5           3HB      CYS   5  12.858   9.132   1.865
   26    H    TYR   6           H        TYR   6  11.068  10.503   3.447
   27    HA   TYR   6           HA       TYR   6   9.980  12.945   2.217
   28    HB2  TYR   6           2HB      TYR   6   9.724  13.667   4.662
   29    HB3  TYR   6           3HB      TYR   6   8.642  12.406   4.080
   30    HD1  TYR   6           HD2      TYR   6   8.894  10.101   4.842
   31    HD2  TYR   6           HD1      TYR   6  11.438  13.184   6.301
   32    HE1  TYR   6           HE2      TYR   6   9.613   8.631   6.678
   33    HE2  TYR   6           HE1      TYR   6  12.166  11.722   8.140
   34    HH   TYR   6           HH       TYR   6  10.665   9.255   9.232
   35    H    ARG   7           H        ARG   7  11.374  14.494   1.734
   36    HA   ARG   7           HA       ARG   7  13.334  15.655   1.570
   37    HB2  ARG   7           2HB      ARG   7  12.259  16.347   3.821
   38    HB3  ARG   7           3HB      ARG   7  13.543  15.395   4.556
   39    HG2  ARG   7           2HG      ARG   7  14.796  17.048   2.674
   40    HG3  ARG   7           3HG      ARG   7  13.623  18.062   3.518
   41    HD2  ARG   7           2HD      ARG   7  14.567  17.089   5.669
   42    HD3  ARG   7           3HD      ARG   7  15.884  16.458   4.682
   43    HE   ARG   7           HE       ARG   7  15.836  19.081   4.035
   44   HH11  ARG   7          1HH1      ARG   7  15.949  17.370   7.065
   45   HH12  ARG   7          2HH1      ARG   7  16.838  18.612   7.883
   46   HH21  ARG   7          1HH2      ARG   7  17.007  20.723   5.101
   47   HH22  ARG   7          2HH2      ARG   7  17.439  20.519   6.765
   48    H    GLY   8           H        GLY   8  13.606  12.802   1.332
   49    HA2  GLY   8           2HA      GLY   8  15.388  11.371   1.000
   50    HA3  GLY   8           3HA      GLY   8  16.450  12.616   1.640
   51    H    ARG   9           H        ARG   9  13.674  11.272   3.330
   52    HA   ARG   9           HA       ARG   9  15.406   9.646   5.020
   53    HB2  ARG   9           2HB      ARG   9  15.402  11.846   6.103
   54    HB3  ARG   9           3HB      ARG   9  13.644  11.845   6.115
   55    HG2  ARG   9           2HG      ARG   9  14.412  11.270   8.297
   56    HG3  ARG   9           3HG      ARG   9  13.714   9.826   7.562
   57    HD2  ARG   9           2HD      ARG   9  16.449   9.866   6.869
   58    HD3  ARG   9           3HD      ARG   9  16.351  10.235   8.590
   59    HE   ARG   9           HE       ARG   9  14.700   8.027   7.966
   60   HH11  ARG   9          1HH1      ARG   9  18.044   8.922   8.335
   61   HH12  ARG   9          2HH1      ARG   9  18.555   7.331   8.792
   62   HH21  ARG   9          1HH2      ARG   9  15.360   5.928   8.566
   63   HH22  ARG   9          2HH2      ARG   9  17.027   5.628   8.922
   64    H    CYS  10           H        CYS  10  14.350   7.973   6.074
   65    HA   CYS  10           HA       CYS  10  11.461   7.720   5.589
   66    HB2  CYS  10           2HB      CYS  10  13.588   5.645   5.044
   67    HB3  CYS  10           3HB      CYS  10  11.870   5.269   5.137
   68    H    SER  11           H        SER  11  10.296   6.883   7.240
   69    HA   SER  11           HA       SER  11  11.573   6.651   9.797
   70    HB2  SER  11           2HB      SER  11   9.219   7.583   9.278
   71    HB3  SER  11           3HB      SER  11   8.712   5.895   9.236
   72    HG   SER  11           HG       SER  11   8.619   6.026  11.321
   73    H    GLY  12           H        GLY  12  10.354   4.693  11.160
   74    HA2  GLY  12           2HA      GLY  12  10.535   2.461  11.664
   75    HA3  GLY  12           3HA      GLY  12  10.090   2.184   9.986
   76    H    GLY  13           H        GLY  13  12.966   3.984  10.683
   77    HA2  GLY  13           2HA      GLY  13  15.175   3.539  10.247
   78    HA3  GLY  13           3HA      GLY  13  14.853   1.957  10.941
   79    H    LEU  14           H        LEU  14  13.089   2.958   8.135
   80    HA   LEU  14           HA       LEU  14  14.164   0.759   6.625
   81    HB2  LEU  14           2HB      LEU  14  12.058   2.828   6.154
   82    HB3  LEU  14           3HB      LEU  14  12.647   1.846   4.815
   83    HG   LEU  14           HG       LEU  14  11.475   0.678   7.332
   84   HD11  LEU  14          1HD1      LEU  14  10.170   1.683   4.851
   85   HD12  LEU  14          2HD1      LEU  14   9.622   1.760   6.525
   86   HD13  LEU  14          3HD1      LEU  14   9.530   0.239   5.636
   87   HD21  LEU  14          3HD2      LEU  14  11.629  -0.610   4.635
   88   HD22  LEU  14          1HD2      LEU  14  11.485  -1.359   6.225
   89   HD23  LEU  14          2HD2      LEU  14  13.015  -0.639   5.726
   90    H    CYS  15           H        CYS  15  14.538   1.336   4.150
   91    HA   CYS  15           HA       CYS  15  16.516   3.520   4.083
   92    HB2  CYS  15           2HB      CYS  15  16.575   0.798   2.783
   93    HB3  CYS  15           3HB      CYS  15  17.636   2.110   2.280
   94    H    CYS  16           H        CYS  16  16.738   4.690   2.130
   95    HA   CYS  16           HA       CYS  16  14.249   4.901   0.649
   96    HB2  CYS  16           2HB      CYS  16  15.718   6.850   1.580
   97    HB3  CYS  16           3HB      CYS  16  16.672   6.591   0.122
   98    H    SER  17           H        SER  17  13.911   4.089  -1.312
   99    HA   SER  17           HA       SER  17  16.022   2.628  -2.633
  100    HB2  SER  17           2HB      SER  17  14.343   1.678  -3.972
  101    HB3  SER  17           3HB      SER  17  13.535   1.942  -2.427
  102    HG   SER  17           HG       SER  17  12.205   3.219  -3.413
  103    H    LYS  18           H        LYS  18  16.181   2.842  -5.085
  104    HA   LYS  18           HA       LYS  18  17.070   5.471  -5.692
  105    HB2  LYS  18           2HB      LYS  18  16.793   2.938  -7.288
  106    HB3  LYS  18           3HB      LYS  18  17.269   4.445  -8.060
  107    HG2  LYS  18           2HG      LYS  18  19.005   4.423  -6.018
  108    HG3  LYS  18           3HG      LYS  18  18.776   2.687  -6.236
  109    HD2  LYS  18           2HD      LYS  18  19.319   4.453  -8.593
  110    HD3  LYS  18           3HD      LYS  18  20.645   3.900  -7.567
  111    HE2  LYS  18           2HE      LYS  18  18.722   1.839  -8.445
  112    HE3  LYS  18           3HE      LYS  18  19.741   2.537  -9.703
  113    HZ1  LYS  18           3HZ      LYS  18  20.419   0.588  -7.823
  114    HZ2  LYS  18           1HZ      LYS  18  21.337   1.965  -7.471
  115    HZ3  LYS  18           2HZ      LYS  18  21.404   1.275  -9.014
  116    H    TYR  19           H        TYR  19  14.017   4.098  -5.729
  117    HA   TYR  19           HA       TYR  19  13.044   5.852  -7.868
  118    HB2  TYR  19           2HB      TYR  19  11.982   3.392  -6.544
  119    HB3  TYR  19           3HB      TYR  19  10.841   4.527  -7.258
  120    HD1  TYR  19           HD1      TYR  19  13.560   2.159  -7.948
  121    HD2  TYR  19           HD2      TYR  19  10.703   4.811  -9.653
  122    HE1  TYR  19           HE1      TYR  19  13.959   1.158 -10.159
  123    HE2  TYR  19           HE2      TYR  19  11.093   3.816 -11.869
  124    HH   TYR  19           HH       TYR  19  13.063   2.550 -12.996
  125    H    GLY  20           H        GLY  20  13.702   6.215  -4.758
  126    HA2  GLY  20           2HA      GLY  20  13.074   7.939  -3.334
  127    HA3  GLY  20           3HA      GLY  20  11.750   8.319  -4.426
  128    H    TYR  21           H        TYR  21  11.792   5.043  -3.693
  129    HA   TYR  21           HA       TYR  21   9.622   5.430  -1.749
  130    HB2  TYR  21           2HB      TYR  21  10.236   2.975  -3.404
  131    HB3  TYR  21           3HB      TYR  21   8.808   3.244  -2.411
  132    HD1  TYR  21           HD1      TYR  21   7.898   5.874  -3.094
  133    HD2  TYR  21           HD2      TYR  21   9.614   2.917  -5.626
  134    HE1  TYR  21           HE1      TYR  21   6.737   6.862  -5.024
  135    HE2  TYR  21           HE2      TYR  21   8.459   3.898  -7.563
  136    HH   TYR  21           HH       TYR  21   7.481   6.029  -8.240
  137    H    CYS  22           H        CYS  22   9.692   4.531   0.244
  138    HA   CYS  22           HA       CYS  22  12.237   3.634   1.219
  139    HB2  CYS  22           2HB      CYS  22   9.616   3.598   2.716
  140    HB3  CYS  22           3HB      CYS  22  11.241   3.674   3.389
  141    H    GLY  23           H        GLY  23  12.639   1.627   2.304
  142    HA2  GLY  23           2HA      GLY  23  10.916  -0.552   2.425
  143    HA3  GLY  23           3HA      GLY  23  11.708  -0.628   0.858
  144    H    SER  24           H        SER  24  12.631  -2.639   1.568
  145    HA   SER  24           HA       SER  24  15.025  -2.215   3.222
  146    HB2  SER  24           2HB      SER  24  13.200  -3.442   4.471
  147    HB3  SER  24           3HB      SER  24  13.371  -4.745   3.295
  148    HG   SER  24           HG       SER  24  14.881  -5.414   4.591
  149    H    GLY  25           H        GLY  25  16.241  -4.614   3.009
  150    HA2  GLY  25           2HA      GLY  25  17.131  -6.194   1.511
  151    HA3  GLY  25           3HA      GLY  25  16.282  -5.394   0.196
  152    HA   PRO  26           HA       PRO  26  20.695  -4.100   0.246
  153    HB2  PRO  26           2HB      PRO  26  21.682  -5.511  -1.875
  154    HB3  PRO  26           3HB      PRO  26  21.867  -6.029  -0.211
  155    HG2  PRO  26           2HG      PRO  26  20.052  -7.088  -2.291
  156    HG3  PRO  26           3HG      PRO  26  20.557  -7.837  -0.789
  157    HD2  PRO  26           2HD      PRO  26  18.026  -6.596  -1.322
  158    HD3  PRO  26           3HD      PRO  26  18.575  -7.242   0.212
  159    H    ALA  27           H        ALA  27  18.311  -4.453  -2.072
  160    HA   ALA  27           HA       ALA  27  19.438  -2.568  -3.934
  161    HB1  ALA  27           1HB      ALA  27  17.799  -4.527  -4.401
  162    HB2  ALA  27           2HB      ALA  27  16.556  -3.363  -3.938
  163    HB3  ALA  27           3HB      ALA  27  17.626  -3.017  -5.297
  164    H    TYR  28           H        TYR  28  18.046  -2.222  -0.962
  165    HA   TYR  28           HA       TYR  28  16.970   0.440  -1.630
  166    HB2  TYR  28           2HB      TYR  28  16.138  -1.552   0.469
  167    HB3  TYR  28           3HB      TYR  28  15.720   0.152   0.602
  168    HD1  TYR  28           HD1      TYR  28  15.648  -2.465  -2.076
  169    HD2  TYR  28           HD2      TYR  28  13.585   0.671  -0.072
  170    HE1  TYR  28           HE1      TYR  28  13.691  -2.839  -3.518
  171    HE2  TYR  28           HE2      TYR  28  11.622   0.305  -1.508
  172    HH   TYR  28           HH       TYR  28  10.641  -1.413  -2.882
  173    H    CYS  29           H        CYS  29  18.849  -1.443   0.692
  174    HA   CYS  29           HA       CYS  29  19.722   1.003   2.032
  175    HB2  CYS  29           2HB      CYS  29  20.068  -1.927   2.666
  176    HB3  CYS  29           3HB      CYS  29  20.912  -0.661   3.553
  177    H    GLY  30           H        GLY  30  20.815  -1.362  -0.239
  178    HA2  GLY  30           2HA      GLY  30  23.621  -0.744   0.078
  179    HA3  GLY  30           3HA      GLY  30  22.911  -1.781  -1.150
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1   1.381   1.911  -1.698
    2    HA   ALA   1           HA       ALA   1   1.816  -0.803  -1.584
    3    HB1  ALA   1           1HB      ALA   1   3.269   1.300  -3.174
    4    HB2  ALA   1           2HB      ALA   1   3.475  -0.433  -3.426
    5    HB3  ALA   1           3HB      ALA   1   1.899   0.314  -3.684
    6    H    ALA   2           H        ALA   2   3.962   1.802  -0.567
    7    HA   ALA   2           HA       ALA   2   5.436  -0.023   1.109
    8    HB1  ALA   2           1HB      ALA   2   7.607   0.341   0.155
    9    HB2  ALA   2           2HB      ALA   2   6.536  -0.273  -1.105
   10    HB3  ALA   2           3HB      ALA   2   6.941   1.442  -1.052
   11    H    GLY   3           H        GLY   3   5.669   3.218  -0.377
   12    HA2  GLY   3           2HA      GLY   3   5.068   5.058   1.248
   13    HA3  GLY   3           3HA      GLY   3   6.227   4.287   2.320
   14    H    GLN   4           H        GLN   4   6.010   6.981   0.844
   15    HA   GLN   4           HA       GLN   4   8.459   6.947  -0.726
   16    HB2  GLN   4           2HB      GLN   4   6.259   8.911  -0.264
   17    HB3  GLN   4           3HB      GLN   4   7.828   9.518  -0.778
   18    HG2  GLN   4           2HG      GLN   4   7.746   8.300  -2.798
   19    HG3  GLN   4           3HG      GLN   4   6.370   7.345  -2.249
   20   HE21  GLN   4          1HE2      GLN   4   6.687   8.999  -4.638
   21   HE22  GLN   4          2HE2      GLN   4   5.406  10.157  -4.588
   22    H    CYS   5           H        CYS   5  10.362   7.907  -0.154
   23    HA   CYS   5           HA       CYS   5  10.931   8.170   2.609
   24    HB2  CYS   5           2HB      CYS   5  12.636   9.182   0.331
   25    HB3  CYS   5           3HB      CYS   5  13.168   8.702   1.939
   26    H    TYR   6           H        TYR   6  12.145  10.176   3.428
   27    HA   TYR   6           HA       TYR   6  10.827  12.633   2.495
   28    HB2  TYR   6           2HB      TYR   6   9.697  11.712   4.535
   29    HB3  TYR   6           3HB      TYR   6  11.213  11.912   5.406
   30    HD1  TYR   6           HD1      TYR   6   8.669  13.819   3.468
   31    HD2  TYR   6           HD2      TYR   6  11.703  13.942   6.449
   32    HE1  TYR   6           HE1      TYR   6   8.050  16.141   3.994
   33    HE2  TYR   6           HE2      TYR   6  11.092  16.263   6.984
   34    HH   TYR   6           HH       TYR   6   9.955  18.210   5.695
   35    H    ARG   7           H        ARG   7  12.519  13.685   1.628
   36    HA   ARG   7           HA       ARG   7  14.585  14.629   1.389
   37    HB2  ARG   7           2HB      ARG   7  13.389  15.915   3.304
   38    HB3  ARG   7           3HB      ARG   7  14.548  15.108   4.352
   39    HG2  ARG   7           2HG      ARG   7  16.308  16.053   2.690
   40    HG3  ARG   7           3HG      ARG   7  15.015  17.169   2.247
   41    HD2  ARG   7           2HD      ARG   7  15.417  18.398   4.052
   42    HD3  ARG   7           3HD      ARG   7  15.164  16.997   5.092
   43    HE   ARG   7           HE       ARG   7  17.760  17.035   3.884
   44   HH11  ARG   7          1HH1      ARG   7  15.842  18.253   6.523
   45   HH12  ARG   7          2HH1      ARG   7  17.204  18.520   7.560
   46   HH21  ARG   7          1HH2      ARG   7  19.561  17.383   5.241
   47   HH22  ARG   7          2HH2      ARG   7  19.318  18.026   6.830
   48    H    GLY   8           H        GLY   8  14.623  11.799   1.857
   49    HA2  GLY   8           2HA      GLY   8  16.477  10.354   1.897
   50    HA3  GLY   8           3HA      GLY   8  17.381  11.575   2.781
   51    H    ARG   9           H        ARG   9  14.193  10.783   3.853
   52    HA   ARG   9           HA       ARG   9  15.338   9.173   6.040
   53    HB2  ARG   9           2HB      ARG   9  14.476  11.635   6.480
   54    HB3  ARG   9           3HB      ARG   9  12.906  10.843   6.497
   55    HG2  ARG   9           2HG      ARG   9  13.316   9.759   8.448
   56    HG3  ARG   9           3HG      ARG   9  15.050   9.636   8.143
   57    HD2  ARG   9           2HD      ARG   9  15.329  11.329   9.559
   58    HD3  ARG   9           3HD      ARG   9  14.555  12.367   8.362
   59    HE   ARG   9           HE       ARG   9  12.662  11.006  10.014
   60   HH11  ARG   9          1HH1      ARG   9  14.808  13.742   9.852
   61   HH12  ARG   9          2HH1      ARG   9  13.901  14.686  10.987
   62   HH21  ARG   9          1HH2      ARG   9  11.459  12.238  11.509
   63   HH22  ARG   9          2HH2      ARG   9  11.996  13.829  11.929
   64    H    CYS  10           H        CYS  10  13.872   7.647   7.034
   65    HA   CYS  10           HA       CYS  10  11.426   7.014   5.598
   66    HB2  CYS  10           2HB      CYS  10  13.864   5.255   5.607
   67    HB3  CYS  10           3HB      CYS  10  12.252   4.559   5.472
   68    H    SER  11           H        SER  11  10.278   5.140   6.647
   69    HA   SER  11           HA       SER  11  10.439   5.477   9.531
   70    HB2  SER  11           2HB      SER  11   8.302   4.130   9.501
   71    HB3  SER  11           3HB      SER  11   8.231   5.652   8.613
   72    HG   SER  11           HG       SER  11   8.571   3.050   7.537
   73    H    GLY  12           H        GLY  12  10.266   3.590  10.965
   74    HA2  GLY  12           2HA      GLY  12  11.175   1.645  11.783
   75    HA3  GLY  12           3HA      GLY  12  10.700   0.951  10.239
   76    H    GLY  13           H        GLY  13  13.019   3.562  10.524
   77    HA2  GLY  13           2HA      GLY  13  15.216   3.690   9.862
   78    HA3  GLY  13           3HA      GLY  13  15.399   2.171  10.728
   79    H    LEU  14           H        LEU  14  13.331   2.554   7.927
   80    HA   LEU  14           HA       LEU  14  14.647   0.398   6.582
   81    HB2  LEU  14           2HB      LEU  14  12.368   2.222   5.922
   82    HB3  LEU  14           3HB      LEU  14  13.047   1.159   4.691
   83    HG   LEU  14           HG       LEU  14  11.960   0.162   7.318
   84   HD11  LEU  14          1HD1      LEU  14  10.589   0.647   4.696
   85   HD12  LEU  14          2HD1      LEU  14  10.078   1.117   6.317
   86   HD13  LEU  14          3HD1      LEU  14  10.019  -0.577   5.830
   87   HD21  LEU  14          3HD2      LEU  14  12.285  -1.944   6.518
   88   HD22  LEU  14          1HD2      LEU  14  13.609  -1.126   5.688
   89   HD23  LEU  14          2HD2      LEU  14  12.102  -1.455   4.833
   90    H    CYS  15           H        CYS  15  14.997   0.791   4.074
   91    HA   CYS  15           HA       CYS  15  16.873   3.050   3.871
   92    HB2  CYS  15           2HB      CYS  15  16.836   0.352   2.516
   93    HB3  CYS  15           3HB      CYS  15  17.882   1.667   1.991
   94    H    CYS  16           H        CYS  16  16.937   4.297   1.979
   95    HA   CYS  16           HA       CYS  16  14.376   4.519   0.641
   96    HB2  CYS  16           2HB      CYS  16  15.866   6.458   1.513
   97    HB3  CYS  16           3HB      CYS  16  16.782   6.213   0.030
   98    H    SER  17           H        SER  17  13.913   3.746  -1.310
   99    HA   SER  17           HA       SER  17  15.933   2.307  -2.789
  100    HB2  SER  17           2HB      SER  17  14.170   1.388  -4.040
  101    HB3  SER  17           3HB      SER  17  13.463   1.620  -2.441
  102    HG   SER  17           HG       SER  17  12.070   2.906  -3.322
  103    H    LYS  18           H        LYS  18  15.941   2.569  -5.241
  104    HA   LYS  18           HA       LYS  18  16.793   5.210  -5.851
  105    HB2  LYS  18           2HB      LYS  18  17.787   3.215  -6.895
  106    HB3  LYS  18           3HB      LYS  18  16.262   2.878  -7.704
  107    HG2  LYS  18           2HG      LYS  18  16.609   4.429  -9.292
  108    HG3  LYS  18           3HG      LYS  18  17.364   5.563  -8.170
  109    HD2  LYS  18           2HD      LYS  18  18.797   3.060  -8.966
  110    HD3  LYS  18           3HD      LYS  18  18.793   4.458 -10.044
  111    HE2  LYS  18           2HE      LYS  18  20.084   5.709  -8.646
  112    HE3  LYS  18           3HE      LYS  18  19.453   4.936  -7.193
  113    HZ1  LYS  18           3HZ      LYS  18  21.571   4.105  -7.279
  114    HZ2  LYS  18           1HZ      LYS  18  21.622   4.060  -8.970
  115    HZ3  LYS  18           2HZ      LYS  18  20.739   2.895  -8.118
  116    H    TYR  19           H        TYR  19  13.744   3.837  -5.725
  117    HA   TYR  19           HA       TYR  19  12.641   5.612  -7.781
  118    HB2  TYR  19           2HB      TYR  19  11.655   3.153  -6.397
  119    HB3  TYR  19           3HB      TYR  19  10.477   4.296  -7.033
  120    HD1  TYR  19           HD2      TYR  19  13.301   2.092  -7.963
  121    HD2  TYR  19           HD1      TYR  19  10.014   4.409  -9.353
  122    HE1  TYR  19           HE2      TYR  19  13.551   1.096 -10.198
  123    HE2  TYR  19           HE1      TYR  19  10.255   3.419 -11.592
  124    HH   TYR  19           HH       TYR  19  12.465   2.278 -12.871
  125    H    GLY  20           H        GLY  20  13.461   5.876  -4.666
  126    HA2  GLY  20           2HA      GLY  20  12.951   7.632  -3.219
  127    HA3  GLY  20           3HA      GLY  20  11.554   8.014  -4.213
  128    H    TYR  21           H        TYR  21  11.636   4.737  -3.516
  129    HA   TYR  21           HA       TYR  21   9.628   5.112  -1.402
  130    HB2  TYR  21           2HB      TYR  21  10.078   2.780  -3.275
  131    HB3  TYR  21           3HB      TYR  21   8.847   2.838  -2.018
  132    HD1  TYR  21           HD1      TYR  21   9.978   4.569  -5.111
  133    HD2  TYR  21           HD2      TYR  21   6.745   3.757  -2.467
  134    HE1  TYR  21           HE1      TYR  21   8.426   5.639  -6.691
  135    HE2  TYR  21           HE2      TYR  21   5.184   4.824  -4.040
  136    HH   TYR  21           HH       TYR  21   5.833   6.842  -6.190
  137    H    CYS  22           H        CYS  22   9.845   4.170   0.561
  138    HA   CYS  22           HA       CYS  22  12.448   3.228   1.312
  139    HB2  CYS  22           2HB      CYS  22   9.948   3.198   3.005
  140    HB3  CYS  22           3HB      CYS  22  11.620   3.218   3.557
  141    H    GLY  23           H        GLY  23  12.905   1.195   2.334
  142    HA2  GLY  23           2HA      GLY  23  11.169  -0.969   2.535
  143    HA3  GLY  23           3HA      GLY  23  11.850  -1.021   0.915
  144    H    SER  24           H        SER  24  12.804  -3.051   1.510
  145    HA   SER  24           HA       SER  24  15.305  -2.687   3.016
  146    HB2  SER  24           2HB      SER  24  13.554  -3.939   4.343
  147    HB3  SER  24           3HB      SER  24  13.639  -5.208   3.122
  148    HG   SER  24           HG       SER  24  15.283  -4.744   5.197
  149    H    GLY  25           H        GLY  25  16.489  -5.082   2.657
  150    HA2  GLY  25           2HA      GLY  25  17.276  -6.621   1.063
  151    HA3  GLY  25           3HA      GLY  25  16.342  -5.788  -0.171
  152    HA   PRO  26           HA       PRO  26  20.752  -4.497  -0.385
  153    HB2  PRO  26           2HB      PRO  26  21.593  -5.858  -2.601
  154    HB3  PRO  26           3HB      PRO  26  21.887  -6.414  -0.965
  155    HG2  PRO  26           2HG      PRO  26  19.936  -7.423  -2.943
  156    HG3  PRO  26           3HG      PRO  26  20.539  -8.208  -1.497
  157    HD2  PRO  26           2HD      PRO  26  17.980  -6.955  -1.830
  158    HD3  PRO  26           3HD      PRO  26  18.629  -7.637  -0.352
  159    H    ALA  27           H        ALA  27  18.216  -4.793  -2.545
  160    HA   ALA  27           HA       ALA  27  19.219  -2.868  -4.437
  161    HB1  ALA  27           1HB      ALA  27  16.868  -3.011  -5.349
  162    HB2  ALA  27           2HB      ALA  27  17.780  -4.520  -5.325
  163    HB3  ALA  27           3HB      ALA  27  16.550  -4.214  -4.098
  164    H    TYR  28           H        TYR  28  18.035  -2.587  -1.367
  165    HA   TYR  28           HA       TYR  28  16.930   0.093  -1.899
  166    HB2  TYR  28           2HB      TYR  28  16.230  -1.944   0.204
  167    HB3  TYR  28           3HB      TYR  28  15.831  -0.242   0.404
  168    HD1  TYR  28           HD1      TYR  28  15.566  -2.799  -2.320
  169    HD2  TYR  28           HD2      TYR  28  13.659   0.301  -0.116
  170    HE1  TYR  28           HE1      TYR  28  13.515  -3.133  -3.636
  171    HE2  TYR  28           HE2      TYR  28  11.603  -0.025  -1.426
  172    HH   TYR  28           HH       TYR  28  11.057  -0.963  -3.791
  173    H    CYS  29           H        CYS  29  18.943  -1.851   0.256
  174    HA   CYS  29           HA       CYS  29  19.920   0.559   1.587
  175    HB2  CYS  29           2HB      CYS  29  20.296  -2.385   2.131
  176    HB3  CYS  29           3HB      CYS  29  21.193  -1.139   2.992
  177    H    GLY  30           H        GLY  30  20.846  -1.759  -0.804
  178    HA2  GLY  30           2HA      GLY  30  22.593  -1.557  -2.331
  179    HA3  GLY  30           3HA      GLY  30  23.241  -0.232  -1.376
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1   1.855   2.322  -0.925
    2    HA   ALA   1           HA       ALA   1   2.059   0.123  -2.644
    3    HB1  ALA   1           1HB      ALA   1   3.739   2.486  -3.472
    4    HB2  ALA   1           2HB      ALA   1   3.965   0.836  -4.055
    5    HB3  ALA   1           3HB      ALA   1   2.471   1.702  -4.416
    6    H    ALA   2           H        ALA   2   4.112   2.571  -1.068
    7    HA   ALA   2           HA       ALA   2   5.113   0.623   0.796
    8    HB1  ALA   2           1HB      ALA   2   6.466   0.379  -1.387
    9    HB2  ALA   2           2HB      ALA   2   7.215   1.903  -0.910
   10    HB3  ALA   2           3HB      ALA   2   7.337   0.493   0.142
   11    H    GLY   3           H        GLY   3   5.789   3.814  -0.647
   12    HA2  GLY   3           2HA      GLY   3   5.204   5.717   0.884
   13    HA3  GLY   3           3HA      GLY   3   6.138   4.853   2.097
   14    H    GLN   4           H        GLN   4   6.369   7.536   0.603
   15    HA   GLN   4           HA       GLN   4   8.985   7.249  -0.638
   16    HB2  GLN   4           2HB      GLN   4   7.012   9.499  -0.394
   17    HB3  GLN   4           3HB      GLN   4   8.671   9.814  -0.885
   18    HG2  GLN   4           2HG      GLN   4   7.873   7.701  -2.490
   19    HG3  GLN   4           3HG      GLN   4   6.459   8.750  -2.407
   20   HE21  GLN   4          1HE2      GLN   4   6.820  11.043  -2.894
   21   HE22  GLN   4          2HE2      GLN   4   7.991  11.456  -4.094
   22    H    CYS   5           H        CYS   5  10.879   8.080   0.155
   23    HA   CYS   5           HA       CYS   5  11.127   8.297   2.970
   24    HB2  CYS   5           2HB      CYS   5  13.169   9.178   0.926
   25    HB3  CYS   5           3HB      CYS   5  13.463   8.653   2.581
   26    H    TYR   6           H        TYR   6  12.576  10.249   3.797
   27    HA   TYR   6           HA       TYR   6  11.396  12.765   2.838
   28    HB2  TYR   6           2HB      TYR   6  11.551  11.780   5.686
   29    HB3  TYR   6           3HB      TYR   6  11.299  13.474   5.278
   30    HD1  TYR   6           HD1      TYR   6   9.420  13.469   3.121
   31    HD2  TYR   6           HD2      TYR   6   9.584  10.887   6.499
   32    HE1  TYR   6           HE1      TYR   6   7.002  13.065   2.922
   33    HE2  TYR   6           HE2      TYR   6   7.167  10.475   6.309
   34    HH   TYR   6           HH       TYR   6   5.109  12.175   5.008
   35    H    ARG   7           H        ARG   7  13.263  13.445   1.844
   36    HA   ARG   7           HA       ARG   7  15.406  14.204   1.607
   37    HB2  ARG   7           2HB      ARG   7  14.736  15.189   4.383
   38    HB3  ARG   7           3HB      ARG   7  16.148  15.711   3.473
   39    HG2  ARG   7           2HG      ARG   7  14.961  17.132   2.231
   40    HG3  ARG   7           3HG      ARG   7  13.657  15.969   1.983
   41    HD2  ARG   7           2HD      ARG   7  12.426  16.824   3.649
   42    HD3  ARG   7           3HD      ARG   7  13.820  16.986   4.716
   43    HE   ARG   7           HE       ARG   7  14.034  18.960   2.771
   44   HH11  ARG   7          1HH1      ARG   7  11.888  18.087   5.370
   45   HH12  ARG   7          2HH1      ARG   7  11.395  19.718   5.685
   46   HH21  ARG   7          1HH2      ARG   7  13.393  21.111   3.175
   47   HH22  ARG   7          2HH2      ARG   7  12.251  21.437   4.435
   48    H    GLY   8           H        GLY   8  15.219  11.490   2.496
   49    HA2  GLY   8           2HA      GLY   8  17.036  10.007   2.849
   50    HA3  GLY   8           3HA      GLY   8  17.862  11.274   3.744
   51    H    ARG   9           H        ARG   9  14.557  10.836   4.509
   52    HA   ARG   9           HA       ARG   9  15.289   9.252   6.883
   53    HB2  ARG   9           2HB      ARG   9  13.230  11.461   6.821
   54    HB3  ARG   9           3HB      ARG   9  13.779  10.563   8.229
   55    HG2  ARG   9           2HG      ARG   9  15.549  12.346   6.574
   56    HG3  ARG   9           3HG      ARG   9  14.715  12.856   8.043
   57    HD2  ARG   9           2HD      ARG   9  15.890  10.733   9.054
   58    HD3  ARG   9           3HD      ARG   9  17.000  10.973   7.705
   59    HE   ARG   9           HE       ARG   9  16.722  13.430   8.946
   60   HH11  ARG   9          1HH1      ARG   9  17.872  10.250   9.773
   61   HH12  ARG   9          2HH1      ARG   9  19.025  10.826  10.931
   62   HH21  ARG   9          1HH2      ARG   9  18.237  14.201  10.468
   63   HH22  ARG   9          2HH2      ARG   9  19.231  13.073  11.326
   64    H    CYS  10           H        CYS  10  14.378   7.318   6.682
   65    HA   CYS  10           HA       CYS  10  11.732   7.113   5.420
   66    HB2  CYS  10           2HB      CYS  10  14.040   5.228   5.703
   67    HB3  CYS  10           3HB      CYS  10  12.417   4.572   5.517
   68    H    SER  11           H        SER  11  10.599   4.968   6.348
   69    HA   SER  11           HA       SER  11   9.813   5.657   8.995
   70    HB2  SER  11           2HB      SER  11   8.312   4.627   7.258
   71    HB3  SER  11           3HB      SER  11   9.168   3.105   7.503
   72    HG   SER  11           HG       SER  11   7.598   4.548   9.366
   73    H    GLY  12           H        GLY  12  10.434   4.858  10.918
   74    HA2  GLY  12           2HA      GLY  12  11.767   3.781  12.450
   75    HA3  GLY  12           3HA      GLY  12  11.415   2.344  11.502
   76    H    GLY  13           H        GLY  13  13.075   1.340  10.565
   77    HA2  GLY  13           2HA      GLY  13  15.554   2.889  10.140
   78    HA3  GLY  13           3HA      GLY  13  15.578   1.280  10.848
   79    H    LEU  14           H        LEU  14  13.477   2.242   8.205
   80    HA   LEU  14           HA       LEU  14  14.398   0.063   6.595
   81    HB2  LEU  14           2HB      LEU  14  12.425   2.283   6.197
   82    HB3  LEU  14           3HB      LEU  14  12.872   1.216   4.867
   83    HG   LEU  14           HG       LEU  14  11.767   0.175   7.464
   84   HD11  LEU  14          1HD1      LEU  14   9.643   0.574   6.856
   85   HD12  LEU  14          2HD1      LEU  14   9.973   0.315   5.144
   86   HD13  LEU  14          3HD1      LEU  14  10.354   1.867   5.889
   87   HD21  LEU  14          3HD2      LEU  14  12.985  -1.131   5.425
   88   HD22  LEU  14          1HD2      LEU  14  11.300  -1.194   4.907
   89   HD23  LEU  14          2HD2      LEU  14  11.764  -1.845   6.479
   90    H    CYS  15           H        CYS  15  14.757   0.624   4.137
   91    HA   CYS  15           HA       CYS  15  16.871   2.674   4.037
   92    HB2  CYS  15           2HB      CYS  15  16.620   0.028   2.606
   93    HB3  CYS  15           3HB      CYS  15  17.777   1.265   2.125
   94    H    CYS  16           H        CYS  16  17.055   3.967   2.186
   95    HA   CYS  16           HA       CYS  16  14.533   4.422   0.824
   96    HB2  CYS  16           2HB      CYS  16  16.243   6.186   1.796
   97    HB3  CYS  16           3HB      CYS  16  17.005   5.992   0.221
   98    H    SER  17           H        SER  17  14.061   3.770  -1.170
   99    HA   SER  17           HA       SER  17  16.003   2.245  -2.664
  100    HB2  SER  17           2HB      SER  17  14.208   1.510  -3.988
  101    HB3  SER  17           3HB      SER  17  13.481   1.731  -2.396
  102    HG   SER  17           HG       SER  17  12.212   3.159  -3.248
  103    H    LYS  18           H        LYS  18  16.093   2.602  -5.101
  104    HA   LYS  18           HA       LYS  18  17.148   5.196  -5.584
  105    HB2  LYS  18           2HB      LYS  18  18.022   3.176  -6.687
  106    HB3  LYS  18           3HB      LYS  18  16.497   2.983  -7.541
  107    HG2  LYS  18           2HG      LYS  18  16.941   4.663  -9.005
  108    HG3  LYS  18           3HG      LYS  18  17.917   5.567  -7.844
  109    HD2  LYS  18           2HD      LYS  18  18.803   2.972  -9.092
  110    HD3  LYS  18           3HD      LYS  18  19.184   4.556  -9.771
  111    HE2  LYS  18           2HE      LYS  18  20.970   4.596  -8.445
  112    HE3  LYS  18           3HE      LYS  18  19.867   4.750  -7.078
  113    HZ1  LYS  18           3HZ      LYS  18  21.018   2.250  -8.185
  114    HZ2  LYS  18           1HZ      LYS  18  19.778   2.276  -7.034
  115    HZ3  LYS  18           2HZ      LYS  18  21.295   2.922  -6.657
  116    H    TYR  19           H        TYR  19  14.006   4.046  -5.583
  117    HA   TYR  19           HA       TYR  19  13.086   5.974  -7.589
  118    HB2  TYR  19           2HB      TYR  19  11.887   3.547  -6.320
  119    HB3  TYR  19           3HB      TYR  19  10.813   4.796  -6.940
  120    HD1  TYR  19           HD1      TYR  19  13.315   2.263  -7.839
  121    HD2  TYR  19           HD2      TYR  19  10.596   5.185  -9.313
  122    HE1  TYR  19           HE1      TYR  19  13.547   1.328 -10.102
  123    HE2  TYR  19           HE2      TYR  19  10.820   4.258 -11.580
  124    HH   TYR  19           HH       TYR  19  13.065   2.637 -12.690
  125    H    GLY  20           H        GLY  20  13.847   6.062  -4.450
  126    HA2  GLY  20           2HA      GLY  20  13.435   7.798  -2.949
  127    HA3  GLY  20           3HA      GLY  20  12.091   8.316  -3.956
  128    H    TYR  21           H        TYR  21  11.912   5.021  -3.388
  129    HA   TYR  21           HA       TYR  21   9.892   5.465  -1.299
  130    HB2  TYR  21           2HB      TYR  21  10.218   3.172  -3.246
  131    HB3  TYR  21           3HB      TYR  21   8.965   3.277  -2.015
  132    HD1  TYR  21           HD1      TYR  21  10.295   5.033  -5.014
  133    HD2  TYR  21           HD2      TYR  21   6.945   4.356  -2.481
  134    HE1  TYR  21           HE1      TYR  21   8.863   6.267  -6.588
  135    HE2  TYR  21           HE2      TYR  21   5.503   5.587  -4.048
  136    HH   TYR  21           HH       TYR  21   6.004   7.512  -5.883
  137    H    CYS  22           H        CYS  22  10.001   4.447   0.633
  138    HA   CYS  22           HA       CYS  22  12.511   3.288   1.399
  139    HB2  CYS  22           2HB      CYS  22   9.971   3.410   3.031
  140    HB3  CYS  22           3HB      CYS  22  11.619   3.244   3.629
  141    H    GLY  23           H        GLY  23  12.777   1.196   2.388
  142    HA2  GLY  23           2HA      GLY  23  10.888  -0.838   2.469
  143    HA3  GLY  23           3HA      GLY  23  11.600  -0.889   0.862
  144    H    SER  24           H        SER  24  12.387  -3.002   1.406
  145    HA   SER  24           HA       SER  24  14.876  -2.875   2.968
  146    HB2  SER  24           2HB      SER  24  13.010  -4.026   4.228
  147    HB3  SER  24           3HB      SER  24  13.023  -5.264   2.973
  148    HG   SER  24           HG       SER  24  14.675  -4.957   5.083
  149    H    GLY  25           H        GLY  25  15.877  -5.347   2.559
  150    HA2  GLY  25           2HA      GLY  25  16.580  -6.895   0.936
  151    HA3  GLY  25           3HA      GLY  25  15.729  -5.964  -0.288
  152    HA   PRO  26           HA       PRO  26  20.224  -4.996  -0.407
  153    HB2  PRO  26           2HB      PRO  26  20.995  -6.353  -2.651
  154    HB3  PRO  26           3HB      PRO  26  21.223  -6.975  -1.029
  155    HG2  PRO  26           2HG      PRO  26  19.232  -7.781  -3.060
  156    HG3  PRO  26           3HG      PRO  26  19.754  -8.648  -1.630
  157    HD2  PRO  26           2HD      PRO  26  17.300  -7.200  -1.959
  158    HD3  PRO  26           3HD      PRO  26  17.874  -7.969  -0.493
  159    H    ALA  27           H        ALA  27  17.703  -5.037  -2.601
  160    HA   ALA  27           HA       ALA  27  18.873  -3.145  -4.429
  161    HB1  ALA  27           1HB      ALA  27  16.016  -4.079  -4.169
  162    HB2  ALA  27           2HB      ALA  27  16.686  -3.150  -5.511
  163    HB3  ALA  27           3HB      ALA  27  17.249  -4.793  -5.210
  164    H    TYR  28           H        TYR  28  17.675  -2.858  -1.364
  165    HA   TYR  28           HA       TYR  28  16.798  -0.082  -1.830
  166    HB2  TYR  28           2HB      TYR  28  15.898  -2.116   0.200
  167    HB3  TYR  28           3HB      TYR  28  15.633  -0.393   0.443
  168    HD1  TYR  28           HD1      TYR  28  15.209  -2.850  -2.352
  169    HD2  TYR  28           HD2      TYR  28  13.526   0.345  -0.102
  170    HE1  TYR  28           HE1      TYR  28  13.163  -2.980  -3.710
  171    HE2  TYR  28           HE2      TYR  28  11.474   0.222  -1.452
  172    HH   TYR  28           HH       TYR  28  11.079  -0.788  -4.109
  173    H    CYS  29           H        CYS  29  18.614  -2.248   0.286
  174    HA   CYS  29           HA       CYS  29  19.757   0.032   1.711
  175    HB2  CYS  29           2HB      CYS  29  19.899  -2.949   2.159
  176    HB3  CYS  29           3HB      CYS  29  20.866  -1.802   3.080
  177    H    GLY  30           H        GLY  30  20.535  -2.272  -0.745
  178    HA2  GLY  30           2HA      GLY  30  23.397  -1.884  -0.542
  179    HA3  GLY  30           3HA      GLY  30  22.551  -2.816  -1.769
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1   7.876  -2.577   3.259
    2    HA   ALA   1           HA       ALA   1   8.339  -0.084   1.992
    3    HB1  ALA   1           1HB      ALA   1   8.455  -1.818   0.497
    4    HB2  ALA   1           2HB      ALA   1   7.068  -2.657   1.194
    5    HB3  ALA   1           3HB      ALA   1   6.821  -1.232   0.185
    6    H    ALA   2           H        ALA   2   7.164   1.344   3.433
    7    HA   ALA   2           HA       ALA   2   4.276   1.187   3.470
    8    HB1  ALA   2           1HB      ALA   2   4.683   3.534   4.604
    9    HB2  ALA   2           2HB      ALA   2   4.979   2.028   5.474
   10    HB3  ALA   2           3HB      ALA   2   6.327   2.912   4.758
   11    H    GLY   3           H        GLY   3   6.314   4.013   2.751
   12    HA2  GLY   3           2HA      GLY   3   4.863   4.375   0.224
   13    HA3  GLY   3           3HA      GLY   3   4.819   5.670   1.411
   14    H    GLN   4           H        GLN   4   5.977   7.245   0.459
   15    HA   GLN   4           HA       GLN   4   8.495   6.611  -0.854
   16    HB2  GLN   4           2HB      GLN   4   6.685   8.971  -0.749
   17    HB3  GLN   4           3HB      GLN   4   8.389   9.267  -1.066
   18    HG2  GLN   4           2HG      GLN   4   8.179   7.514  -2.901
   19    HG3  GLN   4           3HG      GLN   4   6.437   7.676  -2.690
   20   HE21  GLN   4          1HE2      GLN   4   5.660   8.839  -4.293
   21   HE22  GLN   4          2HE2      GLN   4   6.337  10.304  -4.910
   22    H    CYS   5           H        CYS   5  10.350   8.183  -0.412
   23    HA   CYS   5           HA       CYS   5  10.967   8.017   2.400
   24    HB2  CYS   5           2HB      CYS   5  12.659   9.274   0.239
   25    HB3  CYS   5           3HB      CYS   5  13.193   8.628   1.787
   26    H    TYR   6           H        TYR   6  12.130   9.955   3.412
   27    HA   TYR   6           HA       TYR   6  10.780  12.468   2.697
   28    HB2  TYR   6           2HB      TYR   6   9.618  11.399   4.613
   29    HB3  TYR   6           3HB      TYR   6  11.128  11.427   5.517
   30    HD1  TYR   6           HD1      TYR   6   9.085  13.858   3.530
   31    HD2  TYR   6           HD2      TYR   6  11.284  13.094   7.092
   32    HE1  TYR   6           HE1      TYR   6   8.551  16.119   4.337
   33    HE2  TYR   6           HE2      TYR   6  10.756  15.352   7.909
   34    HH   TYR   6           HH       TYR   6   9.526  17.778   5.942
   35    H    ARG   7           H        ARG   7  12.417  13.694   2.001
   36    HA   ARG   7           HA       ARG   7  14.458  14.711   1.870
   37    HB2  ARG   7           2HB      ARG   7  13.758  14.830   4.788
   38    HB3  ARG   7           3HB      ARG   7  15.267  15.518   4.203
   39    HG2  ARG   7           2HG      ARG   7  14.247  17.269   3.225
   40    HG3  ARG   7           3HG      ARG   7  12.850  16.313   2.726
   41    HD2  ARG   7           2HD      ARG   7  11.679  17.095   4.443
   42    HD3  ARG   7           3HD      ARG   7  12.879  16.461   5.569
   43    HE   ARG   7           HE       ARG   7  12.573  19.190   4.711
   44   HH11  ARG   7          1HH1      ARG   7  14.759  16.821   6.026
   45   HH12  ARG   7          2HH1      ARG   7  15.796  17.997   6.764
   46   HH21  ARG   7          1HH2      ARG   7  13.930  20.747   5.679
   47   HH22  ARG   7          2HH2      ARG   7  15.323  20.229   6.567
   48    H    GLY   8           H        GLY   8  14.567  11.849   1.927
   49    HA2  GLY   8           2HA      GLY   8  16.374  10.384   1.794
   50    HA3  GLY   8           3HA      GLY   8  17.355  11.554   2.663
   51    H    ARG   9           H        ARG   9  14.254  10.540   3.883
   52    HA   ARG   9           HA       ARG   9  15.473   8.625   5.710
   53    HB2  ARG   9           2HB      ARG   9  14.143  11.188   6.574
   54    HB3  ARG   9           3HB      ARG   9  14.269   9.795   7.640
   55    HG2  ARG   9           2HG      ARG   9  16.216  10.649   8.284
   56    HG3  ARG   9           3HG      ARG   9  16.843  10.111   6.724
   57    HD2  ARG   9           2HD      ARG   9  16.834  12.209   5.842
   58    HD3  ARG   9           3HD      ARG   9  15.442  12.720   6.795
   59    HE   ARG   9           HE       ARG   9  18.171  13.098   7.453
   60   HH11  ARG   9          1HH1      ARG   9  15.073  12.380   8.871
   61   HH12  ARG   9          2HH1      ARG   9  15.475  13.061  10.413
   62   HH21  ARG   9          1HH2      ARG   9  18.712  13.997   9.479
   63   HH22  ARG   9          2HH2      ARG   9  17.545  13.981  10.757
   64    H    CYS  10           H        CYS  10  14.208   6.900   5.826
   65    HA   CYS  10           HA       CYS  10  11.370   7.184   5.124
   66    HB2  CYS  10           2HB      CYS  10  13.302   4.881   4.980
   67    HB3  CYS  10           3HB      CYS  10  11.562   4.613   4.926
   68    H    SER  11           H        SER  11   9.878   5.628   6.252
   69    HA   SER  11           HA       SER  11  10.395   5.779   9.126
   70    HB2  SER  11           2HB      SER  11   8.281   6.729   8.227
   71    HB3  SER  11           3HB      SER  11   7.820   5.118   7.675
   72    HG   SER  11           HG       SER  11   8.342   5.857  10.367
   73    H    GLY  12           H        GLY  12   9.280   3.903  10.394
   74    HA2  GLY  12           2HA      GLY  12   9.382   1.696  11.013
   75    HA3  GLY  12           3HA      GLY  12   9.076   1.331   9.321
   76    H    GLY  13           H        GLY  13  11.886   3.181  10.102
   77    HA2  GLY  13           2HA      GLY  13  14.127   2.706   9.969
   78    HA3  GLY  13           3HA      GLY  13  13.723   1.112  10.590
   79    H    LEU  14           H        LEU  14  12.191   2.097   7.672
   80    HA   LEU  14           HA       LEU  14  13.408  -0.050   6.223
   81    HB2  LEU  14           2HB      LEU  14  11.434   2.097   5.531
   82    HB3  LEU  14           3HB      LEU  14  12.097   1.036   4.290
   83    HG   LEU  14           HG       LEU  14  10.614   0.040   6.717
   84   HD11  LEU  14          1HD1      LEU  14   8.673  -0.204   5.316
   85   HD12  LEU  14          2HD1      LEU  14   9.547   0.443   3.928
   86   HD13  LEU  14          3HD1      LEU  14   9.186   1.484   5.305
   87   HD21  LEU  14          3HD2      LEU  14  11.172  -1.986   6.006
   88   HD22  LEU  14          1HD2      LEU  14  12.204  -1.244   4.784
   89   HD23  LEU  14          2HD2      LEU  14  10.528  -1.639   4.401
   90    H    CYS  15           H        CYS  15  14.087   0.521   3.835
   91    HA   CYS  15           HA       CYS  15  16.159   2.603   4.041
   92    HB2  CYS  15           2HB      CYS  15  16.080   0.030   2.461
   93    HB3  CYS  15           3HB      CYS  15  17.298   1.276   2.209
   94    H    CYS  16           H        CYS  16  16.529   3.992   2.301
   95    HA   CYS  16           HA       CYS  16  14.187   4.501   0.672
   96    HB2  CYS  16           2HB      CYS  16  15.547   6.293   1.870
   97    HB3  CYS  16           3HB      CYS  16  16.782   6.039   0.641
   98    H    SER  17           H        SER  17  13.938   3.883  -1.369
   99    HA   SER  17           HA       SER  17  16.061   2.454  -2.704
  100    HB2  SER  17           2HB      SER  17  14.430   1.723  -4.226
  101    HB3  SER  17           3HB      SER  17  13.537   1.879  -2.713
  102    HG   SER  17           HG       SER  17  12.323   3.290  -3.663
  103    H    LYS  18           H        LYS  18  16.394   2.897  -5.104
  104    HA   LYS  18           HA       LYS  18  17.424   5.530  -5.392
  105    HB2  LYS  18           2HB      LYS  18  17.083   3.277  -7.375
  106    HB3  LYS  18           3HB      LYS  18  17.900   4.789  -7.749
  107    HG2  LYS  18           2HG      LYS  18  19.745   4.248  -6.560
  108    HG3  LYS  18           3HG      LYS  18  18.836   3.339  -5.351
  109    HD2  LYS  18           2HD      LYS  18  20.196   1.804  -6.602
  110    HD3  LYS  18           3HD      LYS  18  18.507   1.541  -7.040
  111    HE2  LYS  18           2HE      LYS  18  18.769   2.519  -9.132
  112    HE3  LYS  18           3HE      LYS  18  20.224   3.390  -8.650
  113    HZ1  LYS  18           3HZ      LYS  18  21.457   1.725  -9.391
  114    HZ2  LYS  18           1HZ      LYS  18  20.065   0.942  -9.949
  115    HZ3  LYS  18           2HZ      LYS  18  20.654   0.616  -8.398
  116    H    TYR  19           H        TYR  19  14.330   4.310  -5.752
  117    HA   TYR  19           HA       TYR  19  13.572   6.287  -7.780
  118    HB2  TYR  19           2HB      TYR  19  12.315   3.784  -6.734
  119    HB3  TYR  19           3HB      TYR  19  11.280   5.029  -7.426
  120    HD1  TYR  19           HD2      TYR  19  11.773   5.802  -9.805
  121    HD2  TYR  19           HD1      TYR  19  13.477   2.287  -8.116
  122    HE1  TYR  19           HE2      TYR  19  12.271   4.964 -12.063
  123    HE2  TYR  19           HE1      TYR  19  13.980   1.441 -10.370
  124    HH   TYR  19           HH       TYR  19  14.202   2.104 -12.578
  125    H    GLY  20           H        GLY  20  14.000   6.280  -4.579
  126    HA2  GLY  20           2HA      GLY  20  13.376   7.935  -3.064
  127    HA3  GLY  20           3HA      GLY  20  12.139   8.468  -4.193
  128    H    TYR  21           H        TYR  21  11.993   5.145  -3.763
  129    HA   TYR  21           HA       TYR  21   9.737   5.463  -1.904
  130    HB2  TYR  21           2HB      TYR  21  10.340   3.266  -3.894
  131    HB3  TYR  21           3HB      TYR  21   8.963   3.275  -2.798
  132    HD1  TYR  21           HD1      TYR  21  10.531   5.183  -5.579
  133    HD2  TYR  21           HD2      TYR  21   6.970   4.340  -3.408
  134    HE1  TYR  21           HE1      TYR  21   9.227   6.446  -7.239
  135    HE2  TYR  21           HE2      TYR  21   5.656   5.599  -5.062
  136    HH   TYR  21           HH       TYR  21   7.179   7.491  -7.563
  137    H    CYS  22           H        CYS  22   9.630   4.333  -0.027
  138    HA   CYS  22           HA       CYS  22  12.074   3.234   0.998
  139    HB2  CYS  22           2HB      CYS  22   9.360   3.130   2.314
  140    HB3  CYS  22           3HB      CYS  22  10.938   3.072   3.092
  141    H    GLY  23           H        GLY  23  12.342   1.105   1.869
  142    HA2  GLY  23           2HA      GLY  23  10.549  -1.008   1.637
  143    HA3  GLY  23           3HA      GLY  23  11.438  -0.937   0.123
  144    H    SER  24           H        SER  24  12.228  -3.061   0.679
  145    HA   SER  24           HA       SER  24  14.534  -2.911   2.500
  146    HB2  SER  24           2HB      SER  24  12.594  -4.190   3.497
  147    HB3  SER  24           3HB      SER  24  12.793  -5.365   2.196
  148    HG   SER  24           HG       SER  24  14.022  -6.160   3.798
  149    H    GLY  25           H        GLY  25  15.683  -5.315   2.097
  150    HA2  GLY  25           2HA      GLY  25  16.605  -6.763   0.485
  151    HA3  GLY  25           3HA      GLY  25  15.878  -5.782  -0.779
  152    HA   PRO  26           HA       PRO  26  20.325  -4.706  -0.301
  153    HB2  PRO  26           2HB      PRO  26  21.401  -5.917  -2.501
  154    HB3  PRO  26           3HB      PRO  26  21.451  -6.623  -0.898
  155    HG2  PRO  26           2HG      PRO  26  19.744  -7.362  -3.196
  156    HG3  PRO  26           3HG      PRO  26  20.116  -8.295  -1.760
  157    HD2  PRO  26           2HD      PRO  26  17.677  -6.889  -2.310
  158    HD3  PRO  26           3HD      PRO  26  18.094  -7.725  -0.827
  159    H    ALA  27           H        ALA  27  18.100  -4.698  -2.801
  160    HA   ALA  27           HA       ALA  27  19.424  -2.663  -4.352
  161    HB1  ALA  27           1HB      ALA  27  16.554  -3.548  -4.572
  162    HB2  ALA  27           2HB      ALA  27  17.540  -2.756  -5.802
  163    HB3  ALA  27           3HB      ALA  27  17.902  -4.411  -5.313
  164    H    TYR  28           H        TYR  28  17.835  -2.594  -1.463
  165    HA   TYR  28           HA       TYR  28  16.887   0.162  -1.898
  166    HB2  TYR  28           2HB      TYR  28  15.853  -2.015  -0.094
  167    HB3  TYR  28           3HB      TYR  28  15.475  -0.321   0.199
  168    HD1  TYR  28           HD2      TYR  28  15.518  -2.627  -2.752
  169    HD2  TYR  28           HD1      TYR  28  13.406   0.339  -0.551
  170    HE1  TYR  28           HE2      TYR  28  13.658  -2.772  -4.354
  171    HE2  TYR  28           HE1      TYR  28  11.539   0.201  -2.147
  172    HH   TYR  28           HH       TYR  28  10.946  -0.552  -4.227
  173    H    CYS  29           H        CYS  29  18.544  -2.031   0.317
  174    HA   CYS  29           HA       CYS  29  19.391   0.217   1.979
  175    HB2  CYS  29           2HB      CYS  29  19.693  -2.773   2.304
  176    HB3  CYS  29           3HB      CYS  29  20.382  -1.596   3.418
  177    H    GLY  30           H        GLY  30  20.575  -1.924  -0.464
  178    HA2  GLY  30           2HA      GLY  30  23.368  -1.412   0.102
  179    HA3  GLY  30           3HA      GLY  30  22.726  -2.324  -1.256
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1   4.896   3.185  -3.488
    2    HA   ALA   1           HA       ALA   1   2.218   3.278  -2.789
    3    HB1  ALA   1           1HB      ALA   1   1.250   1.269  -3.299
    4    HB2  ALA   1           2HB      ALA   1   2.281   1.484  -4.714
    5    HB3  ALA   1           3HB      ALA   1   2.795   0.424  -3.402
    6    H    ALA   2           H        ALA   2   5.277   1.597  -2.508
    7    HA   ALA   2           HA       ALA   2   4.862   0.435   0.031
    8    HB1  ALA   2           1HB      ALA   2   6.648  -0.351  -1.357
    9    HB2  ALA   2           2HB      ALA   2   7.402   1.244  -1.376
   10    HB3  ALA   2           3HB      ALA   2   7.347   0.312   0.120
   11    H    GLY   3           H        GLY   3   5.827   3.640  -0.988
   12    HA2  GLY   3           2HA      GLY   3   5.130   5.302   0.824
   13    HA3  GLY   3           3HA      GLY   3   6.249   4.395   1.831
   14    H    GLN   4           H        GLN   4   6.105   7.243   0.663
   15    HA   GLN   4           HA       GLN   4   8.598   7.347  -0.835
   16    HB2  GLN   4           2HB      GLN   4   6.875   9.663   0.047
   17    HB3  GLN   4           3HB      GLN   4   8.101   9.661  -1.215
   18    HG2  GLN   4           2HG      GLN   4   6.535   7.797  -2.236
   19    HG3  GLN   4           3HG      GLN   4   5.323   8.625  -1.260
   20   HE21  GLN   4          1HE2      GLN   4   4.374  10.345  -2.103
   21   HE22  GLN   4          2HE2      GLN   4   4.920  11.223  -3.487
   22    H    CYS   5           H        CYS   5  10.506   8.118  -0.084
   23    HA   CYS   5           HA       CYS   5  10.963   8.121   2.712
   24    HB2  CYS   5           2HB      CYS   5  12.780   9.180   0.539
   25    HB3  CYS   5           3HB      CYS   5  13.256   8.686   2.160
   26    H    TYR   6           H        TYR   6  11.782   9.865   4.012
   27    HA   TYR   6           HA       TYR   6  10.614  12.453   3.243
   28    HB2  TYR   6           2HB      TYR   6   9.849  11.193   5.359
   29    HB3  TYR   6           3HB      TYR   6  11.396  11.678   6.044
   30    HD1  TYR   6           HD1      TYR   6   8.377  13.105   4.382
   31    HD2  TYR   6           HD2      TYR   6  11.580  13.734   7.111
   32    HE1  TYR   6           HE1      TYR   6   7.410  15.279   5.006
   33    HE2  TYR   6           HE2      TYR   6  10.622  15.909   7.743
   34    HH   TYR   6           HH       TYR   6   9.129  17.563   6.949
   35    H    ARG   7           H        ARG   7  11.976  14.004   2.681
   36    HA   ARG   7           HA       ARG   7  13.926  15.135   2.319
   37    HB2  ARG   7           2HB      ARG   7  14.249  14.546   5.267
   38    HB3  ARG   7           3HB      ARG   7  15.130  15.777   4.373
   39    HG2  ARG   7           2HG      ARG   7  12.134  15.761   4.551
   40    HG3  ARG   7           3HG      ARG   7  13.155  16.551   5.754
   41    HD2  ARG   7           2HD      ARG   7  13.343  18.332   4.444
   42    HD3  ARG   7           3HD      ARG   7  14.047  17.335   3.172
   43    HE   ARG   7           HE       ARG   7  12.056  17.433   2.060
   44   HH11  ARG   7          1HH1      ARG   7  11.524  18.291   5.391
   45   HH12  ARG   7          2HH1      ARG   7   9.867  18.738   5.147
   46   HH21  ARG   7          1HH2      ARG   7   9.877  18.018   1.726
   47   HH22  ARG   7          2HH2      ARG   7   8.932  18.582   3.062
   48    H    GLY   8           H        GLY   8  14.064  12.335   1.740
   49    HA2  GLY   8           2HA      GLY   8  15.722  10.913   0.993
   50    HA3  GLY   8           3HA      GLY   8  16.913  12.055   1.599
   51    H    ARG   9           H        ARG   9  14.372  10.621   3.554
   52    HA   ARG   9           HA       ARG   9  16.158   8.656   4.702
   53    HB2  ARG   9           2HB      ARG   9  16.490  11.008   5.822
   54    HB3  ARG   9           3HB      ARG   9  14.984  10.612   6.640
   55    HG2  ARG   9           2HG      ARG   9  16.459   8.329   6.981
   56    HG3  ARG   9           3HG      ARG   9  17.679   9.600   7.080
   57    HD2  ARG   9           2HD      ARG   9  15.166   9.348   8.723
   58    HD3  ARG   9           3HD      ARG   9  16.829   9.173   9.284
   59    HE   ARG   9           HE       ARG   9  15.391  11.622   8.862
   60   HH11  ARG   9          1HH1      ARG   9  18.541  10.147   9.005
   61   HH12  ARG   9          2HH1      ARG   9  19.357  11.622   9.404
   62   HH21  ARG   9          1HH2      ARG   9  16.454  13.571   9.387
   63   HH22  ARG   9          2HH2      ARG   9  18.169  13.569   9.622
   64    H    CYS  10           H        CYS  10  15.065   6.945   5.492
   65    HA   CYS  10           HA       CYS  10  12.138   7.112   5.468
   66    HB2  CYS  10           2HB      CYS  10  14.026   4.757   5.320
   67    HB3  CYS  10           3HB      CYS  10  12.278   4.594   5.449
   68    H    SER  11           H        SER  11  11.170   5.348   7.056
   69    HA   SER  11           HA       SER  11  11.589   6.335   9.665
   70    HB2  SER  11           2HB      SER  11  10.271   3.688   9.132
   71    HB3  SER  11           3HB      SER  11   9.859   4.910  10.335
   72    HG   SER  11           HG       SER  11   9.264   4.823   7.599
   73    H    GLY  12           H        GLY  12  12.491   5.362  11.497
   74    HA2  GLY  12           2HA      GLY  12  14.942   4.121  11.219
   75    HA3  GLY  12           3HA      GLY  12  13.977   4.076  12.687
   76    H    GLY  13           H        GLY  13  15.160   2.302  10.016
   77    HA2  GLY  13           2HA      GLY  13  15.187  -0.169  10.698
   78    HA3  GLY  13           3HA      GLY  13  13.438   0.009  10.698
   79    H    LEU  14           H        LEU  14  13.310   1.729   8.398
   80    HA   LEU  14           HA       LEU  14  13.678  -0.312   6.344
   81    HB2  LEU  14           2HB      LEU  14  12.084   2.228   6.486
   82    HB3  LEU  14           3HB      LEU  14  12.326   1.366   4.968
   83    HG   LEU  14           HG       LEU  14  10.988   0.217   7.416
   84   HD11  LEU  14          1HD1      LEU  14   8.965   0.814   6.595
   85   HD12  LEU  14          2HD1      LEU  14   9.498   0.740   4.916
   86   HD13  LEU  14          3HD1      LEU  14   9.908   2.138   5.910
   87   HD21  LEU  14          3HD2      LEU  14  11.836  -1.606   6.257
   88   HD22  LEU  14          1HD2      LEU  14  11.601  -0.843   4.684
   89   HD23  LEU  14          2HD2      LEU  14  10.211  -1.439   5.590
   90    H    CYS  15           H        CYS  15  14.160   0.686   4.077
   91    HA   CYS  15           HA       CYS  15  16.358   2.628   4.321
   92    HB2  CYS  15           2HB      CYS  15  16.340   0.021   2.799
   93    HB3  CYS  15           3HB      CYS  15  17.511   1.299   2.489
   94    H    CYS  16           H        CYS  16  16.701   3.983   2.541
   95    HA   CYS  16           HA       CYS  16  14.333   4.429   0.933
   96    HB2  CYS  16           2HB      CYS  16  15.788   6.230   2.090
   97    HB3  CYS  16           3HB      CYS  16  16.885   6.008   0.730
   98    H    SER  17           H        SER  17  14.065   3.796  -1.103
   99    HA   SER  17           HA       SER  17  16.171   2.334  -2.432
  100    HB2  SER  17           2HB      SER  17  14.523   1.587  -3.930
  101    HB3  SER  17           3HB      SER  17  13.648   1.762  -2.409
  102    HG   SER  17           HG       SER  17  12.433   3.182  -3.346
  103    H    LYS  18           H        LYS  18  16.470   2.735  -4.848
  104    HA   LYS  18           HA       LYS  18  17.516   5.354  -5.191
  105    HB2  LYS  18           2HB      LYS  18  18.522   3.371  -6.245
  106    HB3  LYS  18           3HB      LYS  18  17.083   3.168  -7.236
  107    HG2  LYS  18           2HG      LYS  18  17.653   4.836  -8.649
  108    HG3  LYS  18           3HG      LYS  18  18.423   5.796  -7.383
  109    HD2  LYS  18           2HD      LYS  18  20.267   5.153  -8.578
  110    HD3  LYS  18           3HD      LYS  18  20.170   3.822  -7.423
  111    HE2  LYS  18           2HE      LYS  18  18.827   3.696 -10.106
  112    HE3  LYS  18           3HE      LYS  18  20.516   3.238  -9.891
  113    HZ1  LYS  18           3HZ      LYS  18  18.168   1.766  -9.270
  114    HZ2  LYS  18           1HZ      LYS  18  19.140   1.937  -7.896
  115    HZ3  LYS  18           2HZ      LYS  18  19.778   1.247  -9.302
  116    H    TYR  19           H        TYR  19  14.408   4.152  -5.490
  117    HA   TYR  19           HA       TYR  19  13.636   6.107  -7.534
  118    HB2  TYR  19           2HB      TYR  19  12.401   3.613  -6.457
  119    HB3  TYR  19           3HB      TYR  19  11.336   4.860  -7.097
  120    HD1  TYR  19           HD1      TYR  19  11.579   5.571  -9.483
  121    HD2  TYR  19           HD2      TYR  19  13.664   2.217  -7.900
  122    HE1  TYR  19           HE1      TYR  19  11.991   4.757 -11.767
  123    HE2  TYR  19           HE2      TYR  19  14.082   1.394 -10.180
  124    HH   TYR  19           HH       TYR  19  12.460   2.321 -12.795
  125    H    GLY  20           H        GLY  20  14.128   6.170  -4.355
  126    HA2  GLY  20           2HA      GLY  20  13.532   7.844  -2.852
  127    HA3  GLY  20           3HA      GLY  20  12.280   8.365  -3.970
  128    H    TYR  21           H        TYR  21  12.128   5.050  -3.475
  129    HA   TYR  21           HA       TYR  21   9.904   5.411  -1.587
  130    HB2  TYR  21           2HB      TYR  21  10.450   3.131  -3.499
  131    HB3  TYR  21           3HB      TYR  21   9.050   3.268  -2.440
  132    HD1  TYR  21           HD1      TYR  21   8.300   6.086  -2.769
  133    HD2  TYR  21           HD2      TYR  21   9.606   3.254  -5.662
  134    HE1  TYR  21           HE1      TYR  21   7.095   7.327  -4.518
  135    HE2  TYR  21           HE2      TYR  21   8.406   4.487  -7.420
  136    HH   TYR  21           HH       TYR  21   7.340   6.414  -7.917
  137    H    CYS  22           H        CYS  22   9.849   4.349   0.324
  138    HA   CYS  22           HA       CYS  22  12.297   3.223   1.304
  139    HB2  CYS  22           2HB      CYS  22   9.584   3.340   2.637
  140    HB3  CYS  22           3HB      CYS  22  11.123   3.024   3.431
  141    H    GLY  23           H        GLY  23  12.482   1.112   2.310
  142    HA2  GLY  23           2HA      GLY  23  10.654  -0.961   2.143
  143    HA3  GLY  23           3HA      GLY  23  11.519  -0.959   0.613
  144    H    SER  24           H        SER  24  12.297  -3.069   1.184
  145    HA   SER  24           HA       SER  24  14.622  -2.928   2.980
  146    HB2  SER  24           2HB      SER  24  12.671  -4.140   4.036
  147    HB3  SER  24           3HB      SER  24  12.824  -5.350   2.763
  148    HG   SER  24           HG       SER  24  14.474  -4.832   4.942
  149    H    GLY  25           H        GLY  25  15.708  -5.371   2.621
  150    HA2  GLY  25           2HA      GLY  25  16.596  -6.869   1.044
  151    HA3  GLY  25           3HA      GLY  25  15.844  -5.932  -0.238
  152    HA   PRO  26           HA       PRO  26  20.307  -4.870   0.085
  153    HB2  PRO  26           2HB      PRO  26  21.316  -6.165  -2.100
  154    HB3  PRO  26           3HB      PRO  26  21.404  -6.815  -0.475
  155    HG2  PRO  26           2HG      PRO  26  19.631  -7.620  -2.700
  156    HG3  PRO  26           3HG      PRO  26  20.035  -8.506  -1.242
  157    HD2  PRO  26           2HD      PRO  26  17.592  -7.101  -1.775
  158    HD3  PRO  26           3HD      PRO  26  18.043  -7.888  -0.276
  159    H    ALA  27           H        ALA  27  18.003  -4.917  -2.336
  160    HA   ALA  27           HA       ALA  27  19.298  -2.967  -4.012
  161    HB1  ALA  27           1HB      ALA  27  16.635  -4.324  -4.022
  162    HB2  ALA  27           2HB      ALA  27  16.912  -2.911  -5.040
  163    HB3  ALA  27           3HB      ALA  27  17.912  -4.350  -5.239
  164    H    TYR  28           H        TYR  28  17.814  -2.764  -1.068
  165    HA   TYR  28           HA       TYR  28  16.927   0.003  -1.564
  166    HB2  TYR  28           2HB      TYR  28  15.882  -2.087   0.335
  167    HB3  TYR  28           3HB      TYR  28  15.560  -0.374   0.583
  168    HD1  TYR  28           HD2      TYR  28  15.450  -2.784  -2.282
  169    HD2  TYR  28           HD1      TYR  28  13.498   0.334  -0.144
  170    HE1  TYR  28           HE2      TYR  28  13.544  -2.925  -3.829
  171    HE2  TYR  28           HE1      TYR  28  11.585   0.201  -1.684
  172    HH   TYR  28           HH       TYR  28  10.599  -1.087  -3.288
  173    H    CYS  29           H        CYS  29  18.577  -2.170   0.677
  174    HA   CYS  29           HA       CYS  29  19.536   0.102   2.243
  175    HB2  CYS  29           2HB      CYS  29  19.703  -2.884   2.654
  176    HB3  CYS  29           3HB      CYS  29  20.538  -1.729   3.687
  177    H    GLY  30           H        GLY  30  20.586  -2.139  -0.168
  178    HA2  GLY  30           2HA      GLY  30  22.503  -2.013  -1.473
  179    HA3  GLY  30           3HA      GLY  30  23.094  -0.729  -0.429
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1   0.184  -1.157  -0.117
    2    HA   ALA   1           HA       ALA   1   1.950   0.045  -1.845
    3    HB1  ALA   1           1HB      ALA   1   0.006   1.142  -0.754
    4    HB2  ALA   1           2HB      ALA   1   0.963   1.278   0.722
    5    HB3  ALA   1           3HB      ALA   1   1.473   2.122  -0.741
    6    H    ALA   2           H        ALA   2   3.996   0.886  -1.736
    7    HA   ALA   2           HA       ALA   2   5.743  -0.255   0.254
    8    HB1  ALA   2           1HB      ALA   2   6.660  -0.278  -1.891
    9    HB2  ALA   2           2HB      ALA   2   6.182   1.390  -2.215
   10    HB3  ALA   2           3HB      ALA   2   7.496   1.052  -1.088
   11    H    GLY   3           H        GLY   3   5.571   3.095  -0.965
   12    HA2  GLY   3           2HA      GLY   3   4.894   4.790   0.783
   13    HA3  GLY   3           3HA      GLY   3   6.087   3.996   1.800
   14    H    GLN   4           H        GLN   4   5.752   6.775   0.516
   15    HA   GLN   4           HA       GLN   4   8.197   6.955  -1.051
   16    HB2  GLN   4           2HB      GLN   4   5.932   8.233  -1.432
   17    HB3  GLN   4           3HB      GLN   4   6.587   9.340  -0.232
   18    HG2  GLN   4           2HG      GLN   4   8.703   9.184  -1.843
   19    HG3  GLN   4           3HG      GLN   4   7.434   8.836  -3.017
   20   HE21  GLN   4          1HE2      GLN   4   9.089  11.110  -3.065
   21   HE22  GLN   4          2HE2      GLN   4   8.095  12.502  -2.824
   22    H    CYS   5           H        CYS   5  10.075   7.870  -0.385
   23    HA   CYS   5           HA       CYS   5  10.600   8.018   2.395
   24    HB2  CYS   5           2HB      CYS   5  12.300   9.095   0.137
   25    HB3  CYS   5           3HB      CYS   5  12.842   8.681   1.761
   26    H    TYR   6           H        TYR   6  11.334   9.857   3.605
   27    HA   TYR   6           HA       TYR   6  10.010  12.342   2.753
   28    HB2  TYR   6           2HB      TYR   6   9.256  11.221   4.889
   29    HB3  TYR   6           3HB      TYR   6  10.839  11.595   5.561
   30    HD1  TYR   6           HD2      TYR   6  11.533  14.039   5.699
   31    HD2  TYR   6           HD1      TYR   6   7.535  12.818   4.905
   32    HE1  TYR   6           HE2      TYR   6  10.727  16.264   6.367
   33    HE2  TYR   6           HE1      TYR   6   6.718  15.040   5.571
   34    HH   TYR   6           HH       TYR   6   8.446  17.670   5.702
   35    H    ARG   7           H        ARG   7  11.270  13.949   2.120
   36    HA   ARG   7           HA       ARG   7  13.148  15.174   1.684
   37    HB2  ARG   7           2HB      ARG   7  12.479  15.687   4.141
   38    HB3  ARG   7           3HB      ARG   7  13.910  14.754   4.558
   39    HG2  ARG   7           2HG      ARG   7  15.348  16.290   3.508
   40    HG3  ARG   7           3HG      ARG   7  14.013  17.080   2.666
   41    HD2  ARG   7           2HD      ARG   7  13.406  18.297   4.484
   42    HD3  ARG   7           3HD      ARG   7  13.884  17.036   5.620
   43    HE   ARG   7           HE       ARG   7  15.488  19.219   4.689
   44   HH11  ARG   7          1HH1      ARG   7  15.564  15.960   5.911
   45   HH12  ARG   7          2HH1      ARG   7  17.173  16.095   6.541
   46   HH21  ARG   7          1HH2      ARG   7  17.606  19.409   5.514
   47   HH22  ARG   7          2HH2      ARG   7  18.333  18.057   6.315
   48    H    GLY   8           H        GLY   8  13.428  12.358   1.211
   49    HA2  GLY   8           2HA      GLY   8  15.149  11.003   0.479
   50    HA3  GLY   8           3HA      GLY   8  16.285  12.233   1.013
   51    H    ARG   9           H        ARG   9  13.869  10.728   3.073
   52    HA   ARG   9           HA       ARG   9  15.792   8.921   4.258
   53    HB2  ARG   9           2HB      ARG   9  16.312  11.041   5.385
   54    HB3  ARG   9           3HB      ARG   9  14.628  11.199   5.869
   55    HG2  ARG   9           2HG      ARG   9  15.711   8.657   6.695
   56    HG3  ARG   9           3HG      ARG   9  16.682  10.000   7.302
   57    HD2  ARG   9           2HD      ARG   9  13.716  10.161   7.520
   58    HD3  ARG   9           3HD      ARG   9  14.590   9.109   8.633
   59    HE   ARG   9           HE       ARG   9  15.839  11.614   8.609
   60   HH11  ARG   9          1HH1      ARG   9  12.850  10.142   9.617
   61   HH12  ARG   9          2HH1      ARG   9  12.578  11.268  10.905
   62   HH21  ARG   9          1HH2      ARG   9  15.493  13.102  10.303
   63   HH22  ARG   9          2HH2      ARG   9  14.082  12.952  11.294
   64    H    CYS  10           H        CYS  10  14.827   7.193   5.189
   65    HA   CYS  10           HA       CYS  10  11.892   7.176   5.201
   66    HB2  CYS  10           2HB      CYS  10  13.914   4.933   5.091
   67    HB3  CYS  10           3HB      CYS  10  12.182   4.673   5.266
   68    H    SER  11           H        SER  11  11.064   5.422   6.873
   69    HA   SER  11           HA       SER  11  11.485   6.525   9.435
   70    HB2  SER  11           2HB      SER  11  10.298   3.795   8.988
   71    HB3  SER  11           3HB      SER  11   9.874   4.996  10.209
   72    HG   SER  11           HG       SER  11   8.492   5.798   8.859
   73    H    GLY  12           H        GLY  12  12.476   5.664  11.280
   74    HA2  GLY  12           2HA      GLY  12  14.989   4.557  10.986
   75    HA3  GLY  12           3HA      GLY  12  14.060   4.507  12.476
   76    H    GLY  13           H        GLY  13  15.287   2.713   9.840
   77    HA2  GLY  13           2HA      GLY  13  15.473   0.273  10.598
   78    HA3  GLY  13           3HA      GLY  13  13.717   0.350  10.639
   79    H    LEU  14           H        LEU  14  13.437   1.984   8.288
   80    HA   LEU  14           HA       LEU  14  13.868  -0.103   6.292
   81    HB2  LEU  14           2HB      LEU  14  12.140   2.350   6.392
   82    HB3  LEU  14           3HB      LEU  14  12.393   1.452   4.898
   83    HG   LEU  14           HG       LEU  14  11.177   0.318   7.416
   84   HD11  LEU  14          1HD1      LEU  14  10.042   1.783   5.143
   85   HD12  LEU  14          2HD1      LEU  14   9.397   1.515   6.762
   86   HD13  LEU  14          3HD1      LEU  14   9.231   0.265   5.529
   87   HD21  LEU  14          3HD2      LEU  14  10.502  -1.511   5.832
   88   HD22  LEU  14          1HD2      LEU  14  12.228  -1.425   6.189
   89   HD23  LEU  14          2HD2      LEU  14  11.612  -0.806   4.656
   90    H    CYS  15           H        CYS  15  14.239   0.843   3.982
   91    HA   CYS  15           HA       CYS  15  16.325   2.915   4.103
   92    HB2  CYS  15           2HB      CYS  15  16.438   0.257   2.676
   93    HB3  CYS  15           3HB      CYS  15  17.530   1.588   2.311
   94    H    CYS  16           H        CYS  16  16.543   4.221   2.270
   95    HA   CYS  16           HA       CYS  16  14.125   4.456   0.696
   96    HB2  CYS  16           2HB      CYS  16  15.484   6.388   1.743
   97    HB3  CYS  16           3HB      CYS  16  16.579   6.169   0.381
   98    H    SER  17           H        SER  17  13.851   3.723  -1.305
   99    HA   SER  17           HA       SER  17  16.012   2.332  -2.622
  100    HB2  SER  17           2HB      SER  17  14.380   1.427  -4.049
  101    HB3  SER  17           3HB      SER  17  13.529   1.614  -2.516
  102    HG   SER  17           HG       SER  17  12.211   2.918  -3.482
  103    H    LYS  18           H        LYS  18  16.235   2.647  -5.060
  104    HA   LYS  18           HA       LYS  18  17.116   5.306  -5.534
  105    HB2  LYS  18           2HB      LYS  18  17.899   2.988  -6.537
  106    HB3  LYS  18           3HB      LYS  18  16.715   3.375  -7.779
  107    HG2  LYS  18           2HG      LYS  18  17.971   5.027  -8.655
  108    HG3  LYS  18           3HG      LYS  18  18.604   5.528  -7.085
  109    HD2  LYS  18           2HD      LYS  18  19.788   3.135  -7.287
  110    HD3  LYS  18           3HD      LYS  18  19.632   3.519  -9.002
  111    HE2  LYS  18           2HE      LYS  18  20.611   5.730  -7.343
  112    HE3  LYS  18           3HE      LYS  18  21.679   4.328  -7.392
  113    HZ1  LYS  18           3HZ      LYS  18  20.582   5.613  -9.828
  114    HZ2  LYS  18           1HZ      LYS  18  21.823   4.467  -9.734
  115    HZ3  LYS  18           2HZ      LYS  18  22.075   6.035  -9.152
  116    H    TYR  19           H        TYR  19  14.079   3.913  -5.709
  117    HA   TYR  19           HA       TYR  19  13.149   5.730  -7.813
  118    HB2  TYR  19           2HB      TYR  19  12.109   3.205  -6.621
  119    HB3  TYR  19           3HB      TYR  19  10.935   4.362  -7.239
  120    HD1  TYR  19           HD2      TYR  19  13.698   2.112  -8.134
  121    HD2  TYR  19           HD1      TYR  19  10.724   4.776  -9.604
  122    HE1  TYR  19           HE2      TYR  19  14.072   1.263 -10.412
  123    HE2  TYR  19           HE1      TYR  19  11.088   3.933 -11.886
  124    HH   TYR  19           HH       TYR  19  13.583   2.496 -12.939
  125    H    GLY  20           H        GLY  20  13.703   5.954  -4.650
  126    HA2  GLY  20           2HA      GLY  20  13.042   7.655  -3.205
  127    HA3  GLY  20           3HA      GLY  20  11.737   8.054  -4.313
  128    H    TYR  21           H        TYR  21  11.796   4.759  -3.675
  129    HA   TYR  21           HA       TYR  21   9.597   5.071  -1.748
  130    HB2  TYR  21           2HB      TYR  21  10.230   2.750  -3.582
  131    HB3  TYR  21           3HB      TYR  21   8.851   2.848  -2.492
  132    HD1  TYR  21           HD2      TYR  21   7.842   5.534  -2.888
  133    HD2  TYR  21           HD1      TYR  21   9.415   2.805  -5.748
  134    HE1  TYR  21           HE2      TYR  21   6.522   6.630  -4.651
  135    HE2  TYR  21           HE1      TYR  21   8.100   3.893  -7.519
  136    HH   TYR  21           HH       TYR  21   5.747   5.383  -7.412
  137    H    CYS  22           H        CYS  22   9.652   4.093   0.206
  138    HA   CYS  22           HA       CYS  22  12.183   3.145   1.164
  139    HB2  CYS  22           2HB      CYS  22   9.501   3.175   2.564
  140    HB3  CYS  22           3HB      CYS  22  11.074   2.971   3.329
  141    H    GLY  23           H        GLY  23  12.512   1.093   2.249
  142    HA2  GLY  23           2HA      GLY  23  10.798  -1.082   2.218
  143    HA3  GLY  23           3HA      GLY  23  11.625  -1.099   0.667
  144    H    SER  24           H        SER  24  12.536  -3.134   1.301
  145    HA   SER  24           HA       SER  24  14.888  -2.790   3.034
  146    HB2  SER  24           2HB      SER  24  13.033  -4.069   4.180
  147    HB3  SER  24           3HB      SER  24  13.230  -5.318   2.950
  148    HG   SER  24           HG       SER  24  14.995  -4.530   4.991
  149    H    GLY  25           H        GLY  25  16.106  -5.179   2.742
  150    HA2  GLY  25           2HA      GLY  25  17.045  -6.686   1.202
  151    HA3  GLY  25           3HA      GLY  25  16.212  -5.844  -0.096
  152    HA   PRO  26           HA       PRO  26  20.612  -4.515   0.079
  153    HB2  PRO  26           2HB      PRO  26  21.647  -5.837  -2.077
  154    HB3  PRO  26           3HB      PRO  26  21.808  -6.415  -0.431
  155    HG2  PRO  26           2HG      PRO  26  20.039  -7.410  -2.580
  156    HG3  PRO  26           3HG      PRO  26  20.525  -8.211  -1.099
  157    HD2  PRO  26           2HD      PRO  26  17.993  -6.972  -1.628
  158    HD3  PRO  26           3HD      PRO  26  18.521  -7.671  -0.111
  159    H    ALA  27           H        ALA  27  18.263  -4.791  -2.282
  160    HA   ALA  27           HA       ALA  27  19.405  -2.839  -4.063
  161    HB1  ALA  27           1HB      ALA  27  17.988  -4.607  -4.942
  162    HB2  ALA  27           2HB      ALA  27  16.632  -4.022  -3.977
  163    HB3  ALA  27           3HB      ALA  27  17.284  -3.025  -5.277
  164    H    TYR  28           H        TYR  28  17.976  -2.604  -1.094
  165    HA   TYR  28           HA       TYR  28  16.918   0.086  -1.675
  166    HB2  TYR  28           2HB      TYR  28  16.040  -1.984   0.327
  167    HB3  TYR  28           3HB      TYR  28  15.624  -0.284   0.517
  168    HD1  TYR  28           HD1      TYR  28  15.592  -2.807  -2.250
  169    HD2  TYR  28           HD2      TYR  28  13.509   0.276  -0.187
  170    HE1  TYR  28           HE1      TYR  28  13.663  -3.119  -3.744
  171    HE2  TYR  28           HE2      TYR  28  11.573  -0.029  -1.674
  172    HH   TYR  28           HH       TYR  28  11.721  -2.101  -4.480
  173    H    CYS  29           H        CYS  29  18.741  -1.897   0.609
  174    HA   CYS  29           HA       CYS  29  19.600   0.489   2.059
  175    HB2  CYS  29           2HB      CYS  29  19.953  -2.463   2.585
  176    HB3  CYS  29           3HB      CYS  29  20.734  -1.218   3.554
  177    H    GLY  30           H        GLY  30  20.724  -1.784  -0.287
  178    HA2  GLY  30           2HA      GLY  30  22.603  -1.610  -1.639
  179    HA3  GLY  30           3HA      GLY  30  23.138  -0.246  -0.668
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1   3.039   0.136  -2.980
    2    HA   ALA   1           HA       ALA   1   1.600   1.873  -1.289
    3    HB1  ALA   1           1HB      ALA   1   1.312  -1.058  -0.635
    4    HB2  ALA   1           2HB      ALA   1   0.835   0.280   0.411
    5    HB3  ALA   1           3HB      ALA   1   0.019   0.034  -1.132
    6    H    ALA   2           H        ALA   2   4.289   1.441  -2.172
    7    HA   ALA   2           HA       ALA   2   5.831   0.281  -0.063
    8    HB1  ALA   2           1HB      ALA   2   6.631   0.412  -2.391
    9    HB2  ALA   2           2HB      ALA   2   6.728   2.167  -2.238
   10    HB3  ALA   2           3HB      ALA   2   7.759   1.138  -1.245
   11    H    GLY   3           H        GLY   3   5.821   3.660  -1.218
   12    HA2  GLY   3           2HA      GLY   3   5.124   5.336   0.540
   13    HA3  GLY   3           3HA      GLY   3   6.256   4.489   1.584
   14    H    GLN   4           H        GLN   4   6.043   7.302   0.349
   15    HA   GLN   4           HA       GLN   4   8.551   7.449  -1.118
   16    HB2  GLN   4           2HB      GLN   4   6.375   9.421  -0.482
   17    HB3  GLN   4           3HB      GLN   4   7.931   9.963  -1.097
   18    HG2  GLN   4           2HG      GLN   4   7.094   9.666  -3.126
   19    HG3  GLN   4           3HG      GLN   4   7.229   7.934  -2.825
   20   HE21  GLN   4          1HE2      GLN   4   5.415   6.739  -2.503
   21   HE22  GLN   4          2HE2      GLN   4   3.812   7.368  -2.650
   22    H    CYS   5           H        CYS   5  10.426   8.289  -0.358
   23    HA   CYS   5           HA       CYS   5  10.842   8.371   2.443
   24    HB2  CYS   5           2HB      CYS   5  12.662   9.431   0.274
   25    HB3  CYS   5           3HB      CYS   5  13.126   8.980   1.911
   26    H    TYR   6           H        TYR   6  11.588  10.167   3.714
   27    HA   TYR   6           HA       TYR   6  10.368  12.704   2.861
   28    HB2  TYR   6           2HB      TYR   6  10.876  11.535   5.594
   29    HB3  TYR   6           3HB      TYR   6  10.446  13.225   5.355
   30    HD1  TYR   6           HD1      TYR   6   8.414  13.097   3.268
   31    HD2  TYR   6           HD2      TYR   6   9.045  10.524   6.598
   32    HE1  TYR   6           HE1      TYR   6   6.031  12.490   3.243
   33    HE2  TYR   6           HE2      TYR   6   6.663   9.909   6.581
   34    HH   TYR   6           HH       TYR   6   4.784   9.867   4.961
   35    H    ARG   7           H        ARG   7  11.701  14.275   2.288
   36    HA   ARG   7           HA       ARG   7  13.629  15.448   1.937
   37    HB2  ARG   7           2HB      ARG   7  12.876  15.929   4.390
   38    HB3  ARG   7           3HB      ARG   7  14.298  14.988   4.824
   39    HG2  ARG   7           2HG      ARG   7  15.299  16.738   2.974
   40    HG3  ARG   7           3HG      ARG   7  14.088  17.712   3.810
   41    HD2  ARG   7           2HD      ARG   7  15.180  16.717   5.958
   42    HD3  ARG   7           3HD      ARG   7  16.546  16.398   4.889
   43    HE   ARG   7           HE       ARG   7  15.705  19.076   4.603
   44   HH11  ARG   7          1HH1      ARG   7  17.341  16.963   6.834
   45   HH12  ARG   7          2HH1      ARG   7  18.284  18.230   7.545
   46   HH21  ARG   7          1HH2      ARG   7  16.940  20.753   5.532
   47   HH22  ARG   7          2HH2      ARG   7  18.055  20.386   6.805
   48    H    GLY   8           H        GLY   8  13.851  12.640   1.430
   49    HA2  GLY   8           2HA      GLY   8  15.560  11.242   0.754
   50    HA3  GLY   8           3HA      GLY   8  16.708  12.430   1.353
   51    H    ARG   9           H        ARG   9  14.166  10.976   3.292
   52    HA   ARG   9           HA       ARG   9  15.981   9.092   4.527
   53    HB2  ARG   9           2HB      ARG   9  16.186  11.503   5.588
   54    HB3  ARG   9           3HB      ARG   9  14.710  11.025   6.415
   55    HG2  ARG   9           2HG      ARG   9  16.655   8.921   6.575
   56    HG3  ARG   9           3HG      ARG   9  17.344  10.443   7.144
   57    HD2  ARG   9           2HD      ARG   9  14.648   9.493   8.058
   58    HD3  ARG   9           3HD      ARG   9  16.131   8.959   8.847
   59    HE   ARG   9           HE       ARG   9  16.177  11.749   8.693
   60   HH11  ARG   9          1HH1      ARG   9  14.390   9.216  10.277
   61   HH12  ARG   9          2HH1      ARG   9  13.993  10.182  11.659
   62   HH21  ARG   9          1HH2      ARG   9  15.661  13.031  10.508
   63   HH22  ARG   9          2HH2      ARG   9  14.716  12.352  11.790
   64    H    CYS  10           H        CYS  10  14.920   7.373   5.347
   65    HA   CYS  10           HA       CYS  10  11.990   7.455   5.255
   66    HB2  CYS  10           2HB      CYS  10  13.944   5.151   5.203
   67    HB3  CYS  10           3HB      CYS  10  12.199   4.943   5.299
   68    H    SER  11           H        SER  11  11.038   5.706   6.867
   69    HA   SER  11           HA       SER  11  11.379   6.766   9.458
   70    HB2  SER  11           2HB      SER  11  10.042   4.181   8.622
   71    HB3  SER  11           3HB      SER  11   9.842   4.985  10.179
   72    HG   SER  11           HG       SER  11   8.299   5.360   8.245
   73    H    GLY  12           H        GLY  12  12.264   5.855  11.332
   74    HA2  GLY  12           2HA      GLY  12  14.753   4.675  11.133
   75    HA3  GLY  12           3HA      GLY  12  13.758   4.636  12.581
   76    H    GLY  13           H        GLY  13  15.046   2.837   9.977
   77    HA2  GLY  13           2HA      GLY  13  15.124   0.384  10.712
   78    HA3  GLY  13           3HA      GLY  13  13.372   0.513  10.676
   79    H    LEU  14           H        LEU  14  13.241   2.179   8.337
   80    HA   LEU  14           HA       LEU  14  13.703   0.105   6.335
   81    HB2  LEU  14           2HB      LEU  14  12.039   2.603   6.391
   82    HB3  LEU  14           3HB      LEU  14  12.334   1.716   4.897
   83    HG   LEU  14           HG       LEU  14  10.979   0.584   7.344
   84   HD11  LEU  14          1HD1      LEU  14   8.919   0.808   6.175
   85   HD12  LEU  14          2HD1      LEU  14   9.736   1.367   4.716
   86   HD13  LEU  14          3HD1      LEU  14   9.709   2.385   6.156
   87   HD21  LEU  14          3HD2      LEU  14  12.089  -1.137   6.081
   88   HD22  LEU  14          1HD2      LEU  14  11.418  -0.517   4.572
   89   HD23  LEU  14          2HD2      LEU  14  10.353  -1.236   5.781
   90    H    CYS  15           H        CYS  15  14.200   1.069   4.055
   91    HA   CYS  15           HA       CYS  15  16.338   3.077   4.296
   92    HB2  CYS  15           2HB      CYS  15  16.431   0.438   2.833
   93    HB3  CYS  15           3HB      CYS  15  17.576   1.741   2.532
   94    H    CYS  16           H        CYS  16  16.673   4.403   2.495
   95    HA   CYS  16           HA       CYS  16  14.330   4.733   0.825
   96    HB2  CYS  16           2HB      CYS  16  15.696   6.609   1.962
   97    HB3  CYS  16           3HB      CYS  16  16.841   6.382   0.645
   98    H    SER  17           H        SER  17  14.125   4.047  -1.202
   99    HA   SER  17           HA       SER  17  16.299   2.612  -2.447
  100    HB2  SER  17           2HB      SER  17  14.707   1.785  -3.963
  101    HB3  SER  17           3HB      SER  17  13.793   1.972  -2.467
  102    HG   SER  17           HG       SER  17  12.558   3.327  -3.471
  103    H    LYS  18           H        LYS  18  16.646   2.963  -4.864
  104    HA   LYS  18           HA       LYS  18  17.625   5.603  -5.247
  105    HB2  LYS  18           2HB      LYS  18  18.274   4.816  -7.482
  106    HB3  LYS  18           3HB      LYS  18  18.747   3.673  -6.232
  107    HG2  LYS  18           2HG      LYS  18  16.938   2.211  -6.792
  108    HG3  LYS  18           3HG      LYS  18  16.266   3.397  -7.913
  109    HD2  LYS  18           2HD      LYS  18  18.637   3.207  -9.031
  110    HD3  LYS  18           3HD      LYS  18  18.665   1.647  -8.204
  111    HE2  LYS  18           2HE      LYS  18  17.141   0.752  -9.591
  112    HE3  LYS  18           3HE      LYS  18  16.166   2.220  -9.624
  113    HZ1  LYS  18           3HZ      LYS  18  17.180   1.607 -11.790
  114    HZ2  LYS  18           1HZ      LYS  18  18.707   1.900 -11.122
  115    HZ3  LYS  18           2HZ      LYS  18  17.588   3.161 -11.261
  116    H    TYR  19           H        TYR  19  14.561   4.305  -5.588
  117    HA   TYR  19           HA       TYR  19  13.784   6.176  -7.706
  118    HB2  TYR  19           2HB      TYR  19  12.573   3.696  -6.563
  119    HB3  TYR  19           3HB      TYR  19  11.511   4.890  -7.301
  120    HD1  TYR  19           HD2      TYR  19  12.635   5.812  -9.651
  121    HD2  TYR  19           HD1      TYR  19  13.119   1.944  -7.946
  122    HE1  TYR  19           HE2      TYR  19  13.152   4.901 -11.877
  123    HE2  TYR  19           HE1      TYR  19  13.639   1.023 -10.166
  124    HH   TYR  19           HH       TYR  19  13.519   3.053 -13.070
  125    H    GLY  20           H        GLY  20  14.176   6.309  -4.499
  126    HA2  GLY  20           2HA      GLY  20  13.513   8.031  -3.073
  127    HA3  GLY  20           3HA      GLY  20  12.268   8.477  -4.230
  128    H    TYR  21           H        TYR  21  12.193   5.179  -3.649
  129    HA   TYR  21           HA       TYR  21   9.932   5.530  -1.802
  130    HB2  TYR  21           2HB      TYR  21  10.573   3.251  -3.686
  131    HB3  TYR  21           3HB      TYR  21   9.185   3.307  -2.605
  132    HD1  TYR  21           HD1      TYR  21  10.771   5.105  -5.450
  133    HD2  TYR  21           HD2      TYR  21   7.187   4.300  -3.302
  134    HE1  TYR  21           HE1      TYR  21   9.475   6.273  -7.185
  135    HE2  TYR  21           HE2      TYR  21   5.882   5.464  -5.032
  136    HH   TYR  21           HH       TYR  21   7.380   6.622  -7.996
  137    H    CYS  22           H        CYS  22   9.873   4.514   0.134
  138    HA   CYS  22           HA       CYS  22  12.334   3.479   1.180
  139    HB2  CYS  22           2HB      CYS  22   9.597   3.558   2.466
  140    HB3  CYS  22           3HB      CYS  22  11.129   3.298   3.293
  141    H    GLY  23           H        GLY  23  12.555   1.399   2.246
  142    HA2  GLY  23           2HA      GLY  23  10.787  -0.726   2.097
  143    HA3  GLY  23           3HA      GLY  23  11.682  -0.739   0.585
  144    H    SER  24           H        SER  24  12.505  -2.812   1.226
  145    HA   SER  24           HA       SER  24  14.785  -2.563   3.066
  146    HB2  SER  24           2HB      SER  24  12.846  -3.805   4.109
  147    HB3  SER  24           3HB      SER  24  13.061  -5.039   2.868
  148    HG   SER  24           HG       SER  24  14.272  -4.969   5.134
  149    H    GLY  25           H        GLY  25  15.947  -4.982   2.789
  150    HA2  GLY  25           2HA      GLY  25  16.914  -6.490   1.268
  151    HA3  GLY  25           3HA      GLY  25  16.160  -5.608  -0.052
  152    HA   PRO  26           HA       PRO  26  20.582  -4.403   0.333
  153    HB2  PRO  26           2HB      PRO  26  21.674  -5.721  -1.798
  154    HB3  PRO  26           3HB      PRO  26  21.748  -6.327  -0.155
  155    HG2  PRO  26           2HG      PRO  26  20.047  -7.242  -2.393
  156    HG3  PRO  26           3HG      PRO  26  20.447  -8.078  -0.906
  157    HD2  PRO  26           2HD      PRO  26  17.974  -6.762  -1.523
  158    HD3  PRO  26           3HD      PRO  26  18.417  -7.497   0.005
  159    H    ALA  27           H        ALA  27  18.330  -4.579  -2.130
  160    HA   ALA  27           HA       ALA  27  19.600  -2.635  -3.831
  161    HB1  ALA  27           1HB      ALA  27  17.228  -2.673  -4.898
  162    HB2  ALA  27           2HB      ALA  27  18.279  -4.081  -5.052
  163    HB3  ALA  27           3HB      ALA  27  16.982  -4.075  -3.857
  164    H    TYR  28           H        TYR  28  18.053  -2.401  -0.921
  165    HA   TYR  28           HA       TYR  28  17.101   0.327  -1.504
  166    HB2  TYR  28           2HB      TYR  28  16.073  -1.744   0.425
  167    HB3  TYR  28           3HB      TYR  28  15.699  -0.036   0.622
  168    HD1  TYR  28           HD1      TYR  28  15.716  -2.522  -2.179
  169    HD2  TYR  28           HD2      TYR  28  13.637   0.599  -0.170
  170    HE1  TYR  28           HE1      TYR  28  13.848  -2.757  -3.761
  171    HE2  TYR  28           HE2      TYR  28  11.762   0.372  -1.746
  172    HH   TYR  28           HH       TYR  28  11.989  -1.455  -4.621
  173    H    CYS  29           H        CYS  29  18.764  -1.745   0.821
  174    HA   CYS  29           HA       CYS  29  19.626   0.591   2.350
  175    HB2  CYS  29           2HB      CYS  29  19.872  -2.378   2.837
  176    HB3  CYS  29           3HB      CYS  29  20.646  -1.173   3.860
  177    H    GLY  30           H        GLY  30  20.788  -1.678   0.017
  178    HA2  GLY  30           2HA      GLY  30  23.585  -1.201   0.545
  179    HA3  GLY  30           3HA      GLY  30  22.915  -2.108  -0.802
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1   6.966  -2.637   1.871
    2    HA   ALA   1           HA       ALA   1   8.619  -0.412   1.395
    3    HB1  ALA   1           1HB      ALA   1   8.910  -1.502  -0.802
    4    HB2  ALA   1           2HB      ALA   1   7.170  -1.377  -1.067
    5    HB3  ALA   1           3HB      ALA   1   8.146   0.084  -0.919
    6    H    ALA   2           H        ALA   2   7.508   1.175   2.307
    7    HA   ALA   2           HA       ALA   2   4.633   0.997   2.579
    8    HB1  ALA   2           1HB      ALA   2   5.482   1.778   4.547
    9    HB2  ALA   2           2HB      ALA   2   6.780   2.676   3.760
   10    HB3  ALA   2           3HB      ALA   2   5.136   3.313   3.751
   11    H    GLY   3           H        GLY   3   6.592   3.862   1.799
   12    HA2  GLY   3           2HA      GLY   3   5.145   4.257  -0.690
   13    HA3  GLY   3           3HA      GLY   3   4.802   5.431   0.573
   14    H    GLN   4           H        GLN   4   5.749   7.250  -0.130
   15    HA   GLN   4           HA       GLN   4   8.405   7.150  -1.314
   16    HB2  GLN   4           2HB      GLN   4   6.605   9.530  -0.832
   17    HB3  GLN   4           3HB      GLN   4   8.068   9.512  -1.808
   18    HG2  GLN   4           2HG      GLN   4   6.982   7.872  -3.314
   19    HG3  GLN   4           3HG      GLN   4   5.501   8.049  -2.374
   20   HE21  GLN   4          1HE2      GLN   4   4.111   9.177  -3.526
   21   HE22  GLN   4          2HE2      GLN   4   4.451  10.632  -4.392
   22    H    CYS   5           H        CYS   5  10.231   8.079  -0.448
   23    HA   CYS   5           HA       CYS   5  10.422   8.142   2.378
   24    HB2  CYS   5           2HB      CYS   5  12.391   9.180   0.328
   25    HB3  CYS   5           3HB      CYS   5  12.743   8.820   2.016
   26    H    TYR   6           H        TYR   6  11.114   9.946   3.697
   27    HA   TYR   6           HA       TYR   6   9.814  12.435   2.855
   28    HB2  TYR   6           2HB      TYR   6   9.359  11.113   5.095
   29    HB3  TYR   6           3HB      TYR   6  10.785  11.985   5.647
   30    HD1  TYR   6           HD1      TYR   6   7.839  12.935   3.544
   31    HD2  TYR   6           HD2      TYR   6  10.184  13.750   7.000
   32    HE1  TYR   6           HE1      TYR   6   6.443  14.904   4.020
   33    HE2  TYR   6           HE2      TYR   6   8.794  15.720   7.486
   34    HH   TYR   6           HH       TYR   6   6.095  16.305   6.709
   35    H    ARG   7           H        ARG   7  11.038  14.046   2.160
   36    HA   ARG   7           HA       ARG   7  12.883  15.300   1.670
   37    HB2  ARG   7           2HB      ARG   7  12.252  15.799   4.157
   38    HB3  ARG   7           3HB      ARG   7  13.747  14.946   4.518
   39    HG2  ARG   7           2HG      ARG   7  14.881  16.556   2.920
   40    HG3  ARG   7           3HG      ARG   7  13.386  17.492   2.972
   41    HD2  ARG   7           2HD      ARG   7  13.618  17.937   5.267
   42    HD3  ARG   7           3HD      ARG   7  14.831  16.674   5.473
   43    HE   ARG   7           HE       ARG   7  15.938  18.457   3.706
   44   HH11  ARG   7          1HH1      ARG   7  14.673  18.604   6.946
   45   HH12  ARG   7          2HH1      ARG   7  15.723  19.892   7.437
   46   HH21  ARG   7          1HH2      ARG   7  17.325  20.153   4.340
   47   HH22  ARG   7          2HH2      ARG   7  17.230  20.773   5.954
   48    H    GLY   8           H        GLY   8  13.204  12.477   1.239
   49    HA2  GLY   8           2HA      GLY   8  14.942  11.157   0.478
   50    HA3  GLY   8           3HA      GLY   8  16.064  12.406   0.996
   51    H    ARG   9           H        ARG   9  13.697  10.880   3.094
   52    HA   ARG   9           HA       ARG   9  15.656   9.098   4.258
   53    HB2  ARG   9           2HB      ARG   9  15.907  11.477   5.277
   54    HB3  ARG   9           3HB      ARG   9  14.408  11.099   6.114
   55    HG2  ARG   9           2HG      ARG   9  16.341   8.958   6.352
   56    HG3  ARG   9           3HG      ARG   9  16.970  10.494   6.953
   57    HD2  ARG   9           2HD      ARG   9  14.210   9.813   7.748
   58    HD3  ARG   9           3HD      ARG   9  15.485   8.805   8.431
   59    HE   ARG   9           HE       ARG   9  14.940  11.569   9.035
   60   HH11  ARG   9          1HH1      ARG   9  17.310   9.020   9.085
   61   HH12  ARG   9          2HH1      ARG   9  18.252   9.742  10.347
   62   HH21  ARG   9          1HH2      ARG   9  16.171  12.530  10.698
   63   HH22  ARG   9          2HH2      ARG   9  17.602  11.738  11.264
   64    H    CYS  10           H        CYS  10  14.716   7.350   5.159
   65    HA   CYS  10           HA       CYS  10  11.781   7.335   5.280
   66    HB2  CYS  10           2HB      CYS  10  13.750   5.047   5.074
   67    HB3  CYS  10           3HB      CYS  10  12.001   4.863   5.168
   68    H    SER  11           H        SER  11  11.218   5.274   6.884
   69    HA   SER  11           HA       SER  11  12.631   5.652   9.413
   70    HB2  SER  11           2HB      SER  11   9.639   6.030   9.135
   71    HB3  SER  11           3HB      SER  11  10.551   6.069  10.644
   72    HG   SER  11           HG       SER  11  10.297   7.986   8.678
   73    H    GLY  12           H        GLY  12  11.094   4.246  11.112
   74    HA2  GLY  12           2HA      GLY  12  10.571   2.109  11.767
   75    HA3  GLY  12           3HA      GLY  12   9.923   1.887  10.149
   76    H    GLY  13           H        GLY  13  13.241   2.773  10.416
   77    HA2  GLY  13           2HA      GLY  13  15.197   1.572  10.178
   78    HA3  GLY  13           3HA      GLY  13  14.297   0.117  10.581
   79    H    LEU  14           H        LEU  14  13.054   2.027   8.015
   80    HA   LEU  14           HA       LEU  14  13.676  -0.094   6.130
   81    HB2  LEU  14           2HB      LEU  14  11.922   2.342   6.020
   82    HB3  LEU  14           3HB      LEU  14  12.245   1.355   4.595
   83    HG   LEU  14           HG       LEU  14  10.994   0.285   7.120
   84   HD11  LEU  14          1HD1      LEU  14   9.288   0.559   4.773
   85   HD12  LEU  14          2HD1      LEU  14   9.819   2.103   5.438
   86   HD13  LEU  14          3HD1      LEU  14   8.968   0.949   6.463
   87   HD21  LEU  14          3HD2      LEU  14  10.283  -1.530   5.571
   88   HD22  LEU  14          1HD2      LEU  14  12.027  -1.433   5.810
   89   HD23  LEU  14          2HD2      LEU  14  11.305  -0.807   4.328
   90    H    CYS  15           H        CYS  15  14.145   0.743   3.797
   91    HA   CYS  15           HA       CYS  15  16.265   2.784   3.945
   92    HB2  CYS  15           2HB      CYS  15  16.269   0.189   2.394
   93    HB3  CYS  15           3HB      CYS  15  17.466   1.463   2.190
   94    H    CYS  16           H        CYS  16  16.493   4.165   2.196
   95    HA   CYS  16           HA       CYS  16  14.110   4.506   0.597
   96    HB2  CYS  16           2HB      CYS  16  15.637   6.331   1.719
   97    HB3  CYS  16           3HB      CYS  16  16.572   6.170   0.236
   98    H    SER  17           H        SER  17  13.828   3.832  -1.424
   99    HA   SER  17           HA       SER  17  15.956   2.416  -2.766
  100    HB2  SER  17           2HB      SER  17  14.308   1.601  -4.229
  101    HB3  SER  17           3HB      SER  17  13.453   1.769  -2.696
  102    HG   SER  17           HG       SER  17  12.175   3.128  -3.639
  103    H    LYS  18           H        LYS  18  16.208   2.792  -5.192
  104    HA   LYS  18           HA       LYS  18  17.168   5.437  -5.586
  105    HB2  LYS  18           2HB      LYS  18  16.810   3.139  -7.516
  106    HB3  LYS  18           3HB      LYS  18  17.623   4.646  -7.917
  107    HG2  LYS  18           2HG      LYS  18  18.854   3.780  -5.579
  108    HG3  LYS  18           3HG      LYS  18  18.629   2.321  -6.546
  109    HD2  LYS  18           2HD      LYS  18  19.619   3.630  -8.484
  110    HD3  LYS  18           3HD      LYS  18  20.091   4.844  -7.292
  111    HE2  LYS  18           2HE      LYS  18  20.863   2.265  -6.345
  112    HE3  LYS  18           3HE      LYS  18  21.437   2.457  -8.001
  113    HZ1  LYS  18           3HZ      LYS  18  21.957   4.843  -6.679
  114    HZ2  LYS  18           1HZ      LYS  18  23.077   3.691  -7.211
  115    HZ3  LYS  18           2HZ      LYS  18  22.458   3.605  -5.639
  116    H    TYR  19           H        TYR  19  14.094   4.137  -5.821
  117    HA   TYR  19           HA       TYR  19  13.232   6.029  -7.886
  118    HB2  TYR  19           2HB      TYR  19  12.069   3.537  -6.720
  119    HB3  TYR  19           3HB      TYR  19  10.978   4.737  -7.404
  120    HD1  TYR  19           HD1      TYR  19  11.028   5.243  -9.800
  121    HD2  TYR  19           HD2      TYR  19  13.535   2.238  -8.128
  122    HE1  TYR  19           HE1      TYR  19  11.455   4.353 -12.053
  123    HE2  TYR  19           HE2      TYR  19  13.969   1.341 -10.377
  124    HH   TYR  19           HH       TYR  19  13.922   2.153 -12.723
  125    H    GLY  20           H        GLY  20  13.750   6.129  -4.695
  126    HA2  GLY  20           2HA      GLY  20  13.144   7.835  -3.225
  127    HA3  GLY  20           3HA      GLY  20  11.856   8.295  -4.329
  128    H    TYR  21           H        TYR  21  11.818   4.987  -3.762
  129    HA   TYR  21           HA       TYR  21   9.627   5.321  -1.829
  130    HB2  TYR  21           2HB      TYR  21  10.182   3.066  -3.767
  131    HB3  TYR  21           3HB      TYR  21   8.839   3.111  -2.630
  132    HD1  TYR  21           HD2      TYR  21  10.311   4.930  -5.521
  133    HD2  TYR  21           HD1      TYR  21   6.819   4.127  -3.227
  134    HE1  TYR  21           HE2      TYR  21   8.950   6.124  -7.186
  135    HE2  TYR  21           HE1      TYR  21   5.448   5.317  -4.886
  136    HH   TYR  21           HH       TYR  21   5.443   6.503  -6.761
  137    H    CYS  22           H        CYS  22   9.658   4.299   0.100
  138    HA   CYS  22           HA       CYS  22  12.155   3.224   1.016
  139    HB2  CYS  22           2HB      CYS  22   9.504   3.278   2.469
  140    HB3  CYS  22           3HB      CYS  22  11.102   3.101   3.186
  141    H    GLY  23           H        GLY  23  12.429   1.135   2.014
  142    HA2  GLY  23           2HA      GLY  23  10.609  -0.964   1.955
  143    HA3  GLY  23           3HA      GLY  23  11.434  -0.979   0.404
  144    H    SER  24           H        SER  24  12.267  -3.061   0.978
  145    HA   SER  24           HA       SER  24  14.619  -2.863   2.735
  146    HB2  SER  24           2HB      SER  24  12.709  -4.114   3.820
  147    HB3  SER  24           3HB      SER  24  12.872  -5.323   2.547
  148    HG   SER  24           HG       SER  24  14.202  -6.121   4.015
  149    H    GLY  25           H        GLY  25  15.756  -5.279   2.366
  150    HA2  GLY  25           2HA      GLY  25  16.658  -6.761   0.782
  151    HA3  GLY  25           3HA      GLY  25  15.860  -5.850  -0.492
  152    HA   PRO  26           HA       PRO  26  20.299  -4.670  -0.249
  153    HB2  PRO  26           2HB      PRO  26  21.306  -5.953  -2.443
  154    HB3  PRO  26           3HB      PRO  26  21.438  -6.590  -0.816
  155    HG2  PRO  26           2HG      PRO  26  19.651  -7.456  -3.006
  156    HG3  PRO  26           3HG      PRO  26  20.102  -8.321  -1.550
  157    HD2  PRO  26           2HD      PRO  26  17.614  -6.984  -2.051
  158    HD3  PRO  26           3HD      PRO  26  18.110  -7.749  -0.554
  159    H    ALA  27           H        ALA  27  17.957  -4.792  -2.630
  160    HA   ALA  27           HA       ALA  27  19.172  -2.822  -4.341
  161    HB1  ALA  27           1HB      ALA  27  16.954  -2.859  -5.493
  162    HB2  ALA  27           2HB      ALA  27  17.743  -4.432  -5.372
  163    HB3  ALA  27           3HB      ALA  27  16.412  -4.028  -4.288
  164    H    TYR  28           H        TYR  28  17.734  -2.636  -1.372
  165    HA   TYR  28           HA       TYR  28  16.776   0.107  -1.868
  166    HB2  TYR  28           2HB      TYR  28  15.810  -1.995   0.060
  167    HB3  TYR  28           3HB      TYR  28  15.450  -0.288   0.300
  168    HD1  TYR  28           HD2      TYR  28  15.354  -2.724  -2.543
  169    HD2  TYR  28           HD1      TYR  28  13.362   0.366  -0.402
  170    HE1  TYR  28           HE2      TYR  28  13.428  -2.923  -4.060
  171    HE2  TYR  28           HE1      TYR  28  11.430   0.176  -1.912
  172    HH   TYR  28           HH       TYR  28  11.494  -1.972  -4.715
  173    H    CYS  29           H        CYS  29  18.512  -2.016   0.355
  174    HA   CYS  29           HA       CYS  29  19.440   0.286   1.897
  175    HB2  CYS  29           2HB      CYS  29  19.740  -2.692   2.316
  176    HB3  CYS  29           3HB      CYS  29  20.486  -1.483   3.355
  177    H    GLY  30           H        GLY  30  20.506  -1.936  -0.525
  178    HA2  GLY  30           2HA      GLY  30  23.324  -1.439  -0.093
  179    HA3  GLY  30           3HA      GLY  30  22.615  -2.374  -1.402
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1   7.604  -2.638   2.823
    2    HA   ALA   1           HA       ALA   1   8.446   0.013   2.271
    3    HB1  ALA   1           1HB      ALA   1   6.976  -2.102   0.796
    4    HB2  ALA   1           2HB      ALA   1   6.855  -0.445   0.202
    5    HB3  ALA   1           3HB      ALA   1   8.434  -1.214   0.353
    6    H    ALA   2           H        ALA   2   6.945   1.691   1.359
    7    HA   ALA   2           HA       ALA   2   4.236   1.698   2.365
    8    HB1  ALA   2           1HB      ALA   2   5.003   2.476   4.375
    9    HB2  ALA   2           2HB      ALA   2   6.403   3.275   3.659
   10    HB3  ALA   2           3HB      ALA   2   4.802   4.000   3.509
   11    H    GLY   3           H        GLY   3   6.485   4.365   1.667
   12    HA2  GLY   3           2HA      GLY   3   5.284   4.773  -0.950
   13    HA3  GLY   3           3HA      GLY   3   4.955   6.025   0.238
   14    H    GLN   4           H        GLN   4   6.116   7.720  -0.457
   15    HA   GLN   4           HA       GLN   4   8.836   7.333  -1.414
   16    HB2  GLN   4           2HB      GLN   4   7.121   9.815  -1.223
   17    HB3  GLN   4           3HB      GLN   4   8.739   9.767  -1.911
   18    HG2  GLN   4           2HG      GLN   4   7.644   7.862  -3.391
   19    HG3  GLN   4           3HG      GLN   4   6.178   8.761  -3.003
   20   HE21  GLN   4          1HE2      GLN   4   5.841   9.500  -5.065
   21   HE22  GLN   4          2HE2      GLN   4   6.863  10.666  -5.828
   22    H    CYS   5           H        CYS   5  10.663   8.254  -0.479
   23    HA   CYS   5           HA       CYS   5  10.682   8.346   2.354
   24    HB2  CYS   5           2HB      CYS   5  12.809   9.263   0.407
   25    HB3  CYS   5           3HB      CYS   5  13.048   8.944   2.121
   26    H    TYR   6           H        TYR   6  11.379  10.143   3.688
   27    HA   TYR   6           HA       TYR   6  10.214  12.663   2.753
   28    HB2  TYR   6           2HB      TYR   6  10.980  11.890   5.573
   29    HB3  TYR   6           3HB      TYR   6  10.010  13.274   5.080
   30    HD1  TYR   6           HD2      TYR   6   7.854  12.615   3.654
   31    HD2  TYR   6           HD1      TYR   6   9.872  10.030   6.366
   32    HE1  TYR   6           HE2      TYR   6   5.809  11.268   3.884
   33    HE2  TYR   6           HE1      TYR   6   7.832   8.676   6.602
   34    HH   TYR   6           HH       TYR   6   5.604   8.616   6.193
   35    H    ARG   7           H        ARG   7  11.516  14.227   2.096
   36    HA   ARG   7           HA       ARG   7  13.421  15.411   1.666
   37    HB2  ARG   7           2HB      ARG   7  12.718  15.997   4.094
   38    HB3  ARG   7           3HB      ARG   7  14.119  15.044   4.564
   39    HG2  ARG   7           2HG      ARG   7  15.467  16.540   3.018
   40    HG3  ARG   7           3HG      ARG   7  14.046  17.584   2.971
   41    HD2  ARG   7           2HD      ARG   7  14.554  16.929   5.682
   42    HD3  ARG   7           3HD      ARG   7  16.082  17.425   4.954
   43    HE   ARG   7           HE       ARG   7  14.221  19.299   4.164
   44   HH11  ARG   7          1HH1      ARG   7  15.511  18.113   7.173
   45   HH12  ARG   7          2HH1      ARG   7  15.295  19.616   8.008
   46   HH21  ARG   7          1HH2      ARG   7  13.932  21.282   5.253
   47   HH22  ARG   7          2HH2      ARG   7  14.395  21.417   6.915
   48    H    GLY   8           H        GLY   8  13.657  12.569   1.283
   49    HA2  GLY   8           2HA      GLY   8  15.375  11.181   0.600
   50    HA3  GLY   8           3HA      GLY   8  16.520  12.398   1.144
   51    H    ARG   9           H        ARG   9  14.026  10.974   3.167
   52    HA   ARG   9           HA       ARG   9  15.883   9.148   4.427
   53    HB2  ARG   9           2HB      ARG   9  16.266  11.448   5.456
   54    HB3  ARG   9           3HB      ARG   9  14.647  11.308   6.127
   55    HG2  ARG   9           2HG      ARG   9  15.309   9.914   7.740
   56    HG3  ARG   9           3HG      ARG   9  16.338   8.986   6.647
   57    HD2  ARG   9           2HD      ARG   9  18.162  10.049   7.351
   58    HD3  ARG   9           3HD      ARG   9  17.416  11.623   7.083
   59    HE   ARG   9           HE       ARG   9  17.633  10.203   9.581
   60   HH11  ARG   9          1HH1      ARG   9  15.931  12.665   7.802
   61   HH12  ARG   9          2HH1      ARG   9  15.382  13.495   9.221
   62   HH21  ARG   9          1HH2      ARG   9  16.917  11.286  11.456
   63   HH22  ARG   9          2HH2      ARG   9  15.945  12.710  11.299
   64    H    CYS  10           H        CYS  10  14.858   7.447   5.331
   65    HA   CYS  10           HA       CYS  10  11.919   7.527   5.346
   66    HB2  CYS  10           2HB      CYS  10  13.811   5.171   5.196
   67    HB3  CYS  10           3HB      CYS  10  12.055   5.050   5.235
   68    H    SER  11           H        SER  11  11.245   5.480   6.930
   69    HA   SER  11           HA       SER  11  12.594   5.816   9.500
   70    HB2  SER  11           2HB      SER  11   9.599   6.122   9.322
   71    HB3  SER  11           3HB      SER  11  10.654   6.482  10.688
   72    HG   SER  11           HG       SER  11  10.697   8.428   9.919
   73    H    GLY  12           H        GLY  12  10.964   4.457  11.151
   74    HA2  GLY  12           2HA      GLY  12  10.368   2.335  11.790
   75    HA3  GLY  12           3HA      GLY  12   9.749   2.135  10.157
   76    H    GLY  13           H        GLY  13  13.082   2.923  10.465
   77    HA2  GLY  13           2HA      GLY  13  15.007   1.669  10.256
   78    HA3  GLY  13           3HA      GLY  13  14.067   0.245  10.679
   79    H    LEU  14           H        LEU  14  12.949   2.182   8.058
   80    HA   LEU  14           HA       LEU  14  13.473  -0.005   6.221
   81    HB2  LEU  14           2HB      LEU  14  11.861   2.521   6.052
   82    HB3  LEU  14           3HB      LEU  14  12.161   1.514   4.637
   83    HG   LEU  14           HG       LEU  14  10.802   0.521   7.137
   84   HD11  LEU  14          1HD1      LEU  14   9.735   2.416   5.545
   85   HD12  LEU  14          2HD1      LEU  14   8.790   1.186   6.384
   86   HD13  LEU  14          3HD1      LEU  14   9.227   0.959   4.691
   87   HD21  LEU  14          3HD2      LEU  14  11.235  -0.598   4.381
   88   HD22  LEU  14          1HD2      LEU  14   9.987  -1.209   5.467
   89   HD23  LEU  14          2HD2      LEU  14  11.685  -1.301   5.936
   90    H    CYS  15           H        CYS  15  14.019   0.773   3.878
   91    HA   CYS  15           HA       CYS  15  16.267   2.672   4.035
   92    HB2  CYS  15           2HB      CYS  15  16.115   0.076   2.491
   93    HB3  CYS  15           3HB      CYS  15  17.402   1.263   2.310
   94    H    CYS  16           H        CYS  16  16.599   4.028   2.285
   95    HA   CYS  16           HA       CYS  16  14.264   4.511   0.655
   96    HB2  CYS  16           2HB      CYS  16  15.935   6.225   1.787
   97    HB3  CYS  16           3HB      CYS  16  16.813   6.020   0.275
   98    H    SER  17           H        SER  17  13.962   3.835  -1.362
   99    HA   SER  17           HA       SER  17  16.014   2.284  -2.672
  100    HB2  SER  17           2HB      SER  17  14.334   1.556  -4.145
  101    HB3  SER  17           3HB      SER  17  13.476   1.789  -2.622
  102    HG   SER  17           HG       SER  17  12.292   3.214  -3.590
  103    H    LYS  18           H        LYS  18  16.308   2.625  -5.099
  104    HA   LYS  18           HA       LYS  18  17.431   5.204  -5.502
  105    HB2  LYS  18           2HB      LYS  18  18.050   2.863  -6.534
  106    HB3  LYS  18           3HB      LYS  18  16.897   3.333  -7.776
  107    HG2  LYS  18           2HG      LYS  18  18.226   5.007  -8.576
  108    HG3  LYS  18           3HG      LYS  18  19.019   5.272  -7.022
  109    HD2  LYS  18           2HD      LYS  18  19.881   2.793  -7.510
  110    HD3  LYS  18           3HD      LYS  18  19.643   3.330  -9.174
  111    HE2  LYS  18           2HE      LYS  18  21.081   5.138  -7.302
  112    HE3  LYS  18           3HE      LYS  18  21.929   3.710  -7.894
  113    HZ1  LYS  18           3HZ      LYS  18  21.553   4.426 -10.146
  114    HZ2  LYS  18           1HZ      LYS  18  22.295   5.679  -9.285
  115    HZ3  LYS  18           2HZ      LYS  18  20.640   5.751  -9.624
  116    H    TYR  19           H        TYR  19  14.286   4.091  -5.757
  117    HA   TYR  19           HA       TYR  19  13.559   6.020  -7.840
  118    HB2  TYR  19           2HB      TYR  19  12.231   3.610  -6.672
  119    HB3  TYR  19           3HB      TYR  19  11.228   4.868  -7.386
  120    HD1  TYR  19           HD2      TYR  19  12.263   5.708  -9.772
  121    HD2  TYR  19           HD1      TYR  19  12.728   1.843  -8.054
  122    HE1  TYR  19           HE2      TYR  19  12.674   4.770 -12.008
  123    HE2  TYR  19           HE1      TYR  19  13.142   0.895 -10.286
  124    HH   TYR  19           HH       TYR  19  14.083   2.386 -12.772
  125    H    GLY  20           H        GLY  20  14.052   6.107  -4.647
  126    HA2  GLY  20           2HA      GLY  20  13.532   7.852  -3.190
  127    HA3  GLY  20           3HA      GLY  20  12.284   8.381  -4.308
  128    H    TYR  21           H        TYR  21  12.034   5.087  -3.740
  129    HA   TYR  21           HA       TYR  21   9.850   5.557  -1.829
  130    HB2  TYR  21           2HB      TYR  21  10.299   3.262  -3.748
  131    HB3  TYR  21           3HB      TYR  21   8.950   3.387  -2.625
  132    HD1  TYR  21           HD2      TYR  21  10.550   5.110  -5.508
  133    HD2  TYR  21           HD1      TYR  21   6.994   4.506  -3.250
  134    HE1  TYR  21           HE2      TYR  21   9.273   6.367  -7.193
  135    HE2  TYR  21           HE1      TYR  21   5.708   5.761  -4.929
  136    HH   TYR  21           HH       TYR  21   6.081   6.250  -7.544
  137    H    CYS  22           H        CYS  22   9.794   4.543   0.105
  138    HA   CYS  22           HA       CYS  22  12.216   3.340   1.063
  139    HB2  CYS  22           2HB      CYS  22   9.550   3.549   2.474
  140    HB3  CYS  22           3HB      CYS  22  11.124   3.283   3.218
  141    H    GLY  23           H        GLY  23  12.363   1.243   2.071
  142    HA2  GLY  23           2HA      GLY  23  10.433  -0.754   1.999
  143    HA3  GLY  23           3HA      GLY  23  11.275  -0.822   0.458
  144    H    SER  24           H        SER  24  11.980  -2.946   1.061
  145    HA   SER  24           HA       SER  24  14.321  -2.865   2.840
  146    HB2  SER  24           2HB      SER  24  12.333  -4.000   3.913
  147    HB3  SER  24           3HB      SER  24  12.441  -5.226   2.649
  148    HG   SER  24           HG       SER  24  13.720  -6.092   4.117
  149    H    GLY  25           H        GLY  25  15.326  -5.343   2.500
  150    HA2  GLY  25           2HA      GLY  25  16.159  -6.885   0.936
  151    HA3  GLY  25           3HA      GLY  25  15.430  -5.939  -0.353
  152    HA   PRO  26           HA       PRO  26  19.926  -5.013  -0.062
  153    HB2  PRO  26           2HB      PRO  26  20.884  -6.364  -2.236
  154    HB3  PRO  26           3HB      PRO  26  20.959  -6.998  -0.604
  155    HG2  PRO  26           2HG      PRO  26  19.152  -7.773  -2.812
  156    HG3  PRO  26           3HG      PRO  26  19.535  -8.654  -1.346
  157    HD2  PRO  26           2HD      PRO  26  17.134  -7.180  -1.885
  158    HD3  PRO  26           3HD      PRO  26  17.567  -7.963  -0.378
  159    H    ALA  27           H        ALA  27  17.612  -5.017  -2.474
  160    HA   ALA  27           HA       ALA  27  18.958  -3.127  -4.177
  161    HB1  ALA  27           1HB      ALA  27  16.687  -3.025  -5.300
  162    HB2  ALA  27           2HB      ALA  27  17.487  -4.597  -5.284
  163    HB3  ALA  27           3HB      ALA  27  16.176  -4.263  -4.153
  164    H    TYR  28           H        TYR  28  17.496  -2.844  -1.229
  165    HA   TYR  28           HA       TYR  28  16.696  -0.056  -1.752
  166    HB2  TYR  28           2HB      TYR  28  15.592  -2.089   0.175
  167    HB3  TYR  28           3HB      TYR  28  15.324  -0.364   0.401
  168    HD1  TYR  28           HD2      TYR  28  15.128  -2.808  -2.430
  169    HD2  TYR  28           HD1      TYR  28  13.285   0.401  -0.331
  170    HE1  TYR  28           HE2      TYR  28  13.213  -2.908  -3.970
  171    HE2  TYR  28           HE1      TYR  28  11.364   0.309  -1.864
  172    HH   TYR  28           HH       TYR  28  10.286  -1.243  -3.373
  173    H    CYS  29           H        CYS  29  18.286  -2.257   0.504
  174    HA   CYS  29           HA       CYS  29  19.319  -0.002   2.047
  175    HB2  CYS  29           2HB      CYS  29  19.473  -2.990   2.484
  176    HB3  CYS  29           3HB      CYS  29  20.238  -1.804   3.536
  177    H    GLY  30           H        GLY  30  20.293  -2.294  -0.350
  178    HA2  GLY  30           2HA      GLY  30  22.206  -2.211  -1.671
  179    HA3  GLY  30           3HA      GLY  30  22.848  -0.961  -0.616
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1   7.446  -2.577   0.618
    2    HA   ALA   1           HA       ALA   1   8.357   0.007   1.250
    3    HB1  ALA   1           1HB      ALA   1   7.865   0.551  -1.090
    4    HB2  ALA   1           2HB      ALA   1   8.710  -0.990  -0.939
    5    HB3  ALA   1           3HB      ALA   1   6.974  -0.963  -1.249
    6    H    ALA   2           H        ALA   2   7.294   1.605   2.199
    7    HA   ALA   2           HA       ALA   2   4.404   1.584   2.344
    8    HB1  ALA   2           1HB      ALA   2   6.560   3.226   3.612
    9    HB2  ALA   2           2HB      ALA   2   4.876   3.748   3.680
   10    HB3  ALA   2           3HB      ALA   2   5.347   2.195   4.372
   11    H    GLY   3           H        GLY   3   6.554   4.355   1.750
   12    HA2  GLY   3           2HA      GLY   3   5.197   4.926  -0.764
   13    HA3  GLY   3           3HA      GLY   3   4.947   6.090   0.528
   14    H    GLN   4           H        GLN   4   6.056   7.835  -0.130
   15    HA   GLN   4           HA       GLN   4   8.709   7.527  -1.284
   16    HB2  GLN   4           2HB      GLN   4   7.050  10.007  -0.800
   17    HB3  GLN   4           3HB      GLN   4   8.583   9.961  -1.659
   18    HG2  GLN   4           2HG      GLN   4   7.672   8.810  -3.470
   19    HG3  GLN   4           3HG      GLN   4   6.249   8.315  -2.555
   20   HE21  GLN   4          1HE2      GLN   4   4.563   9.223  -3.499
   21   HE22  GLN   4          2HE2      GLN   4   4.423  10.888  -3.937
   22    H    CYS   5           H        CYS   5  10.592   8.391  -0.408
   23    HA   CYS   5           HA       CYS   5  10.793   8.300   2.417
   24    HB2  CYS   5           2HB      CYS   5  12.824   9.436   0.489
   25    HB3  CYS   5           3HB      CYS   5  13.127   8.804   2.105
   26    H    TYR   6           H        TYR   6  11.440   9.980   3.859
   27    HA   TYR   6           HA       TYR   6  10.437  12.621   3.039
   28    HB2  TYR   6           2HB      TYR   6  10.652  11.383   5.791
   29    HB3  TYR   6           3HB      TYR   6  10.107  13.027   5.473
   30    HD1  TYR   6           HD1      TYR   6   8.266  12.893   3.335
   31    HD2  TYR   6           HD2      TYR   6   8.898  10.032   6.419
   32    HE1  TYR   6           HE1      TYR   6   5.965  12.078   3.041
   33    HE2  TYR   6           HE2      TYR   6   6.599   9.207   6.134
   34    HH   TYR   6           HH       TYR   6   4.325  10.813   3.984
   35    H    ARG   7           H        ARG   7  11.895  14.157   2.737
   36    HA   ARG   7           HA       ARG   7  13.905  15.243   2.689
   37    HB2  ARG   7           2HB      ARG   7  12.905  15.699   5.016
   38    HB3  ARG   7           3HB      ARG   7  14.105  14.560   5.613
   39    HG2  ARG   7           2HG      ARG   7  15.829  15.990   5.289
   40    HG3  ARG   7           3HG      ARG   7  15.086  16.739   3.874
   41    HD2  ARG   7           2HD      ARG   7  13.372  17.654   5.618
   42    HD3  ARG   7           3HD      ARG   7  14.660  17.316   6.773
   43    HE   ARG   7           HE       ARG   7  15.836  19.098   5.938
   44   HH11  ARG   7          1HH1      ARG   7  13.242  18.301   3.757
   45   HH12  ARG   7          2HH1      ARG   7  13.461  19.712   2.775
   46   HH21  ARG   7          1HH2      ARG   7  16.133  20.959   4.653
   47   HH22  ARG   7          2HH2      ARG   7  15.106  21.222   3.285
   48    H    GLY   8           H        GLY   8  14.055  12.454   2.041
   49    HA2  GLY   8           2HA      GLY   8  15.745  10.981   1.507
   50    HA3  GLY   8           3HA      GLY   8  16.883  12.104   2.237
   51    H    ARG   9           H        ARG   9  14.112  10.650   3.854
   52    HA   ARG   9           HA       ARG   9  15.787   8.735   5.246
   53    HB2  ARG   9           2HB      ARG   9  14.416  11.007   6.692
   54    HB3  ARG   9           3HB      ARG   9  15.083   9.587   7.486
   55    HG2  ARG   9           2HG      ARG   9  17.307  10.168   6.714
   56    HG3  ARG   9           3HG      ARG   9  16.657  11.559   5.844
   57    HD2  ARG   9           2HD      ARG   9  15.719  12.243   8.168
   58    HD3  ARG   9           3HD      ARG   9  16.930  11.123   8.792
   59    HE   ARG   9           HE       ARG   9  18.196  12.830   6.988
   60   HH11  ARG   9          1HH1      ARG   9  16.597  12.989  10.076
   61   HH12  ARG   9          2HH1      ARG   9  17.523  14.343  10.633
   62   HH21  ARG   9          1HH2      ARG   9  19.423  14.613   7.709
   63   HH22  ARG   9          2HH2      ARG   9  19.130  15.266   9.285
   64    H    CYS  10           H        CYS  10  14.674   6.950   5.776
   65    HA   CYS  10           HA       CYS  10  11.762   7.016   5.396
   66    HB2  CYS  10           2HB      CYS  10  13.776   4.775   5.210
   67    HB3  CYS  10           3HB      CYS  10  12.038   4.495   5.216
   68    H    SER  11           H        SER  11  10.837   4.913   6.694
   69    HA   SER  11           HA       SER  11  10.789   5.729   9.394
   70    HB2  SER  11           2HB      SER  11   8.969   4.478   8.128
   71    HB3  SER  11           3HB      SER  11   9.925   3.018   8.379
   72    HG   SER  11           HG       SER  11   8.229   4.168  10.057
   73    H    GLY  12           H        GLY  12  11.413   4.495  11.279
   74    HA2  GLY  12           2HA      GLY  12  14.104   3.698  11.238
   75    HA3  GLY  12           3HA      GLY  12  12.982   3.420  12.562
   76    H    GLY  13           H        GLY  13  14.531   2.060   9.776
   77    HA2  GLY  13           2HA      GLY  13  14.949  -0.415  10.220
   78    HA3  GLY  13           3HA      GLY  13  13.196  -0.519  10.294
   79    H    LEU  14           H        LEU  14  13.059   1.572   8.111
   80    HA   LEU  14           HA       LEU  14  13.306  -0.324   5.905
   81    HB2  LEU  14           2HB      LEU  14  11.861   2.285   6.249
   82    HB3  LEU  14           3HB      LEU  14  12.051   1.529   4.668
   83    HG   LEU  14           HG       LEU  14  10.626   0.316   7.036
   84   HD11  LEU  14          1HD1      LEU  14   9.631   2.337   5.703
   85   HD12  LEU  14          2HD1      LEU  14   8.626   0.946   6.109
   86   HD13  LEU  14          3HD1      LEU  14   9.300   1.103   4.487
   87   HD21  LEU  14          3HD2      LEU  14  11.760  -0.893   4.750
   88   HD22  LEU  14          1HD2      LEU  14  10.011  -0.887   4.524
   89   HD23  LEU  14          2HD2      LEU  14  10.711  -1.624   5.965
   90    H    CYS  15           H        CYS  15  13.845   0.810   3.718
   91    HA   CYS  15           HA       CYS  15  16.105   2.654   4.078
   92    HB2  CYS  15           2HB      CYS  15  16.083   0.102   2.462
   93    HB3  CYS  15           3HB      CYS  15  17.303   1.356   2.269
   94    H    CYS  16           H        CYS  16  16.504   4.065   2.363
   95    HA   CYS  16           HA       CYS  16  14.196   4.614   0.714
   96    HB2  CYS  16           2HB      CYS  16  15.725   6.328   1.919
   97    HB3  CYS  16           3HB      CYS  16  16.809   6.091   0.552
   98    H    SER  17           H        SER  17  13.917   3.980  -1.317
   99    HA   SER  17           HA       SER  17  15.995   2.489  -2.656
  100    HB2  SER  17           2HB      SER  17  14.334   1.787  -4.161
  101    HB3  SER  17           3HB      SER  17  13.460   1.969  -2.640
  102    HG   SER  17           HG       SER  17  12.272   3.413  -3.575
  103    H    LYS  18           H        LYS  18  16.303   2.905  -5.070
  104    HA   LYS  18           HA       LYS  18  17.403   5.504  -5.388
  105    HB2  LYS  18           2HB      LYS  18  17.115   3.088  -7.124
  106    HB3  LYS  18           3HB      LYS  18  17.554   4.619  -7.870
  107    HG2  LYS  18           2HG      LYS  18  19.524   4.783  -6.507
  108    HG3  LYS  18           3HG      LYS  18  19.053   3.351  -5.588
  109    HD2  LYS  18           2HD      LYS  18  19.319   3.110  -8.543
  110    HD3  LYS  18           3HD      LYS  18  20.792   3.211  -7.575
  111    HE2  LYS  18           2HE      LYS  18  18.920   1.375  -6.387
  112    HE3  LYS  18           3HE      LYS  18  19.223   0.945  -8.070
  113    HZ1  LYS  18           3HZ      LYS  18  21.151   1.133  -5.843
  114    HZ2  LYS  18           1HZ      LYS  18  21.669   1.222  -7.451
  115    HZ3  LYS  18           2HZ      LYS  18  20.871  -0.161  -6.895
  116    H    TYR  19           H        TYR  19  14.270   4.370  -5.699
  117    HA   TYR  19           HA       TYR  19  13.541   6.362  -7.723
  118    HB2  TYR  19           2HB      TYR  19  12.263   3.876  -6.683
  119    HB3  TYR  19           3HB      TYR  19  11.215   5.151  -7.295
  120    HD1  TYR  19           HD1      TYR  19  11.281   5.788  -9.660
  121    HD2  TYR  19           HD2      TYR  19  13.672   2.601  -8.167
  122    HE1  TYR  19           HE1      TYR  19  11.668   5.009 -11.961
  123    HE2  TYR  19           HE2      TYR  19  14.067   1.814 -10.464
  124    HH   TYR  19           HH       TYR  19  13.628   2.117 -12.615
  125    H    GLY  20           H        GLY  20  14.035   6.389  -4.548
  126    HA2  GLY  20           2HA      GLY  20  13.466   8.048  -3.021
  127    HA3  GLY  20           3HA      GLY  20  12.231   8.613  -4.137
  128    H    TYR  21           H        TYR  21  12.017   5.291  -3.672
  129    HA   TYR  21           HA       TYR  21   9.789   5.680  -1.792
  130    HB2  TYR  21           2HB      TYR  21  10.288   3.417  -3.737
  131    HB3  TYR  21           3HB      TYR  21   8.891   3.566  -2.677
  132    HD1  TYR  21           HD2      TYR  21   7.625   5.917  -2.933
  133    HD2  TYR  21           HD1      TYR  21  10.025   4.080  -5.927
  134    HE1  TYR  21           HE2      TYR  21   6.445   7.208  -4.663
  135    HE2  TYR  21           HE1      TYR  21   8.853   5.366  -7.665
  136    HH   TYR  21           HH       TYR  21   6.776   6.531  -8.008
  137    H    CYS  22           H        CYS  22   9.700   4.589   0.103
  138    HA   CYS  22           HA       CYS  22  12.120   3.394   1.074
  139    HB2  CYS  22           2HB      CYS  22   9.408   3.541   2.407
  140    HB3  CYS  22           3HB      CYS  22  10.945   3.202   3.195
  141    H    GLY  23           H        GLY  23  12.272   1.265   2.024
  142    HA2  GLY  23           2HA      GLY  23  10.392  -0.765   1.831
  143    HA3  GLY  23           3HA      GLY  23  11.261  -0.758   0.303
  144    H    SER  24           H        SER  24  11.991  -2.893   0.845
  145    HA   SER  24           HA       SER  24  14.308  -2.832   2.655
  146    HB2  SER  24           2HB      SER  24  12.328  -4.025   3.676
  147    HB3  SER  24           3HB      SER  24  12.463  -5.212   2.379
  148    HG   SER  24           HG       SER  24  14.371  -4.603   4.384
  149    H    GLY  25           H        GLY  25  15.351  -5.286   2.256
  150    HA2  GLY  25           2HA      GLY  25  16.217  -6.773   0.654
  151    HA3  GLY  25           3HA      GLY  25  15.495  -5.793  -0.614
  152    HA   PRO  26           HA       PRO  26  19.978  -4.835  -0.232
  153    HB2  PRO  26           2HB      PRO  26  20.978  -6.108  -2.434
  154    HB3  PRO  26           3HB      PRO  26  21.038  -6.792  -0.822
  155    HG2  PRO  26           2HG      PRO  26  19.268  -7.514  -3.077
  156    HG3  PRO  26           3HG      PRO  26  19.640  -8.437  -1.635
  157    HD2  PRO  26           2HD      PRO  26  17.232  -6.970  -2.160
  158    HD3  PRO  26           3HD      PRO  26  17.653  -7.796  -0.673
  159    H    ALA  27           H        ALA  27  17.698  -4.788  -2.678
  160    HA   ALA  27           HA       ALA  27  19.049  -2.829  -4.299
  161    HB1  ALA  27           1HB      ALA  27  16.145  -3.623  -4.410
  162    HB2  ALA  27           2HB      ALA  27  17.103  -2.858  -5.679
  163    HB3  ALA  27           3HB      ALA  27  17.443  -4.521  -5.199
  164    H    TYR  28           H        TYR  28  17.539  -2.656  -1.367
  165    HA   TYR  28           HA       TYR  28  16.705   0.135  -1.817
  166    HB2  TYR  28           2HB      TYR  28  15.609  -1.973   0.033
  167    HB3  TYR  28           3HB      TYR  28  15.315  -0.261   0.312
  168    HD1  TYR  28           HD2      TYR  28  15.189  -2.609  -2.603
  169    HD2  TYR  28           HD1      TYR  28  13.269   0.494  -0.414
  170    HE1  TYR  28           HE2      TYR  28  13.292  -2.686  -4.167
  171    HE2  TYR  28           HE1      TYR  28  11.366   0.424  -1.971
  172    HH   TYR  28           HH       TYR  28  10.348  -1.380  -3.552
  173    H    CYS  29           H        CYS  29  18.296  -2.109   0.399
  174    HA   CYS  29           HA       CYS  29  19.282   0.118   2.012
  175    HB2  CYS  29           2HB      CYS  29  19.429  -2.878   2.374
  176    HB3  CYS  29           3HB      CYS  29  20.220  -1.732   3.451
  177    H    GLY  30           H        GLY  30  20.313  -2.100  -0.428
  178    HA2  GLY  30           2HA      GLY  30  23.136  -1.767   0.083
  179    HA3  GLY  30           3HA      GLY  30  22.412  -2.596  -1.287
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1   7.311   0.324  -0.849
    2    HA   ALA   1           HA       ALA   1   6.444  -2.056   0.315
    3    HB1  ALA   1           1HB      ALA   1   7.253  -1.736   2.647
    4    HB2  ALA   1           2HB      ALA   1   8.524  -2.161   1.499
    5    HB3  ALA   1           3HB      ALA   1   8.351  -0.493   2.047
    6    H    ALA   2           H        ALA   2   7.052   1.028   1.974
    7    HA   ALA   2           HA       ALA   2   4.229   1.293   2.550
    8    HB1  ALA   2           1HB      ALA   2   4.947   3.309   3.819
    9    HB2  ALA   2           2HB      ALA   2   5.758   1.824   4.318
   10    HB3  ALA   2           3HB      ALA   2   6.603   2.991   3.301
   11    H    GLY   3           H        GLY   3   6.496   3.820   1.491
   12    HA2  GLY   3           2HA      GLY   3   5.026   4.364  -0.917
   13    HA3  GLY   3           3HA      GLY   3   4.699   5.533   0.353
   14    H    GLN   4           H        GLN   4   5.720   7.333  -0.277
   15    HA   GLN   4           HA       GLN   4   8.378   7.172  -1.449
   16    HB2  GLN   4           2HB      GLN   4   6.763   9.658  -0.884
   17    HB3  GLN   4           3HB      GLN   4   8.123   9.491  -1.987
   18    HG2  GLN   4           2HG      GLN   4   6.338   7.625  -2.922
   19    HG3  GLN   4           3HG      GLN   4   5.299   8.952  -2.406
   20   HE21  GLN   4          1HE2      GLN   4   4.705   9.640  -4.407
   21   HE22  GLN   4          2HE2      GLN   4   5.801  10.339  -5.545
   22    H    CYS   5           H        CYS   5  10.225   8.066  -0.564
   23    HA   CYS   5           HA       CYS   5  10.421   8.014   2.263
   24    HB2  CYS   5           2HB      CYS   5  12.420   9.161   0.306
   25    HB3  CYS   5           3HB      CYS   5  12.744   8.601   1.943
   26    H    TYR   6           H        TYR   6  11.061   9.736   3.675
   27    HA   TYR   6           HA       TYR   6   9.862  12.297   2.894
   28    HB2  TYR   6           2HB      TYR   6   9.109  11.003   4.976
   29    HB3  TYR   6           3HB      TYR   6  10.643  11.489   5.691
   30    HD1  TYR   6           HD2      TYR   6   8.082  13.266   3.620
   31    HD2  TYR   6           HD1      TYR   6  10.329  13.172   7.232
   32    HE1  TYR   6           HE2      TYR   6   7.083  15.411   4.291
   33    HE2  TYR   6           HE1      TYR   6   9.335  15.316   7.913
   34    HH   TYR   6           HH       TYR   6   7.188  17.113   5.757
   35    H    ARG   7           H        ARG   7  11.178  13.879   2.313
   36    HA   ARG   7           HA       ARG   7  13.084  15.093   1.981
   37    HB2  ARG   7           2HB      ARG   7  12.317  15.609   4.389
   38    HB3  ARG   7           3HB      ARG   7  13.673  14.607   4.890
   39    HG2  ARG   7           2HG      ARG   7  15.217  16.083   3.731
   40    HG3  ARG   7           3HG      ARG   7  13.867  17.072   3.171
   41    HD2  ARG   7           2HD      ARG   7  13.339  17.742   5.399
   42    HD3  ARG   7           3HD      ARG   7  14.470  16.573   6.079
   43    HE   ARG   7           HE       ARG   7  16.183  18.045   5.685
   44   HH11  ARG   7          1HH1      ARG   7  13.350  19.076   3.943
   45   HH12  ARG   7          2HH1      ARG   7  14.029  20.602   3.483
   46   HH21  ARG   7          1HH2      ARG   7  17.087  20.052   5.086
   47   HH22  ARG   7          2HH2      ARG   7  16.154  21.156   4.133
   48    H    GLY   8           H        GLY   8  13.361  12.285   1.469
   49    HA2  GLY   8           2HA      GLY   8  15.110  10.940   0.781
   50    HA3  GLY   8           3HA      GLY   8  16.227  12.136   1.418
   51    H    ARG   9           H        ARG   9  13.683  10.616   3.299
   52    HA   ARG   9           HA       ARG   9  15.506   8.734   4.525
   53    HB2  ARG   9           2HB      ARG   9  15.712  11.101   5.634
   54    HB3  ARG   9           3HB      ARG   9  14.190  10.663   6.399
   55    HG2  ARG   9           2HG      ARG   9  15.542   9.831   7.987
   56    HG3  ARG   9           3HG      ARG   9  15.622   8.442   6.902
   57    HD2  ARG   9           2HD      ARG   9  17.771   8.827   6.372
   58    HD3  ARG   9           3HD      ARG   9  17.538  10.573   6.289
   59    HE   ARG   9           HE       ARG   9  18.569   9.097   8.487
   60   HH11  ARG   9          1HH1      ARG   9  16.639  11.877   7.672
   61   HH12  ARG   9          2HH1      ARG   9  17.010  12.727   9.135
   62   HH21  ARG   9          1HH2      ARG   9  19.065  10.206  10.418
   63   HH22  ARG   9          2HH2      ARG   9  18.391  11.775  10.696
   64    H    CYS  10           H        CYS  10  14.457   6.987   5.295
   65    HA   CYS  10           HA       CYS  10  11.526   7.041   5.183
   66    HB2  CYS  10           2HB      CYS  10  13.502   4.757   5.083
   67    HB3  CYS  10           3HB      CYS  10  11.758   4.532   5.161
   68    H    SER  11           H        SER  11  10.574   5.254   6.744
   69    HA   SER  11           HA       SER  11  10.902   6.243   9.365
   70    HB2  SER  11           2HB      SER  11   8.850   5.085   8.319
   71    HB3  SER  11           3HB      SER  11   9.659   3.573   8.729
   72    HG   SER  11           HG       SER  11   8.870   5.639  10.506
   73    H    GLY  12           H        GLY  12  11.793   5.296  11.213
   74    HA2  GLY  12           2HA      GLY  12  14.281   4.120  10.988
   75    HA3  GLY  12           3HA      GLY  12  13.286   4.049  12.435
   76    H    GLY  13           H        GLY  13  14.574   2.307   9.794
   77    HA2  GLY  13           2HA      GLY  13  14.646  -0.163  10.483
   78    HA3  GLY  13           3HA      GLY  13  12.895  -0.029  10.432
   79    H    LEU  14           H        LEU  14  12.797   1.689   8.126
   80    HA   LEU  14           HA       LEU  14  13.272  -0.345   6.086
   81    HB2  LEU  14           2HB      LEU  14  11.618   2.159   6.178
   82    HB3  LEU  14           3HB      LEU  14  11.928   1.305   4.668
   83    HG   LEU  14           HG       LEU  14  10.538   0.125   7.072
   84   HD11  LEU  14          1HD1      LEU  14   8.528   0.240   5.596
   85   HD12  LEU  14          2HD1      LEU  14   9.460   1.257   4.499
   86   HD13  LEU  14          3HD1      LEU  14   9.127   1.807   6.141
   87   HD21  LEU  14          3HD2      LEU  14   9.855  -1.484   5.089
   88   HD22  LEU  14          1HD2      LEU  14  11.339  -1.729   6.010
   89   HD23  LEU  14          2HD2      LEU  14  11.400  -0.939   4.434
   90    H    CYS  15           H        CYS  15  13.797   0.667   3.833
   91    HA   CYS  15           HA       CYS  15  15.951   2.649   4.145
   92    HB2  CYS  15           2HB      CYS  15  16.018   0.040   2.630
   93    HB3  CYS  15           3HB      CYS  15  17.161   1.343   2.320
   94    H    CYS  16           H        CYS  16  16.333   4.005   2.365
   95    HA   CYS  16           HA       CYS  16  13.996   4.428   0.704
   96    HB2  CYS  16           2HB      CYS  16  15.385   6.248   1.901
   97    HB3  CYS  16           3HB      CYS  16  16.532   6.041   0.582
   98    H    SER  17           H        SER  17  13.786   3.783  -1.334
   99    HA   SER  17           HA       SER  17  15.952   2.367  -2.616
  100    HB2  SER  17           2HB      SER  17  14.354   1.584  -4.148
  101    HB3  SER  17           3HB      SER  17  13.439   1.745  -2.649
  102    HG   SER  17           HG       SER  17  12.218   3.135  -3.623
  103    H    LYS  18           H        LYS  18  16.303   2.776  -5.022
  104    HA   LYS  18           HA       LYS  18  17.296   5.418  -5.340
  105    HB2  LYS  18           2HB      LYS  18  18.043   3.115  -6.406
  106    HB3  LYS  18           3HB      LYS  18  16.936   3.601  -7.684
  107    HG2  LYS  18           2HG      LYS  18  18.324   5.179  -8.459
  108    HG3  LYS  18           3HG      LYS  18  18.813   5.688  -6.842
  109    HD2  LYS  18           2HD      LYS  18  19.959   3.236  -6.975
  110    HD3  LYS  18           3HD      LYS  18  20.040   3.731  -8.667
  111    HE2  LYS  18           2HE      LYS  18  22.021   4.571  -7.839
  112    HE3  LYS  18           3HE      LYS  18  20.952   5.963  -7.682
  113    HZ1  LYS  18           3HZ      LYS  18  20.858   5.752  -5.417
  114    HZ2  LYS  18           1HZ      LYS  18  22.440   5.223  -5.702
  115    HZ3  LYS  18           2HZ      LYS  18  21.208   4.097  -5.429
  116    H    TYR  19           H        TYR  19  14.225   4.145  -5.715
  117    HA   TYR  19           HA       TYR  19  13.460   6.084  -7.778
  118    HB2  TYR  19           2HB      TYR  19  12.279   3.548  -6.753
  119    HB3  TYR  19           3HB      TYR  19  11.177   4.771  -7.373
  120    HD1  TYR  19           HD2      TYR  19  11.575   5.637  -9.744
  121    HD2  TYR  19           HD1      TYR  19  13.429   2.125  -8.217
  122    HE1  TYR  19           HE2      TYR  19  12.024   4.882 -12.041
  123    HE2  TYR  19           HE1      TYR  19  13.885   1.361 -10.510
  124    HH   TYR  19           HH       TYR  19  13.905   3.215 -13.094
  125    H    GLY  20           H        GLY  20  13.879   6.170  -4.595
  126    HA2  GLY  20           2HA      GLY  20  13.200   7.817  -3.101
  127    HA3  GLY  20           3HA      GLY  20  11.968   8.315  -4.252
  128    H    TYR  21           H        TYR  21  11.878   4.995  -3.764
  129    HA   TYR  21           HA       TYR  21   9.592   5.305  -1.941
  130    HB2  TYR  21           2HB      TYR  21  10.241   3.018  -3.812
  131    HB3  TYR  21           3HB      TYR  21   8.792   3.165  -2.823
  132    HD1  TYR  21           HD2      TYR  21   7.701   5.698  -3.200
  133    HD2  TYR  21           HD1      TYR  21   9.850   3.380  -6.048
  134    HE1  TYR  21           HE2      TYR  21   6.574   6.905  -5.023
  135    HE2  TYR  21           HE1      TYR  21   8.730   4.581  -7.879
  136    HH   TYR  21           HH       TYR  21   6.074   6.130  -7.709
  137    H    CYS  22           H        CYS  22   9.498   4.230  -0.036
  138    HA   CYS  22           HA       CYS  22  11.944   3.168   1.020
  139    HB2  CYS  22           2HB      CYS  22   9.188   3.204   2.267
  140    HB3  CYS  22           3HB      CYS  22  10.711   2.935   3.108
  141    H    GLY  23           H        GLY  23  12.160   1.060   2.019
  142    HA2  GLY  23           2HA      GLY  23  10.396  -1.062   1.795
  143    HA3  GLY  23           3HA      GLY  23  11.302  -1.030   0.290
  144    H    SER  24           H        SER  24  12.119  -3.122   0.880
  145    HA   SER  24           HA       SER  24  14.393  -2.922   2.734
  146    HB2  SER  24           2HB      SER  24  12.448  -4.182   3.744
  147    HB3  SER  24           3HB      SER  24  12.663  -5.388   2.476
  148    HG   SER  24           HG       SER  24  13.770  -5.835   4.500
  149    H    GLY  25           H        GLY  25  15.548  -5.338   2.404
  150    HA2  GLY  25           2HA      GLY  25  16.506  -6.817   0.848
  151    HA3  GLY  25           3HA      GLY  25  15.770  -5.891  -0.452
  152    HA   PRO  26           HA       PRO  26  20.199  -4.737  -0.005
  153    HB2  PRO  26           2HB      PRO  26  21.293  -6.004  -2.165
  154    HB3  PRO  26           3HB      PRO  26  21.351  -6.657  -0.540
  155    HG2  PRO  26           2HG      PRO  26  19.657  -7.492  -2.814
  156    HG3  PRO  26           3HG      PRO  26  20.040  -8.374  -1.349
  157    HD2  PRO  26           2HD      PRO  26  17.583  -7.018  -1.944
  158    HD3  PRO  26           3HD      PRO  26  18.009  -7.801  -0.435
  159    H    ALA  27           H        ALA  27  17.967  -4.828  -2.492
  160    HA   ALA  27           HA       ALA  27  19.265  -2.842  -4.123
  161    HB1  ALA  27           1HB      ALA  27  17.154  -2.880  -5.416
  162    HB2  ALA  27           2HB      ALA  27  17.865  -4.480  -5.198
  163    HB3  ALA  27           3HB      ALA  27  16.479  -3.990  -4.223
  164    H    TYR  28           H        TYR  28  17.692  -2.684  -1.223
  165    HA   TYR  28           HA       TYR  28  16.749   0.061  -1.738
  166    HB2  TYR  28           2HB      TYR  28  15.709  -2.060   0.128
  167    HB3  TYR  28           3HB      TYR  28  15.337  -0.357   0.373
  168    HD1  TYR  28           HD2      TYR  28  15.365  -2.754  -2.505
  169    HD2  TYR  28           HD1      TYR  28  13.275   0.297  -0.401
  170    HE1  TYR  28           HE2      TYR  28  13.503  -2.937  -4.102
  171    HE2  TYR  28           HE1      TYR  28  11.406   0.121  -1.991
  172    HH   TYR  28           HH       TYR  28  10.718  -2.236  -3.767
  173    H    CYS  29           H        CYS  29  18.394  -2.074   0.544
  174    HA   CYS  29           HA       CYS  29  19.252   0.220   2.137
  175    HB2  CYS  29           2HB      CYS  29  19.484  -2.762   2.548
  176    HB3  CYS  29           3HB      CYS  29  20.264  -1.589   3.604
  177    H    GLY  30           H        GLY  30  20.425  -1.994  -0.245
  178    HA2  GLY  30           2HA      GLY  30  23.220  -1.507   0.311
  179    HA3  GLY  30           3HA      GLY  30  22.565  -2.419  -1.042
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1   4.510   3.328   4.886
    2    HA   ALA   1           HA       ALA   1   7.289   3.719   5.183
    3    HB1  ALA   1           1HB      ALA   1   6.174   1.427   6.796
    4    HB2  ALA   1           2HB      ALA   1   7.880   1.813   6.562
    5    HB3  ALA   1           3HB      ALA   1   6.841   2.917   7.463
    6    H    ALA   2           H        ALA   2   6.349   3.504   2.880
    7    HA   ALA   2           HA       ALA   2   7.351   1.130   1.747
    8    HB1  ALA   2           1HB      ALA   2   5.223   0.228   0.818
    9    HB2  ALA   2           2HB      ALA   2   5.377   0.050   2.566
   10    HB3  ALA   2           3HB      ALA   2   4.347   1.315   1.896
   11    H    GLY   3           H        GLY   3   5.228   3.918   1.417
   12    HA2  GLY   3           2HA      GLY   3   5.316   4.039  -1.426
   13    HA3  GLY   3           3HA      GLY   3   4.828   5.339  -0.349
   14    H    GLN   4           H        GLN   4   5.943   7.082  -0.949
   15    HA   GLN   4           HA       GLN   4   8.713   6.828  -1.802
   16    HB2  GLN   4           2HB      GLN   4   7.059   8.275  -3.020
   17    HB3  GLN   4           3HB      GLN   4   7.033   9.330  -1.614
   18    HG2  GLN   4           2HG      GLN   4   9.516   9.594  -1.903
   19    HG3  GLN   4           3HG      GLN   4   9.342   8.762  -3.447
   20   HE21  GLN   4          1HE2      GLN   4   8.788  11.676  -1.684
   21   HE22  GLN   4          2HE2      GLN   4   8.279  12.642  -3.023
   22    H    CYS   5           H        CYS   5  10.450   7.898  -0.825
   23    HA   CYS   5           HA       CYS   5  10.383   7.974   2.008
   24    HB2  CYS   5           2HB      CYS   5  12.502   9.101   0.167
   25    HB3  CYS   5           3HB      CYS   5  12.701   8.684   1.866
   26    H    TYR   6           H        TYR   6  10.863   9.795   3.380
   27    HA   TYR   6           HA       TYR   6   9.700  12.288   2.336
   28    HB2  TYR   6           2HB      TYR   6   8.467  11.245   4.198
   29    HB3  TYR   6           3HB      TYR   6   9.913  11.330   5.199
   30    HD1  TYR   6           HD1      TYR   6   8.074  13.735   2.995
   31    HD2  TYR   6           HD2      TYR   6   9.774  12.957   6.817
   32    HE1  TYR   6           HE1      TYR   6   7.421  15.987   3.737
   33    HE2  TYR   6           HE2      TYR   6   9.124  15.206   7.570
   34    HH   TYR   6           HH       TYR   6   7.182  17.334   5.541
   35    H    ARG   7           H        ARG   7  11.105  13.843   1.910
   36    HA   ARG   7           HA       ARG   7  13.034  15.065   1.873
   37    HB2  ARG   7           2HB      ARG   7  11.799  15.595   4.134
   38    HB3  ARG   7           3HB      ARG   7  13.188  14.786   4.847
   39    HG2  ARG   7           2HG      ARG   7  14.682  16.376   3.744
   40    HG3  ARG   7           3HG      ARG   7  13.284  17.190   3.037
   41    HD2  ARG   7           2HD      ARG   7  12.787  18.256   4.951
   42    HD3  ARG   7           3HD      ARG   7  13.137  16.840   5.941
   43    HE   ARG   7           HE       ARG   7  15.568  17.824   5.028
   44   HH11  ARG   7          1HH1      ARG   7  12.936  18.874   7.051
   45   HH12  ARG   7          2HH1      ARG   7  13.932  19.884   8.046
   46   HH21  ARG   7          1HH2      ARG   7  16.889  19.151   6.330
   47   HH22  ARG   7          2HH2      ARG   7  16.180  20.042   7.634
   48    H    GLY   8           H        GLY   8  13.500  12.339   1.440
   49    HA2  GLY   8           2HA      GLY   8  15.327  10.956   1.215
   50    HA3  GLY   8           3HA      GLY   8  16.293  12.203   1.990
   51    H    ARG   9           H        ARG   9  13.457  10.757   3.459
   52    HA   ARG   9           HA       ARG   9  15.118   9.069   5.165
   53    HB2  ARG   9           2HB      ARG   9  14.843  11.377   6.212
   54    HB3  ARG   9           3HB      ARG   9  13.137  10.986   6.384
   55    HG2  ARG   9           2HG      ARG   9  13.721   9.055   7.766
   56    HG3  ARG   9           3HG      ARG   9  15.430   9.460   7.600
   57    HD2  ARG   9           2HD      ARG   9  14.619  11.794   8.507
   58    HD3  ARG   9           3HD      ARG   9  13.288  10.833   9.149
   59    HE   ARG   9           HE       ARG   9  15.510   9.472   9.924
   60   HH11  ARG   9          1HH1      ARG   9  14.430  12.763  10.272
   61   HH12  ARG   9          2HH1      ARG   9  15.249  13.010  11.779
   62   HH21  ARG   9          1HH2      ARG   9  16.592   9.785  11.908
   63   HH22  ARG   9          2HH2      ARG   9  16.479  11.316  12.708
   64    H    CYS  10           H        CYS  10  14.134   7.215   5.760
   65    HA   CYS  10           HA       CYS  10  11.368   6.837   4.856
   66    HB2  CYS  10           2HB      CYS  10  13.641   4.926   5.365
   67    HB3  CYS  10           3HB      CYS  10  11.982   4.364   5.187
   68    H    SER  11           H        SER  11  10.426   4.814   6.264
   69    HA   SER  11           HA       SER  11  10.175   5.935   8.945
   70    HB2  SER  11           2HB      SER  11   8.512   4.165   7.224
   71    HB3  SER  11           3HB      SER  11   8.372   3.959   8.970
   72    HG   SER  11           HG       SER  11   8.269   6.545   7.898
   73    H    GLY  12           H        GLY  12  10.331   4.643  10.842
   74    HA2  GLY  12           2HA      GLY  12  11.488   3.198  12.205
   75    HA3  GLY  12           3HA      GLY  12  11.016   1.979  11.030
   76    H    GLY  13           H        GLY  13  12.611   0.913  10.065
   77    HA2  GLY  13           2HA      GLY  13  15.242   2.244   9.875
   78    HA3  GLY  13           3HA      GLY  13  15.083   0.567  10.379
   79    H    LEU  14           H        LEU  14  13.108   1.967   7.857
   80    HA   LEU  14           HA       LEU  14  13.936  -0.048   6.001
   81    HB2  LEU  14           2HB      LEU  14  12.086   2.307   5.854
   82    HB3  LEU  14           3HB      LEU  14  12.483   1.366   4.417
   83    HG   LEU  14           HG       LEU  14  11.127   0.320   6.902
   84   HD11  LEU  14          1HD1      LEU  14   9.189   0.057   5.394
   85   HD12  LEU  14          2HD1      LEU  14  10.081   0.916   4.139
   86   HD13  LEU  14          3HD1      LEU  14   9.650   1.742   5.636
   87   HD21  LEU  14          3HD2      LEU  14  10.822  -1.451   4.760
   88   HD22  LEU  14          1HD2      LEU  14  11.782  -1.689   6.220
   89   HD23  LEU  14          2HD2      LEU  14  12.531  -1.012   4.773
   90    H    CYS  15           H        CYS  15  14.362   0.767   3.635
   91    HA   CYS  15           HA       CYS  15  16.453   2.840   3.748
   92    HB2  CYS  15           2HB      CYS  15  16.469   0.175   2.336
   93    HB3  CYS  15           3HB      CYS  15  17.563   1.480   1.888
   94    H    CYS  16           H        CYS  16  16.733   4.128   1.894
   95    HA   CYS  16           HA       CYS  16  14.302   4.440   0.331
   96    HB2  CYS  16           2HB      CYS  16  15.793   6.307   1.460
   97    HB3  CYS  16           3HB      CYS  16  16.703   6.183  -0.042
   98    H    SER  17           H        SER  17  14.058   3.797  -1.708
   99    HA   SER  17           HA       SER  17  16.224   2.414  -3.025
  100    HB2  SER  17           2HB      SER  17  14.609   1.581  -4.513
  101    HB3  SER  17           3HB      SER  17  13.727   1.737  -2.994
  102    HG   SER  17           HG       SER  17  12.455   3.098  -3.944
  103    H    LYS  18           H        LYS  18  16.517   2.806  -5.439
  104    HA   LYS  18           HA       LYS  18  17.439   5.468  -5.807
  105    HB2  LYS  18           2HB      LYS  18  17.077   3.415  -7.985
  106    HB3  LYS  18           3HB      LYS  18  18.230   4.742  -7.932
  107    HG2  LYS  18           2HG      LYS  18  19.707   3.252  -7.208
  108    HG3  LYS  18           3HG      LYS  18  18.835   3.282  -5.673
  109    HD2  LYS  18           2HD      LYS  18  18.500   1.095  -5.978
  110    HD3  LYS  18           3HD      LYS  18  17.346   1.554  -7.232
  111    HE2  LYS  18           2HE      LYS  18  18.815   1.102  -8.938
  112    HE3  LYS  18           3HE      LYS  18  20.236   1.388  -7.934
  113    HZ1  LYS  18           3HZ      LYS  18  19.756  -0.699  -6.774
  114    HZ2  LYS  18           1HZ      LYS  18  20.023  -0.945  -8.426
  115    HZ3  LYS  18           2HZ      LYS  18  18.448  -0.980  -7.810
  116    H    TYR  19           H        TYR  19  14.393   4.115  -6.106
  117    HA   TYR  19           HA       TYR  19  13.538   6.003  -8.179
  118    HB2  TYR  19           2HB      TYR  19  12.447   3.456  -7.090
  119    HB3  TYR  19           3HB      TYR  19  11.294   4.645  -7.685
  120    HD1  TYR  19           HD1      TYR  19  11.730   5.570 -10.076
  121    HD2  TYR  19           HD2      TYR  19  13.443   1.975  -8.577
  122    HE1  TYR  19           HE1      TYR  19  12.124   4.804 -12.380
  123    HE2  TYR  19           HE2      TYR  19  13.843   1.200 -10.877
  124    HH   TYR  19           HH       TYR  19  12.391   2.298 -13.465
  125    H    GLY  20           H        GLY  20  14.014   6.133  -4.997
  126    HA2  GLY  20           2HA      GLY  20  13.339   7.808  -3.527
  127    HA3  GLY  20           3HA      GLY  20  12.061   8.245  -4.652
  128    H    TYR  21           H        TYR  21  12.050   4.940  -4.126
  129    HA   TYR  21           HA       TYR  21   9.820   5.222  -2.233
  130    HB2  TYR  21           2HB      TYR  21  10.480   2.905  -4.062
  131    HB3  TYR  21           3HB      TYR  21   9.046   3.055  -3.053
  132    HD1  TYR  21           HD2      TYR  21   7.889   5.544  -3.482
  133    HD2  TYR  21           HD1      TYR  21  10.060   3.210  -6.300
  134    HE1  TYR  21           HE2      TYR  21   6.711   6.677  -5.319
  135    HE2  TYR  21           HE1      TYR  21   8.889   4.338  -8.145
  136    HH   TYR  21           HH       TYR  21   6.795   7.083  -7.587
  137    H    CYS  22           H        CYS  22   9.816   4.197  -0.301
  138    HA   CYS  22           HA       CYS  22  12.316   3.218   0.704
  139    HB2  CYS  22           2HB      CYS  22   9.576   3.314   1.985
  140    HB3  CYS  22           3HB      CYS  22  11.072   2.919   2.825
  141    H    GLY  23           H        GLY  23  12.554   1.140   1.819
  142    HA2  GLY  23           2HA      GLY  23  10.860  -1.027   1.665
  143    HA3  GLY  23           3HA      GLY  23  11.725  -1.013   0.136
  144    H    SER  24           H        SER  24  12.614  -3.065   0.747
  145    HA   SER  24           HA       SER  24  14.933  -2.766   2.528
  146    HB2  SER  24           2HB      SER  24  13.043  -4.029   3.639
  147    HB3  SER  24           3HB      SER  24  13.250  -5.275   2.408
  148    HG   SER  24           HG       SER  24  15.317  -4.372   4.130
  149    H    GLY  25           H        GLY  25  16.117  -5.178   2.239
  150    HA2  GLY  25           2HA      GLY  25  17.064  -6.683   0.706
  151    HA3  GLY  25           3HA      GLY  25  16.257  -5.827  -0.600
  152    HA   PRO  26           HA       PRO  26  20.668  -4.550  -0.370
  153    HB2  PRO  26           2HB      PRO  26  21.706  -5.863  -2.529
  154    HB3  PRO  26           3HB      PRO  26  21.845  -6.460  -0.887
  155    HG2  PRO  26           2HG      PRO  26  20.083  -7.411  -3.062
  156    HG3  PRO  26           3HG      PRO  26  20.545  -8.233  -1.585
  157    HD2  PRO  26           2HD      PRO  26  18.034  -6.957  -2.125
  158    HD3  PRO  26           3HD      PRO  26  18.539  -7.677  -0.609
  159    H    ALA  27           H        ALA  27  18.335  -4.770  -2.750
  160    HA   ALA  27           HA       ALA  27  19.517  -2.821  -4.508
  161    HB1  ALA  27           1HB      ALA  27  17.475  -2.997  -5.784
  162    HB2  ALA  27           2HB      ALA  27  18.029  -4.610  -5.333
  163    HB3  ALA  27           3HB      ALA  27  16.688  -3.863  -4.465
  164    H    TYR  28           H        TYR  28  18.069  -2.589  -1.545
  165    HA   TYR  28           HA       TYR  28  17.075   0.128  -2.106
  166    HB2  TYR  28           2HB      TYR  28  16.125  -1.944  -0.139
  167    HB3  TYR  28           3HB      TYR  28  15.743  -0.238   0.064
  168    HD1  TYR  28           HD2      TYR  28  15.690  -2.737  -2.725
  169    HD2  TYR  28           HD1      TYR  28  13.653   0.380  -0.665
  170    HE1  TYR  28           HE2      TYR  28  13.775  -2.991  -4.247
  171    HE2  TYR  28           HE1      TYR  28  11.732   0.133  -2.181
  172    HH   TYR  28           HH       TYR  28  11.809  -1.284  -5.033
  173    H    CYS  29           H        CYS  29  18.834  -1.922   0.165
  174    HA   CYS  29           HA       CYS  29  19.717   0.421   1.669
  175    HB2  CYS  29           2HB      CYS  29  20.007  -2.547   2.135
  176    HB3  CYS  29           3HB      CYS  29  20.824  -1.343   3.127
  177    H    GLY  30           H        GLY  30  20.833  -1.827  -0.708
  178    HA2  GLY  30           2HA      GLY  30  23.639  -1.312  -0.276
  179    HA3  GLY  30           3HA      GLY  30  22.934  -2.220  -1.606
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1   3.609  -0.749  -4.709
    2    HA   ALA   1           HA       ALA   1   2.890   1.705  -3.548
    3    HB1  ALA   1           1HB      ALA   1   0.645   0.483  -3.633
    4    HB2  ALA   1           2HB      ALA   1   1.298  -0.539  -2.352
    5    HB3  ALA   1           3HB      ALA   1   1.130   1.197  -2.095
    6    H    ALA   2           H        ALA   2   4.072   2.075  -1.734
    7    HA   ALA   2           HA       ALA   2   5.043  -0.051  -0.068
    8    HB1  ALA   2           1HB      ALA   2   6.635  -0.372  -1.804
    9    HB2  ALA   2           2HB      ALA   2   6.945   1.361  -1.925
   10    HB3  ALA   2           3HB      ALA   2   7.460   0.471  -0.492
   11    H    GLY   3           H        GLY   3   5.459   3.330  -1.068
   12    HA2  GLY   3           2HA      GLY   3   4.718   4.917   0.753
   13    HA3  GLY   3           3HA      GLY   3   5.839   4.030   1.776
   14    H    GLN   4           H        GLN   4   5.626   6.897   0.670
   15    HA   GLN   4           HA       GLN   4   8.157   7.129  -0.747
   16    HB2  GLN   4           2HB      GLN   4   6.070   8.464  -1.329
   17    HB3  GLN   4           3HB      GLN   4   6.361   9.382   0.143
   18    HG2  GLN   4           2HG      GLN   4   8.275  10.366  -0.688
   19    HG3  GLN   4           3HG      GLN   4   8.527   9.100  -1.890
   20   HE21  GLN   4          1HE2      GLN   4   7.513   9.229  -3.848
   21   HE22  GLN   4          2HE2      GLN   4   6.628  10.618  -4.370
   22    H    CYS   5           H        CYS   5  10.009   7.972   0.076
   23    HA   CYS   5           HA       CYS   5  10.388   7.910   2.884
   24    HB2  CYS   5           2HB      CYS   5  12.194   9.056   0.744
   25    HB3  CYS   5           3HB      CYS   5  12.670   8.662   2.392
   26    H    TYR   6           H        TYR   6  11.845   9.937   3.724
   27    HA   TYR   6           HA       TYR   6  10.301  12.384   3.197
   28    HB2  TYR   6           2HB      TYR   6  10.823  11.035   5.818
   29    HB3  TYR   6           3HB      TYR   6  10.697  12.790   5.764
   30    HD1  TYR   6           HD1      TYR   6   8.576  13.856   5.064
   31    HD2  TYR   6           HD2      TYR   6   8.893   9.645   5.581
   32    HE1  TYR   6           HE1      TYR   6   6.123  13.687   5.137
   33    HE2  TYR   6           HE2      TYR   6   6.441   9.464   5.655
   34    HH   TYR   6           HH       TYR   6   4.503  10.929   6.195
   35    H    ARG   7           H        ARG   7  11.632  13.900   2.488
   36    HA   ARG   7           HA       ARG   7  13.546  15.065   2.045
   37    HB2  ARG   7           2HB      ARG   7  12.872  15.650   4.483
   38    HB3  ARG   7           3HB      ARG   7  14.271  14.684   4.934
   39    HG2  ARG   7           2HG      ARG   7  15.659  16.156   3.470
   40    HG3  ARG   7           3HG      ARG   7  14.240  17.183   3.262
   41    HD2  ARG   7           2HD      ARG   7  14.209  17.790   5.526
   42    HD3  ARG   7           3HD      ARG   7  15.270  16.458   5.985
   43    HE   ARG   7           HE       ARG   7  17.082  17.753   5.438
   44   HH11  ARG   7          1HH1      ARG   7  14.194  19.203   4.143
   45   HH12  ARG   7          2HH1      ARG   7  14.986  20.669   3.669
   46   HH21  ARG   7          1HH2      ARG   7  18.136  19.679   4.819
   47   HH22  ARG   7          2HH2      ARG   7  17.228  20.938   4.054
   48    H    GLY   8           H        GLY   8  13.738  12.205   1.681
   49    HA2  GLY   8           2HA      GLY   8  15.445  10.818   0.955
   50    HA3  GLY   8           3HA      GLY   8  16.606  12.008   1.525
   51    H    ARG   9           H        ARG   9  14.085  10.604   3.523
   52    HA   ARG   9           HA       ARG   9  15.900   8.718   4.753
   53    HB2  ARG   9           2HB      ARG   9  15.128  11.293   6.038
   54    HB3  ARG   9           3HB      ARG   9  15.199   9.857   7.052
   55    HG2  ARG   9           2HG      ARG   9  17.370  10.232   7.273
   56    HG3  ARG   9           3HG      ARG   9  17.552   9.792   5.573
   57    HD2  ARG   9           2HD      ARG   9  17.228  12.121   4.926
   58    HD3  ARG   9           3HD      ARG   9  17.002  12.569   6.616
   59    HE   ARG   9           HE       ARG   9  19.496  11.262   6.199
   60   HH11  ARG   9          1HH1      ARG   9  17.845  14.304   5.830
   61   HH12  ARG   9          2HH1      ARG   9  19.292  15.251   5.928
   62   HH21  ARG   9          1HH2      ARG   9  21.409  12.497   6.330
   63   HH22  ARG   9          2HH2      ARG   9  21.319  14.222   6.212
   64    H    CYS  10           H        CYS  10  14.835   7.022   5.612
   65    HA   CYS  10           HA       CYS  10  11.901   7.155   5.607
   66    HB2  CYS  10           2HB      CYS  10  13.771   4.779   5.502
   67    HB3  CYS  10           3HB      CYS  10  12.014   4.667   5.541
   68    H    SER  11           H        SER  11  11.188   5.111   7.198
   69    HA   SER  11           HA       SER  11  12.480   5.487   9.792
   70    HB2  SER  11           2HB      SER  11  10.411   6.032  10.921
   71    HB3  SER  11           3HB      SER  11  10.651   7.184   9.608
   72    HG   SER  11           HG       SER  11   8.524   5.807  10.004
   73    H    GLY  12           H        GLY  12  10.851   4.128  11.429
   74    HA2  GLY  12           2HA      GLY  12  10.261   2.008  12.082
   75    HA3  GLY  12           3HA      GLY  12   9.665   1.787  10.444
   76    H    GLY  13           H        GLY  13  12.979   2.612  10.727
   77    HA2  GLY  13           2HA      GLY  13  14.918   1.361  10.595
   78    HA3  GLY  13           3HA      GLY  13  13.975  -0.070  10.985
   79    H    LEU  14           H        LEU  14  12.932   1.900   8.351
   80    HA   LEU  14           HA       LEU  14  13.575  -0.266   6.506
   81    HB2  LEU  14           2HB      LEU  14  11.780   2.135   6.347
   82    HB3  LEU  14           3HB      LEU  14  12.163   1.165   4.927
   83    HG   LEU  14           HG       LEU  14  10.874   0.042   7.409
   84   HD11  LEU  14          1HD1      LEU  14   8.761   0.267   6.393
   85   HD12  LEU  14          2HD1      LEU  14   9.465   0.765   4.855
   86   HD13  LEU  14          3HD1      LEU  14   9.532   1.846   6.247
   87   HD21  LEU  14          3HD2      LEU  14  11.015  -1.027   4.593
   88   HD22  LEU  14          1HD2      LEU  14  10.345  -1.837   6.010
   89   HD23  LEU  14          2HD2      LEU  14  12.079  -1.528   5.909
   90    H    CYS  15           H        CYS  15  14.081   0.573   4.178
   91    HA   CYS  15           HA       CYS  15  16.189   2.624   4.378
   92    HB2  CYS  15           2HB      CYS  15  16.215   0.094   2.718
   93    HB3  CYS  15           3HB      CYS  15  17.452   1.346   2.675
   94    H    CYS  16           H        CYS  16  16.384   4.078   2.708
   95    HA   CYS  16           HA       CYS  16  14.039   4.409   1.056
   96    HB2  CYS  16           2HB      CYS  16  15.446   6.246   2.264
   97    HB3  CYS  16           3HB      CYS  16  16.492   6.127   0.852
   98    H    SER  17           H        SER  17  13.821   3.800  -0.994
   99    HA   SER  17           HA       SER  17  16.009   2.467  -2.325
  100    HB2  SER  17           2HB      SER  17  14.414   1.668  -3.855
  101    HB3  SER  17           3HB      SER  17  13.521   1.767  -2.337
  102    HG   SER  17           HG       SER  17  12.240   3.141  -3.255
  103    H    LYS  18           H        LYS  18  16.303   2.923  -4.734
  104    HA   LYS  18           HA       LYS  18  17.225   5.595  -5.022
  105    HB2  LYS  18           2HB      LYS  18  16.910   3.437  -7.118
  106    HB3  LYS  18           3HB      LYS  18  17.844   4.916  -7.302
  107    HG2  LYS  18           2HG      LYS  18  18.483   3.092  -5.040
  108    HG3  LYS  18           3HG      LYS  18  19.000   2.653  -6.669
  109    HD2  LYS  18           2HD      LYS  18  19.566   5.354  -5.475
  110    HD3  LYS  18           3HD      LYS  18  20.649   3.978  -5.250
  111    HE2  LYS  18           2HE      LYS  18  21.554   4.333  -7.246
  112    HE3  LYS  18           3HE      LYS  18  19.975   4.179  -8.014
  113    HZ1  LYS  18           3HZ      LYS  18  20.445   6.712  -6.701
  114    HZ2  LYS  18           1HZ      LYS  18  19.770   6.386  -8.218
  115    HZ3  LYS  18           2HZ      LYS  18  21.450   6.413  -8.028
  116    H    TYR  19           H        TYR  19  14.181   4.252  -5.367
  117    HA   TYR  19           HA       TYR  19  13.330   6.196  -7.388
  118    HB2  TYR  19           2HB      TYR  19  12.230   3.625  -6.364
  119    HB3  TYR  19           3HB      TYR  19  11.084   4.830  -6.939
  120    HD1  TYR  19           HD2      TYR  19  14.078   2.876  -7.947
  121    HD2  TYR  19           HD1      TYR  19  10.690   5.104  -9.237
  122    HE1  TYR  19           HE2      TYR  19  14.491   2.154 -10.262
  123    HE2  TYR  19           HE1      TYR  19  11.093   4.387 -11.555
  124    HH   TYR  19           HH       TYR  19  12.306   3.088 -12.896
  125    H    GLY  20           H        GLY  20  13.784   6.211  -4.190
  126    HA2  GLY  20           2HA      GLY  20  13.115   7.857  -2.680
  127    HA3  GLY  20           3HA      GLY  20  11.840   8.326  -3.794
  128    H    TYR  21           H        TYR  21  11.856   5.002  -3.330
  129    HA   TYR  21           HA       TYR  21   9.623   5.235  -1.430
  130    HB2  TYR  21           2HB      TYR  21  10.252   3.033  -3.407
  131    HB3  TYR  21           3HB      TYR  21   8.870   3.058  -2.317
  132    HD1  TYR  21           HD1      TYR  21   7.976   5.853  -2.545
  133    HD2  TYR  21           HD2      TYR  21   9.336   3.159  -5.544
  134    HE1  TYR  21           HE1      TYR  21   6.666   7.076  -4.229
  135    HE2  TYR  21           HE2      TYR  21   8.031   4.376  -7.237
  136    HH   TYR  21           HH       TYR  21   6.901   6.310  -7.651
  137    H    CYS  22           H        CYS  22   9.651   4.173   0.474
  138    HA   CYS  22           HA       CYS  22  12.148   3.099   1.392
  139    HB2  CYS  22           2HB      CYS  22   9.457   3.169   2.775
  140    HB3  CYS  22           3HB      CYS  22  11.007   2.838   3.542
  141    H    GLY  23           H        GLY  23  12.391   0.987   2.394
  142    HA2  GLY  23           2HA      GLY  23  10.602  -1.124   2.225
  143    HA3  GLY  23           3HA      GLY  23  11.467  -1.097   0.696
  144    H    SER  24           H        SER  24  12.315  -3.178   1.231
  145    HA   SER  24           HA       SER  24  14.613  -3.004   3.059
  146    HB2  SER  24           2HB      SER  24  12.690  -4.299   4.064
  147    HB3  SER  24           3HB      SER  24  12.893  -5.473   2.764
  148    HG   SER  24           HG       SER  24  14.198  -6.301   4.235
  149    H    GLY  25           H        GLY  25  15.781  -5.403   2.661
  150    HA2  GLY  25           2HA      GLY  25  16.756  -6.829   1.075
  151    HA3  GLY  25           3HA      GLY  25  15.960  -5.920  -0.201
  152    HA   PRO  26           HA       PRO  26  20.365  -4.644   0.131
  153    HB2  PRO  26           2HB      PRO  26  21.431  -5.864  -2.070
  154    HB3  PRO  26           3HB      PRO  26  21.553  -6.528  -0.453
  155    HG2  PRO  26           2HG      PRO  26  19.818  -7.392  -2.685
  156    HG3  PRO  26           3HG      PRO  26  20.266  -8.273  -1.238
  157    HD2  PRO  26           2HD      PRO  26  17.757  -6.982  -1.752
  158    HD3  PRO  26           3HD      PRO  26  18.248  -7.763  -0.262
  159    H    ALA  27           H        ALA  27  18.055  -4.766  -2.278
  160    HA   ALA  27           HA       ALA  27  19.251  -2.753  -3.949
  161    HB1  ALA  27           1HB      ALA  27  17.905  -4.105  -5.213
  162    HB2  ALA  27           2HB      ALA  27  16.688  -4.267  -3.947
  163    HB3  ALA  27           3HB      ALA  27  16.792  -2.777  -4.884
  164    H    TYR  28           H        TYR  28  17.785  -2.633  -0.985
  165    HA   TYR  28           HA       TYR  28  16.821   0.115  -1.440
  166    HB2  TYR  28           2HB      TYR  28  15.827  -2.028   0.429
  167    HB3  TYR  28           3HB      TYR  28  15.454  -0.328   0.691
  168    HD1  TYR  28           HD2      TYR  28  15.418  -2.730  -2.182
  169    HD2  TYR  28           HD1      TYR  28  13.385   0.342  -0.053
  170    HE1  TYR  28           HE2      TYR  28  13.523  -2.912  -3.740
  171    HE2  TYR  28           HE1      TYR  28  11.484   0.168  -1.604
  172    HH   TYR  28           HH       TYR  28  10.757  -0.717  -3.534
  173    H    CYS  29           H        CYS  29  18.527  -2.052   0.764
  174    HA   CYS  29           HA       CYS  29  19.408   0.209   2.387
  175    HB2  CYS  29           2HB      CYS  29  19.799  -2.772   2.713
  176    HB3  CYS  29           3HB      CYS  29  20.431  -1.563   3.824
  177    H    GLY  30           H        GLY  30  20.542  -1.918  -0.091
  178    HA2  GLY  30           2HA      GLY  30  23.344  -1.460   0.393
  179    HA3  GLY  30           3HA      GLY  30  22.642  -2.257  -1.007
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1   8.494   1.539   3.118
    2    HA   ALA   1           HA       ALA   1   7.851  -0.747   1.581
    3    HB1  ALA   1           1HB      ALA   1   7.208  -2.291   3.350
    4    HB2  ALA   1           2HB      ALA   1   8.931  -1.923   3.437
    5    HB3  ALA   1           3HB      ALA   1   7.809  -1.166   4.568
    6    H    ALA   2           H        ALA   2   6.825   1.764   1.561
    7    HA   ALA   2           HA       ALA   2   4.046   1.260   2.170
    8    HB1  ALA   2           1HB      ALA   2   4.370   2.190   4.241
    9    HB2  ALA   2           2HB      ALA   2   5.655   3.262   3.681
   10    HB3  ALA   2           3HB      ALA   2   3.973   3.626   3.297
   11    H    GLY   3           H        GLY   3   6.142   4.071   1.466
   12    HA2  GLY   3           2HA      GLY   3   5.048   4.288  -1.202
   13    HA3  GLY   3           3HA      GLY   3   4.530   5.562  -0.109
   14    H    GLN   4           H        GLN   4   5.592   7.322  -0.791
   15    HA   GLN   4           HA       GLN   4   8.334   7.173  -1.682
   16    HB2  GLN   4           2HB      GLN   4   6.516   8.705  -2.631
   17    HB3  GLN   4           3HB      GLN   4   6.757   9.692  -1.196
   18    HG2  GLN   4           2HG      GLN   4   8.232  10.768  -2.490
   19    HG3  GLN   4           3HG      GLN   4   9.303   9.442  -2.036
   20   HE21  GLN   4          1HE2      GLN   4   6.895  10.350  -4.467
   21   HE22  GLN   4          2HE2      GLN   4   7.675   9.557  -5.789
   22    H    CYS   5           H        CYS   5  10.117   8.132  -0.701
   23    HA   CYS   5           HA       CYS   5  10.167   8.030   2.132
   24    HB2  CYS   5           2HB      CYS   5  12.227   9.244   0.279
   25    HB3  CYS   5           3HB      CYS   5  12.488   8.716   1.938
   26    H    TYR   6           H        TYR   6  11.435  10.002   3.237
   27    HA   TYR   6           HA       TYR   6  10.045  12.491   2.517
   28    HB2  TYR   6           2HB      TYR   6   8.853  11.428   4.391
   29    HB3  TYR   6           3HB      TYR   6  10.348  11.390   5.319
   30    HD1  TYR   6           HD1      TYR   6   7.689  13.544   3.985
   31    HD2  TYR   6           HD2      TYR   6  11.220  13.388   6.355
   32    HE1  TYR   6           HE1      TYR   6   7.191  15.786   4.864
   33    HE2  TYR   6           HE2      TYR   6  10.730  15.630   7.241
   34    HH   TYR   6           HH       TYR   6   8.012  17.530   6.032
   35    H    ARG   7           H        ARG   7  11.493  14.011   2.104
   36    HA   ARG   7           HA       ARG   7  13.472  15.148   2.026
   37    HB2  ARG   7           2HB      ARG   7  12.411  15.686   4.325
   38    HB3  ARG   7           3HB      ARG   7  13.677  14.658   4.983
   39    HG2  ARG   7           2HG      ARG   7  15.337  16.143   4.487
   40    HG3  ARG   7           3HG      ARG   7  14.461  16.835   3.120
   41    HD2  ARG   7           2HD      ARG   7  13.117  17.237   5.676
   42    HD3  ARG   7           3HD      ARG   7  14.721  17.966   5.614
   43    HE   ARG   7           HE       ARG   7  12.384  18.869   4.267
   44   HH11  ARG   7          1HH1      ARG   7  15.845  18.624   3.975
   45   HH12  ARG   7          2HH1      ARG   7  15.982  19.986   2.912
   46   HH21  ARG   7          1HH2      ARG   7  12.552  20.663   2.868
   47   HH22  ARG   7          2HH2      ARG   7  14.109  21.145   2.284
   48    H    GLY   8           H        GLY   8  13.676  12.293   1.609
   49    HA2  GLY   8           2HA      GLY   8  15.434  10.862   1.160
   50    HA3  GLY   8           3HA      GLY   8  16.522  12.042   1.874
   51    H    ARG   9           H        ARG   9  13.731  10.611   3.473
   52    HA   ARG   9           HA       ARG   9  15.405   8.803   5.007
   53    HB2  ARG   9           2HB      ARG   9  14.252  11.318   6.099
   54    HB3  ARG   9           3HB      ARG   9  14.172   9.886   7.117
   55    HG2  ARG   9           2HG      ARG   9  16.709  10.929   5.882
   56    HG3  ARG   9           3HG      ARG   9  16.159  11.330   7.510
   57    HD2  ARG   9           2HD      ARG   9  16.314   8.460   6.760
   58    HD3  ARG   9           3HD      ARG   9  17.828   9.321   7.035
   59    HE   ARG   9           HE       ARG   9  16.300   9.945   9.203
   60   HH11  ARG   9          1HH1      ARG   9  17.337   6.975   7.711
   61   HH12  ARG   9          2HH1      ARG   9  17.353   6.082   9.195
   62   HH21  ARG   9          1HH2      ARG   9  16.319   8.780  11.164
   63   HH22  ARG   9          2HH2      ARG   9  16.773   7.110  11.159
   64    H    CYS  10           H        CYS  10  14.317   7.026   5.644
   65    HA   CYS  10           HA       CYS  10  11.417   6.990   5.152
   66    HB2  CYS  10           2HB      CYS  10  13.506   4.816   5.061
   67    HB3  CYS  10           3HB      CYS  10  11.781   4.464   5.078
   68    H    SER  11           H        SER  11  10.534   4.888   6.494
   69    HA   SER  11           HA       SER  11  10.379   5.789   9.160
   70    HB2  SER  11           2HB      SER  11   8.585   4.499   8.039
   71    HB3  SER  11           3HB      SER  11   9.622   3.073   8.056
   72    HG   SER  11           HG       SER  11   8.279   4.332  10.154
   73    H    GLY  12           H        GLY  12  11.025   4.685  11.104
   74    HA2  GLY  12           2HA      GLY  12  13.740   3.995  11.161
   75    HA3  GLY  12           3HA      GLY  12  12.596   3.714  12.465
   76    H    GLY  13           H        GLY  13  14.291   2.326   9.784
   77    HA2  GLY  13           2HA      GLY  13  14.798  -0.112  10.332
   78    HA3  GLY  13           3HA      GLY  13  13.050  -0.290  10.351
   79    H    LEU  14           H        LEU  14  12.833   1.676   8.095
   80    HA   LEU  14           HA       LEU  14  13.306  -0.267   5.967
   81    HB2  LEU  14           2HB      LEU  14  11.637   2.223   6.163
   82    HB3  LEU  14           3HB      LEU  14  11.926   1.406   4.628
   83    HG   LEU  14           HG       LEU  14  10.679   0.021   6.992
   84   HD11  LEU  14          1HD1      LEU  14   8.545   0.395   5.578
   85   HD12  LEU  14          2HD1      LEU  14   9.436   1.756   4.898
   86   HD13  LEU  14          3HD1      LEU  14   9.117   1.689   6.631
   87   HD21  LEU  14          3HD2      LEU  14  11.713  -1.279   5.079
   88   HD22  LEU  14          1HD2      LEU  14  10.445  -0.599   4.058
   89   HD23  LEU  14          2HD2      LEU  14  10.018  -1.621   5.431
   90    H    CYS  15           H        CYS  15  13.828   0.812   3.761
   91    HA   CYS  15           HA       CYS  15  15.912   2.857   4.117
   92    HB2  CYS  15           2HB      CYS  15  16.122   0.257   2.597
   93    HB3  CYS  15           3HB      CYS  15  17.226   1.604   2.339
   94    H    CYS  16           H        CYS  16  16.266   4.230   2.349
   95    HA   CYS  16           HA       CYS  16  13.950   4.567   0.649
   96    HB2  CYS  16           2HB      CYS  16  15.334   6.418   1.842
   97    HB3  CYS  16           3HB      CYS  16  16.438   6.240   0.483
   98    H    SER  17           H        SER  17  13.768   3.886  -1.380
   99    HA   SER  17           HA       SER  17  15.976   2.509  -2.630
  100    HB2  SER  17           2HB      SER  17  14.408   1.665  -4.162
  101    HB3  SER  17           3HB      SER  17  13.482   1.821  -2.669
  102    HG   SER  17           HG       SER  17  12.227   3.161  -3.669
  103    H    LYS  18           H        LYS  18  16.331   2.894  -5.040
  104    HA   LYS  18           HA       LYS  18  17.256   5.558  -5.389
  105    HB2  LYS  18           2HB      LYS  18  18.391   3.612  -6.380
  106    HB3  LYS  18           3HB      LYS  18  16.997   3.327  -7.414
  107    HG2  LYS  18           2HG      LYS  18  17.537   4.994  -8.836
  108    HG3  LYS  18           3HG      LYS  18  18.200   6.017  -7.560
  109    HD2  LYS  18           2HD      LYS  18  19.658   3.519  -8.248
  110    HD3  LYS  18           3HD      LYS  18  19.748   4.870  -9.380
  111    HE2  LYS  18           2HE      LYS  18  21.436   5.585  -8.094
  112    HE3  LYS  18           3HE      LYS  18  20.172   6.106  -6.981
  113    HZ1  LYS  18           3HZ      LYS  18  20.428   4.161  -5.701
  114    HZ2  LYS  18           1HZ      LYS  18  21.997   4.724  -5.993
  115    HZ3  LYS  18           2HZ      LYS  18  21.393   3.409  -6.869
  116    H    TYR  19           H        TYR  19  14.222   4.199  -5.763
  117    HA   TYR  19           HA       TYR  19  13.418   6.079  -7.863
  118    HB2  TYR  19           2HB      TYR  19  12.293   3.539  -6.788
  119    HB3  TYR  19           3HB      TYR  19  11.166   4.723  -7.440
  120    HD1  TYR  19           HD2      TYR  19  11.174   5.274  -9.813
  121    HD2  TYR  19           HD1      TYR  19  13.864   2.382  -8.229
  122    HE1  TYR  19           HE2      TYR  19  11.650   4.478 -12.091
  123    HE2  TYR  19           HE1      TYR  19  14.349   1.579 -10.502
  124    HH   TYR  19           HH       TYR  19  13.039   1.613 -12.785
  125    H    GLY  20           H        GLY  20  13.807   6.214  -4.668
  126    HA2  GLY  20           2HA      GLY  20  13.090   7.886  -3.216
  127    HA3  GLY  20           3HA      GLY  20  11.851   8.330  -4.380
  128    H    TYR  21           H        TYR  21  11.851   5.017  -3.813
  129    HA   TYR  21           HA       TYR  21   9.557   5.308  -1.995
  130    HB2  TYR  21           2HB      TYR  21  10.244   3.047  -3.884
  131    HB3  TYR  21           3HB      TYR  21   8.828   3.108  -2.841
  132    HD1  TYR  21           HD2      TYR  21   7.810   5.786  -3.157
  133    HD2  TYR  21           HD1      TYR  21   9.540   3.222  -6.079
  134    HE1  TYR  21           HE2      TYR  21   6.558   6.959  -4.920
  135    HE2  TYR  21           HE1      TYR  21   8.294   4.389  -7.850
  136    HH   TYR  21           HH       TYR  21   7.201   6.474  -8.263
  137    H    CYS  22           H        CYS  22   9.493   4.252  -0.079
  138    HA   CYS  22           HA       CYS  22  11.962   3.247   0.977
  139    HB2  CYS  22           2HB      CYS  22   9.206   3.260   2.227
  140    HB3  CYS  22           3HB      CYS  22  10.728   2.993   3.071
  141    H    GLY  23           H        GLY  23  12.212   1.153   2.009
  142    HA2  GLY  23           2HA      GLY  23  10.488  -1.004   1.799
  143    HA3  GLY  23           3HA      GLY  23  11.403  -0.972   0.299
  144    H    SER  24           H        SER  24  12.253  -3.042   0.920
  145    HA   SER  24           HA       SER  24  14.509  -2.780   2.789
  146    HB2  SER  24           2HB      SER  24  12.587  -4.069   3.797
  147    HB3  SER  24           3HB      SER  24  12.825  -5.279   2.536
  148    HG   SER  24           HG       SER  24  14.596  -4.527   4.608
  149    H    GLY  25           H        GLY  25  15.720  -5.169   2.490
  150    HA2  GLY  25           2HA      GLY  25  16.729  -6.639   0.959
  151    HA3  GLY  25           3HA      GLY  25  15.974  -5.752  -0.357
  152    HA   PRO  26           HA       PRO  26  20.369  -4.473   0.093
  153    HB2  PRO  26           2HB      PRO  26  21.507  -5.740  -2.043
  154    HB3  PRO  26           3HB      PRO  26  21.575  -6.369  -0.409
  155    HG2  PRO  26           2HG      PRO  26  19.914  -7.281  -2.678
  156    HG3  PRO  26           3HG      PRO  26  20.314  -8.131  -1.199
  157    HD2  PRO  26           2HD      PRO  26  17.824  -6.852  -1.825
  158    HD3  PRO  26           3HD      PRO  26  18.264  -7.600  -0.303
  159    H    ALA  27           H        ALA  27  18.148  -4.656  -2.398
  160    HA   ALA  27           HA       ALA  27  19.400  -2.663  -4.056
  161    HB1  ALA  27           1HB      ALA  27  17.183  -2.742  -5.270
  162    HB2  ALA  27           2HB      ALA  27  18.085  -4.257  -5.200
  163    HB3  ALA  27           3HB      ALA  27  16.708  -4.000  -4.129
  164    H    TYR  28           H        TYR  28  17.818  -2.500  -1.161
  165    HA   TYR  28           HA       TYR  28  16.818   0.217  -1.717
  166    HB2  TYR  28           2HB      TYR  28  15.812  -1.901   0.172
  167    HB3  TYR  28           3HB      TYR  28  15.402  -0.203   0.389
  168    HD1  TYR  28           HD1      TYR  28  15.497  -2.649  -2.446
  169    HD2  TYR  28           HD2      TYR  28  13.336   0.403  -0.416
  170    HE1  TYR  28           HE1      TYR  28  13.650  -2.898  -4.051
  171    HE2  TYR  28           HE2      TYR  28  11.483   0.161  -2.015
  172    HH   TYR  28           HH       TYR  28  11.689  -2.102  -4.740
  173    H    CYS  29           H        CYS  29  18.495  -1.854   0.600
  174    HA   CYS  29           HA       CYS  29  19.296   0.477   2.168
  175    HB2  CYS  29           2HB      CYS  29  19.585  -2.494   2.620
  176    HB3  CYS  29           3HB      CYS  29  20.336  -1.291   3.664
  177    H    GLY  30           H        GLY  30  20.526  -1.739  -0.181
  178    HA2  GLY  30           2HA      GLY  30  22.471  -1.494  -1.438
  179    HA3  GLY  30           3HA      GLY  30  22.992  -0.226  -0.339
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1   4.060   5.176   5.280
    2    HA   ALA   1           HA       ALA   1   6.741   5.831   4.779
    3    HB1  ALA   1           1HB      ALA   1   5.417   3.697   6.413
    4    HB2  ALA   1           2HB      ALA   1   7.173   3.774   6.266
    5    HB3  ALA   1           3HB      ALA   1   6.286   5.135   6.952
    6    H    ALA   2           H        ALA   2   4.905   2.883   4.005
    7    HA   ALA   2           HA       ALA   2   7.040   1.520   2.761
    8    HB1  ALA   2           1HB      ALA   2   5.322   0.042   1.850
    9    HB2  ALA   2           2HB      ALA   2   5.042   0.372   3.560
   10    HB3  ALA   2           3HB      ALA   2   4.073   1.189   2.333
   11    H    GLY   3           H        GLY   3   4.887   4.006   1.663
   12    HA2  GLY   3           2HA      GLY   3   5.327   3.532  -1.145
   13    HA3  GLY   3           3HA      GLY   3   4.516   4.919  -0.434
   14    H    GLN   4           H        GLN   4   5.498   6.656  -1.255
   15    HA   GLN   4           HA       GLN   4   8.262   6.727  -1.933
   16    HB2  GLN   4           2HB      GLN   4   6.750   8.115  -3.167
   17    HB3  GLN   4           3HB      GLN   4   6.171   8.891  -1.699
   18    HG2  GLN   4           2HG      GLN   4   8.181  10.082  -1.413
   19    HG3  GLN   4           3HG      GLN   4   9.023   9.095  -2.606
   20   HE21  GLN   4          1HE2      GLN   4   9.056  11.841  -2.726
   21   HE22  GLN   4          2HE2      GLN   4   8.162  12.367  -4.108
   22    H    CYS   5           H        CYS   5   9.970   7.739  -0.917
   23    HA   CYS   5           HA       CYS   5   9.932   7.761   1.916
   24    HB2  CYS   5           2HB      CYS   5  12.017   8.976   0.094
   25    HB3  CYS   5           3HB      CYS   5  12.237   8.486   1.771
   26    H    TYR   6           H        TYR   6  11.069   9.802   3.001
   27    HA   TYR   6           HA       TYR   6   9.665  12.227   2.109
   28    HB2  TYR   6           2HB      TYR   6   8.591  10.933   4.095
   29    HB3  TYR   6           3HB      TYR   6   9.931  11.586   5.031
   30    HD1  TYR   6           HD1      TYR   6   7.095  12.596   2.846
   31    HD2  TYR   6           HD2      TYR   6   9.819  13.754   5.902
   32    HE1  TYR   6           HE1      TYR   6   5.849  14.693   3.153
   33    HE2  TYR   6           HE2      TYR   6   8.580  15.855   6.218
   34    HH   TYR   6           HH       TYR   6   6.734  17.218   4.227
   35    H    ARG   7           H        ARG   7  11.114  13.747   1.699
   36    HA   ARG   7           HA       ARG   7  13.072  14.922   1.685
   37    HB2  ARG   7           2HB      ARG   7  11.855  15.562   3.875
   38    HB3  ARG   7           3HB      ARG   7  13.086  14.592   4.673
   39    HG2  ARG   7           2HG      ARG   7  14.688  16.113   3.200
   40    HG3  ARG   7           3HG      ARG   7  13.313  17.213   3.317
   41    HD2  ARG   7           2HD      ARG   7  13.377  16.799   5.817
   42    HD3  ARG   7           3HD      ARG   7  14.935  16.019   5.551
   43    HE   ARG   7           HE       ARG   7  14.977  18.558   4.360
   44   HH11  ARG   7          1HH1      ARG   7  14.882  17.084   7.513
   45   HH12  ARG   7          2HH1      ARG   7  15.697  18.398   8.295
   46   HH21  ARG   7          1HH2      ARG   7  16.050  20.294   5.379
   47   HH22  ARG   7          2HH2      ARG   7  16.360  20.224   7.080
   48    H    GLY   8           H        GLY   8  13.370  12.067   1.415
   49    HA2  GLY   8           2HA      GLY   8  15.180  10.655   1.162
   50    HA3  GLY   8           3HA      GLY   8  16.193  11.892   1.891
   51    H    ARG   9           H        ARG   9  13.327  10.485   3.370
   52    HA   ARG   9           HA       ARG   9  14.971   8.855   5.144
   53    HB2  ARG   9           2HB      ARG   9  13.230  11.142   6.046
   54    HB3  ARG   9           3HB      ARG   9  13.659   9.818   7.120
   55    HG2  ARG   9           2HG      ARG   9  16.096  10.398   6.422
   56    HG3  ARG   9           3HG      ARG   9  15.391  11.946   5.952
   57    HD2  ARG   9           2HD      ARG   9  15.692  12.547   8.083
   58    HD3  ARG   9           3HD      ARG   9  14.307  11.514   8.437
   59    HE   ARG   9           HE       ARG   9  15.723  10.094   9.516
   60   HH11  ARG   9          1HH1      ARG   9  17.582  12.044   7.312
   61   HH12  ARG   9          2HH1      ARG   9  19.108  11.414   7.836
   62   HH21  ARG   9          1HH2      ARG   9  17.726   9.256  10.215
   63   HH22  ARG   9          2HH2      ARG   9  19.189   9.827   9.487
   64    H    CYS  10           H        CYS  10  13.988   7.010   5.756
   65    HA   CYS  10           HA       CYS  10  11.157   6.690   5.007
   66    HB2  CYS  10           2HB      CYS  10  13.442   4.721   5.037
   67    HB3  CYS  10           3HB      CYS  10  11.760   4.211   4.934
   68    H    SER  11           H        SER  11  10.400   4.489   6.272
   69    HA   SER  11           HA       SER  11   9.981   5.335   8.927
   70    HB2  SER  11           2HB      SER  11   8.264   3.977   8.195
   71    HB3  SER  11           3HB      SER  11   9.354   2.867   7.364
   72    HG   SER  11           HG       SER  11   9.429   1.701   9.102
   73    H    GLY  12           H        GLY  12  10.560   4.183  10.898
   74    HA2  GLY  12           2HA      GLY  12  13.336   3.802  11.141
   75    HA3  GLY  12           3HA      GLY  12  12.139   3.381  12.357
   76    H    GLY  13           H        GLY  13  14.112   2.227   9.744
   77    HA2  GLY  13           2HA      GLY  13  14.880  -0.133  10.235
   78    HA3  GLY  13           3HA      GLY  13  13.165  -0.519  10.275
   79    H    LEU  14           H        LEU  14  12.859   1.539   8.016
   80    HA   LEU  14           HA       LEU  14  13.365  -0.385   5.878
   81    HB2  LEU  14           2HB      LEU  14  11.662   2.078   6.095
   82    HB3  LEU  14           3HB      LEU  14  11.979   1.300   4.546
   83    HG   LEU  14           HG       LEU  14  10.592   0.028   6.906
   84   HD11  LEU  14          1HD1      LEU  14   8.739   0.980   6.155
   85   HD12  LEU  14          2HD1      LEU  14   8.959   0.158   4.610
   86   HD13  LEU  14          3HD1      LEU  14   9.638   1.767   4.857
   87   HD21  LEU  14          3HD2      LEU  14  10.037  -1.715   5.158
   88   HD22  LEU  14          1HD2      LEU  14  11.706  -1.689   5.728
   89   HD23  LEU  14          2HD2      LEU  14  11.298  -0.985   4.163
   90    H    CYS  15           H        CYS  15  13.871   0.731   3.677
   91    HA   CYS  15           HA       CYS  15  15.901   2.823   4.039
   92    HB2  CYS  15           2HB      CYS  15  16.266   0.248   2.493
   93    HB3  CYS  15           3HB      CYS  15  17.380   1.611   2.439
   94    H    CYS  16           H        CYS  16  16.160   4.227   2.318
   95    HA   CYS  16           HA       CYS  16  13.918   4.389   0.515
   96    HB2  CYS  16           2HB      CYS  16  15.206   6.324   1.713
   97    HB3  CYS  16           3HB      CYS  16  16.317   6.184   0.355
   98    H    SER  17           H        SER  17  13.833   3.664  -1.505
   99    HA   SER  17           HA       SER  17  16.142   2.367  -2.657
  100    HB2  SER  17           2HB      SER  17  14.663   1.426  -4.223
  101    HB3  SER  17           3HB      SER  17  13.689   1.557  -2.759
  102    HG   SER  17           HG       SER  17  12.399   2.820  -3.812
  103    H    LYS  18           H        LYS  18  16.540   2.720  -5.070
  104    HA   LYS  18           HA       LYS  18  17.364   5.413  -5.445
  105    HB2  LYS  18           2HB      LYS  18  18.330   3.162  -6.400
  106    HB3  LYS  18           3HB      LYS  18  17.202   3.467  -7.714
  107    HG2  LYS  18           2HG      LYS  18  18.398   5.203  -8.523
  108    HG3  LYS  18           3HG      LYS  18  18.934   5.723  -6.924
  109    HD2  LYS  18           2HD      LYS  18  20.865   4.640  -7.155
  110    HD3  LYS  18           3HD      LYS  18  20.030   3.139  -7.563
  111    HE2  LYS  18           2HE      LYS  18  21.164   3.459  -9.510
  112    HE3  LYS  18           3HE      LYS  18  19.713   4.390  -9.880
  113    HZ1  LYS  18           3HZ      LYS  18  22.206   5.557  -8.769
  114    HZ2  LYS  18           1HZ      LYS  18  20.841   6.401  -9.303
  115    HZ3  LYS  18           2HZ      LYS  18  21.802   5.561 -10.412
  116    H    TYR  19           H        TYR  19  14.399   3.922  -5.871
  117    HA   TYR  19           HA       TYR  19  13.573   5.728  -8.026
  118    HB2  TYR  19           2HB      TYR  19  12.530   3.163  -6.931
  119    HB3  TYR  19           3HB      TYR  19  11.366   4.288  -7.621
  120    HD1  TYR  19           HD1      TYR  19  12.148   5.286  -9.987
  121    HD2  TYR  19           HD2      TYR  19  13.416   1.573  -8.342
  122    HE1  TYR  19           HE1      TYR  19  12.701   4.481 -12.245
  123    HE2  TYR  19           HE2      TYR  19  13.974   0.759 -10.594
  124    HH   TYR  19           HH       TYR  19  13.978   1.206 -12.765
  125    H    GLY  20           H        GLY  20  13.862   5.917  -4.815
  126    HA2  GLY  20           2HA      GLY  20  13.048   7.598  -3.420
  127    HA3  GLY  20           3HA      GLY  20  11.817   7.963  -4.621
  128    H    TYR  21           H        TYR  21  11.958   4.665  -3.973
  129    HA   TYR  21           HA       TYR  21   9.616   4.894  -2.206
  130    HB2  TYR  21           2HB      TYR  21  10.422   2.639  -4.056
  131    HB3  TYR  21           3HB      TYR  21   8.992   2.649  -3.029
  132    HD1  TYR  21           HD1      TYR  21   7.620   5.025  -3.367
  133    HD2  TYR  21           HD2      TYR  21   9.975   3.007  -6.280
  134    HE1  TYR  21           HE1      TYR  21   6.337   6.123  -5.156
  135    HE2  TYR  21           HE2      TYR  21   8.699   4.100  -8.077
  136    HH   TYR  21           HH       TYR  21   7.234   6.522  -8.083
  137    H    CYS  22           H        CYS  22   9.589   3.916  -0.258
  138    HA   CYS  22           HA       CYS  22  12.076   2.979   0.823
  139    HB2  CYS  22           2HB      CYS  22   9.326   2.984   2.085
  140    HB3  CYS  22           3HB      CYS  22  10.859   2.786   2.928
  141    H    GLY  23           H        GLY  23  12.369   0.922   1.901
  142    HA2  GLY  23           2HA      GLY  23  10.660  -1.262   1.755
  143    HA3  GLY  23           3HA      GLY  23  11.595  -1.266   0.267
  144    H    SER  24           H        SER  24  12.495  -3.286   0.928
  145    HA   SER  24           HA       SER  24  14.689  -2.949   2.859
  146    HB2  SER  24           2HB      SER  24  12.771  -4.291   3.810
  147    HB3  SER  24           3HB      SER  24  13.090  -5.499   2.565
  148    HG   SER  24           HG       SER  24  14.200  -5.423   4.873
  149    H    GLY  25           H        GLY  25  15.978  -5.303   2.608
  150    HA2  GLY  25           2HA      GLY  25  17.089  -6.741   1.125
  151    HA3  GLY  25           3HA      GLY  25  16.330  -5.905  -0.221
  152    HA   PRO  26           HA       PRO  26  20.658  -4.442   0.308
  153    HB2  PRO  26           2HB      PRO  26  21.896  -5.693  -1.783
  154    HB3  PRO  26           3HB      PRO  26  21.950  -6.295  -0.138
  155    HG2  PRO  26           2HG      PRO  26  20.381  -7.306  -2.430
  156    HG3  PRO  26           3HG      PRO  26  20.780  -8.118  -0.929
  157    HD2  PRO  26           2HD      PRO  26  18.256  -6.949  -1.630
  158    HD3  PRO  26           3HD      PRO  26  18.690  -7.658  -0.087
  159    H    ALA  27           H        ALA  27  18.497  -4.743  -2.221
  160    HA   ALA  27           HA       ALA  27  19.707  -2.737  -3.891
  161    HB1  ALA  27           1HB      ALA  27  17.693  -2.957  -5.257
  162    HB2  ALA  27           2HB      ALA  27  18.384  -4.535  -4.873
  163    HB3  ALA  27           3HB      ALA  27  16.955  -3.964  -4.011
  164    H    TYR  28           H        TYR  28  18.066  -2.582  -1.025
  165    HA   TYR  28           HA       TYR  28  17.003   0.098  -1.637
  166    HB2  TYR  28           2HB      TYR  28  16.011  -2.022   0.257
  167    HB3  TYR  28           3HB      TYR  28  15.547  -0.334   0.436
  168    HD1  TYR  28           HD1      TYR  28  15.779  -2.825  -2.351
  169    HD2  TYR  28           HD2      TYR  28  13.489   0.206  -0.434
  170    HE1  TYR  28           HE1      TYR  28  13.980  -3.151  -3.997
  171    HE2  TYR  28           HE2      TYR  28  11.684  -0.112  -2.074
  172    HH   TYR  28           HH       TYR  28  10.925  -1.375  -3.755
  173    H    CYS  29           H        CYS  29  18.680  -1.900   0.743
  174    HA   CYS  29           HA       CYS  29  19.375   0.467   2.307
  175    HB2  CYS  29           2HB      CYS  29  19.794  -2.486   2.791
  176    HB3  CYS  29           3HB      CYS  29  20.414  -1.230   3.858
  177    H    GLY  30           H        GLY  30  20.727  -1.723   0.001
  178    HA2  GLY  30           2HA      GLY  30  22.691  -1.425  -1.216
  179    HA3  GLY  30           3HA      GLY  30  23.144  -0.129  -0.118