*HEADER    SIGNALING PROTEIN                       30-JAN-15   2MYQ              
*TITLE     NMR STRUCTURE OF AN ODIN-SAM1 FRAGMENT                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANKYRIN REPEAT AND SAM DOMAIN-CONTAINING PROTEIN 1A;       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SAM 1 DOMAIN RESIDUES 715-757;                             
*COMPND   5 SYNONYM: ODIN;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    SIGNALING PROTEIN                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.A.MERCURIO, M.LEONE                                                 
*REVDAT   1   08-JUL-15 2MYQ    0                                                


 13 HIS  H      13 HIS  HB2     3.33            #peak     4
 13 HIS  H      13 HIS  HB3     3.33            #peak     5
 35 HIS  H      35 HIS  HB3     3.08            #peak   607
  7 ASN  HA      8 GLY  H       3.48            #peak    22
  6 LEU  H       7 ASN  H       2.93            #peak    31
  5 LEU  H       6 LEU  H       3.14            #peak    39
  5 LEU  H       5 LEU  HB2     3.58            #peak    41
  4 LEU  H       5 LEU  H       3.05            #peak    46
  3 LYS  H       3 LYS  HB2     3.48            #peak    58
  2 SER  H       3 LYS  H       4.48            #peak    60
 28 ILE  H      29 GLY  H       3.08            #peak    70
 28 ILE  H      28 ILE  HB      3.02            #peak    72
 39 LEU  H      39 LEU  HB2     3.30            #peak    85
 38 LYS  H      39 LEU  H       3.02            #peak    89
 38 LYS  HA     39 LEU  H       3.55            #peak    92
 13 HIS  H      14 PHE  H       3.02            #peak   167
 19 VAL  H      20 MET  H       2.99            #peak   177
 19 VAL  H      19 VAL  HB      3.36            #peak   184
 18 ASN  H      19 VAL  H       3.11            #peak   189
 18 ASN  H      18 ASN  HB2     3.70            #peak   193
 27 ASP  H      28 ILE  H       2.96            #peak   198
 38 LYS  QB     39 LEU  H       4.30            #peak   267
 42 ALA  H      43 ALA  H       2.80            #peak   273
 39 LEU  H      40 LEU  H       2.99            #peak   290
  8 GLY  H       9 PHE  H       2.99            #peak   311
  9 PHE  H       9 PHE  HB2     3.73            #peak   323
 20 MET  H      21 GLU  H       2.93            #peak   329
 21 GLU  H      21 GLU  HB2     3.86            #peak   331
  2 SER  H       2 SER  HB2     3.83            #peak    62
  2 SER  H       2 SER  HB3     3.83            #peak    63
  4 LEU  H       4 LEU  HB2     3.61            #peak    50
  4 LEU  H       4 LEU  HB3     3.61            #peak    51
  5 LEU  H       5 LEU  HB3     3.58            #peak    42
  6 LEU  H       6 LEU  HB2     3.73            #peak    35
  6 LEU  H       6 LEU  HB3     3.73            #peak    32
  9 PHE  H       9 PHE  HB3     3.73            #peak   324
 12 VAL  H      12 VAL  HB      3.30            #peak    19
 27 ASP  H      27 ASP  HB3     3.61            #peak   199
 34 GLN  H      34 GLN  QB      3.93            #peak    13
 35 HIS  H      35 HIS  HB2     3.08            #peak   606
 39 LEU  H      39 LEU  HB3     3.30            #peak    86
 11 ASP  H      11 ASP  HB3     3.42            #peak   748
 34 GLN  H      35 HIS  H       2.86            #peak   843
 25 LEU  H      25 LEU  HB2     4.14            #peak   866
 25 LEU  H      25 LEU  HB3     4.14            #peak   868
 44 ARG  H      44 ARG  HB3     3.48            #peak   957
 43 ALA  H      44 ARG  H       3.11            #peak   993
 42 ALA  H      44 ARG  H       4.32            #peak  3054
 26 ARG  H      26 ARG  QB      3.87            #peak  1007
 28 ILE  HA     29 GLY  H       3.42            #peak  1042
 28 ILE  HB     29 GLY  H       2.96            #peak  1043
 18 ASN  HB2    19 VAL  H       4.11            #peak  1052
 24 ASP  H      24 ASP  HB2     3.76            #peak  1144
 14 PHE  H      15 LEU  H       3.17            #peak  1169
 15 LEU  H      15 LEU  HB2     3.79            #peak  1171
  9 PHE  H      10 ASP  H       3.14            #peak  1205
  9 PHE  HB3    10 ASP  H       4.20            #peak  1207
 44 ARG  H      44 ARG  HB2     3.48            #peak  1276
  3 LYS  H       3 LYS  HB3     3.48            #peak  1304
 23 GLN  H      23 GLN  HB2     3.21            #peak  1343
 35 HIS  HB2    36 ARG  H       3.73            #peak  1368
 35 HIS  HB3    36 ARG  H       3.73            #peak  1381
 34 GLN  HA     35 HIS  H       3.48            #peak  1383
 11 ASP  HA     14 PHE  QB      4.18            #peak  1401
  2 SER  HA      3 LYS  H       3.48            #peak  1424
 24 ASP  H      24 ASP  HB3     3.76            #peak  1522
 22 GLU  H      23 GLN  H       3.05            #peak  1610
 23 GLN  H      24 ASP  H       3.14            #peak  1614
 24 ASP  H      25 LEU  H       3.02            #peak  3055
 26 ARG  H      27 ASP  H       3.05            #peak  1622
 35 HIS  H      36 ARG  H       3.02            #peak  3999
 41 GLN  H      42 ALA  H       2.93            #peak  1649
 40 LEU  H      41 GLN  H       2.99            #peak  1650
 21 GLU  H      22 GLU  H       3.14            #peak  1652
 18 ASN  HA     21 GLU  HB2     3.79            #peak  1824
 38 LYS  H      40 LEU  H       3.83            #peak  2152
 36 ARG  H      37 ARG  H       3.05            #peak  2199
 30 ILE  H      30 ILE  HB      3.33            #peak  2295
 29 GLY  H      30 ILE  H       3.05            #peak  2301
 30 ILE  H      31 SER  H       2.93            #peak  2325
 27 ASP  HA     30 ILE  H       3.64            #peak  2329
  2 SER  HB2     3 LYS  H       3.92            #peak  2342
 37 ARG  H      38 LYS  H       3.02            #peak  2356
 15 LEU  H      15 LEU  HB3     3.79            #peak  2408
 30 ILE  HB     31 SER  H       3.83            #peak  2462
 35 HIS  HA     38 LYS  H       3.36            #peak  2509
 40 LEU  HA     44 ARG  H       4.14            #peak  2525
 41 GLN  HA     44 ARG  H       4.11            #peak  2526
  5 LEU  H       7 ASN  H       5.13            #peak  2543
 15 LEU  HA     18 ASN  HB2     3.30            #peak  2557
 15 LEU  H      16 GLY  H       3.11            #peak  2603
 17 SER  HA     18 ASN  H       3.48            #peak  2615
 23 GLN  HB2    24 ASP  H       3.92            #peak  3713
 17 SER  H      18 ASN  H       3.08            #peak  2768
 39 LEU  HA     43 ALA  H       3.92            #peak  2800
 36 ARG  HA     38 LYS  H       4.32            #peak  2818
 17 SER  QB     18 ASN  H       5.24            #peak  2998
 31 SER  HB3    32 ASP  H       3.79            #peak  3001
 32 ASP  QB     34 GLN  H       5.05            #peak  3011
 31 SER  H      31 SER  HB3     3.39            #peak  3015
 18 ASN  HA     21 GLU  H       3.95            #peak  3132
 38 LYS  HA     41 GLN  QB      4.98            #peak  3181
 31 SER  H      32 ASP  H       3.05            #peak  3196
 36 ARG  HA     39 LEU  H       4.04            #peak  3267
 37 ARG  HA     40 LEU  H       3.58            #peak  3268
 35 HIS  HA     38 LYS  QB      4.27            #peak  3389
 21 GLU  HA     24 ASP  HB2     3.52            #peak  3748
  8 GLY  QA     11 ASP  H       5.11            #peak  3487
  7 ASN  H       8 GLY  H       2.96            #peak  3490
 11 ASP  H      12 VAL  H       3.05            #peak   745
 12 VAL  H      13 HIS  H       3.08            #peak  3493
  3 LYS  H       4 LEU  H       3.11            #peak  3502
 12 VAL  HA     14 PHE  H       3.83            #peak  3545
  8 GLY  QA     10 ASP  H       6.38            #peak  3546
  9 PHE  HA     12 VAL  H       3.55            #peak  3548
 10 ASP  HA     13 HIS  HB3     3.86            #peak  3552
 10 ASP  HA     13 HIS  HB2     3.86            #peak  3553
  6 LEU  HA     10 ASP  H       4.60            #peak  3555
 32 ASP  HA     34 GLN  H       4.48            #peak  3557
  3 LYS  HB3     4 LEU  H       4.38            #peak  3581
  3 LYS  HB2     4 LEU  H       4.38            #peak  3582
  2 SER  HA      4 LEU  H       4.57            #peak  3583
  3 LYS  HA      5 LEU  H       4.38            #peak  3584
  9 PHE  HB2    10 ASP  H       4.20            #peak  3597
 10 ASP  H      10 ASP  HB3     3.58            #peak  3603
 10 ASP  H      11 ASP  H       3.11            #peak  1215
 16 GLY  H      17 SER  H       3.21            #peak  3632
 16 GLY  H      18 ASN  H       4.66            #peak  3633
 18 ASN  HA     21 GLU  HB3     3.79            #peak  3650
 21 GLU  H      21 GLU  HB3     3.86            #peak  3652
 31 SER  H      31 SER  HB2     3.39            #peak  3666
 32 ASP  QB     35 HIS  H       5.02            #peak  3669
 20 MET  HA     24 ASP  H       4.07            #peak  3673
 27 ASP  HA     31 SER  H       4.23            #peak  3674
 25 LEU  H      26 ARG  H       2.86            #peak  3677
 17 SER  HA     20 MET  QB      4.30            #peak  3701
 23 GLN  HA     25 LEU  H       4.14            #peak  3717
 23 GLN  HA     26 ARG  H       3.42            #peak  3263
  6 LEU  HA      9 PHE  HB3     3.61            #peak  3886
 30 ILE  HB     31 SER  HA      5.50            #peak  3733
  6 LEU  HA      9 PHE  HB2     3.61            #peak  3734
 12 VAL  HA     15 LEU  HB3     3.89            #peak  3738
 16 GLY  QA     19 VAL  HB      4.33            #peak  3739
 20 MET  HA     23 GLN  HB2     3.58            #peak  3262
 21 GLU  HA     24 ASP  HB3     3.52            #peak  3653
 23 GLN  HA     26 ARG  QB      4.18            #peak  3750
 27 ASP  HA     30 ILE  HB      3.27            #peak  3751
 33 PRO  HA     36 ARG  H       3.83            #peak  3809
 21 GLU  HA     24 ASP  H       3.45            #peak  3810
  2 SER  HB3     3 LYS  H       3.92            #peak  3812
  7 ASN  QB      8 GLY  H       4.99            #peak  3825
 18 ASN  H      19 VAL  HB      5.13            #peak  3840
 34 GLN  QB     35 HIS  H       4.77            #peak  3844
  4 LEU  HA      7 ASN  QB      4.74            #peak  3870
 11 ASP  H      11 ASP  HB2     3.42            #peak  3901
 11 ASP  H      12 VAL  HB      5.50            #peak  3903
 10 ASP  HA     13 HIS  H       3.73            #peak  3912
 15 LEU  HB3    16 GLY  H       4.26            #peak  3920
 15 LEU  HB2    16 GLY  H       4.26            #peak  3921
 13 HIS  HA     15 LEU  H       4.66            #peak  3924
 12 VAL  HA     15 LEU  H       3.79            #peak  3925
 14 PHE  QB     15 LEU  H       5.23            #peak  3928
 14 PHE  HA     17 SER  H       3.79            #peak  3933
 16 GLY  QA     18 ASN  H       6.38            #peak  3935
 15 LEU  HA     18 ASN  H       3.64            #peak  3936
 19 VAL  HA     23 GLN  H       4.23            #peak  3940
 18 ASN  HA     20 MET  H       3.95            #peak  3945
 17 SER  HA     20 MET  H       4.45            #peak  3946
 18 ASN  HA     22 GLU  H       4.38            #peak  3954
 31 SER  HB2    32 ASP  H       3.79            #peak  3992
 37 ARG  HA     39 LEU  H       4.11            #peak  4024
 36 ARG  HA     40 LEU  H       4.11            #peak  4031
 15 LEU  HA     18 ASN  HB3     3.30            #peak  4063
 18 ASN  H      18 ASN  HB3     3.70            #peak  4065
 18 ASN  HB3    19 VAL  H       4.11            #peak  4066
 28 ILE  HA     30 ILE  H       4.23            #peak  4068
  9 PHE  HA     12 VAL  HB      3.45            #peak  3735
 27 ASP  H      27 ASP  HB2     3.61            #peak  4072
 20 MET  HA     23 GLN  HB3     3.58            #peak  4087
 23 GLN  H      23 GLN  HB3     3.21            #peak  4090
 23 GLN  HB3    24 ASP  H       3.92            #peak  4091
 36 ARG  HA     39 LEU  HB3     3.45            #peak  4103
 36 ARG  HA     39 LEU  HB2     3.45            #peak  4104
 10 ASP  H      10 ASP  HB2     3.58            #peak  4162
  9 PHE  HA     13 HIS  H       4.23            #peak  4170
 12 VAL  HA     15 LEU  HB2     3.89            #peak  3737
 17 SER  HA     19 VAL  H       4.76            #peak  4221
 13 HIS  HA     16 GLY  H       4.01            #peak  4223
  5 LEU  HA      9 PHE  H       4.32            #peak  4228
 26 ARG  QB     27 ASP  H       5.51            #peak  4240
 19 VAL  HA     22 GLU  QB      4.89            #peak  3133
 24 ASP  HA     28 ILE  H       4.42            #peak  4242
 19 VAL  HA     22 GLU  H       3.67            #peak  4271
 20 MET  HA     23 GLN  H       3.36            #peak  4273
 35 HIS  HA     39 LEU  H       4.11            #peak  4295
 37 ARG  HA     40 LEU  HB3     3.92            #peak  4299
 37 ARG  HA     40 LEU  HB2     3.92            #peak  4300
 40 LEU  HA     43 ALA  H       3.73            #peak  4303
 40 LEU  HA     42 ALA  H       4.11            #peak  4304
 39 LEU  HA     42 ALA  H       3.42            #peak  4305
 41 GLN  QB     42 ALA  H       5.08            #peak  4315
 40 LEU  HB2    41 GLN  H       4.48            #peak  4316
 40 LEU  HB3    41 GLN  H       4.48            #peak  4317
 38 LYS  HA     40 LEU  H       4.11            #peak  4318
 38 LYS  HA     42 ALA  H       4.54            #peak  4319
 16 GLY  H      17 SER  QB      6.07            #peak  4331
 28 ILE  HA     31 SER  H       4.57            #peak  4332
 24 ASP  HA     27 ASP  HB2     3.92            #peak  4348
 24 ASP  HA     27 ASP  HB3     3.92            #peak  4349
 29 GLY  QA     31 SER  H       5.29            #peak  4352
 30 ILE  HA     32 ASP  H       3.83            #peak  4363
 29 GLY  QA     32 ASP  H       5.17            #peak  4364
 34 GLN  H      34 GLN  HG2     4.26            #peak    12
 41 GLN  H      41 GLN  HG2     5.50            #peak   136
 41 GLN  H      41 GLN  HG3     5.50            #peak   137
 20 MET  H      20 MET  HG2     5.50            #peak   179
 20 MET  H      20 MET  HG3     5.50            #peak   180
 21 GLU  H      21 GLU  HG2     5.50            #peak   330
  6 LEU  H       6 LEU  HG      5.41            #peak   427
 28 ILE  HA     28 ILE  HG13    4.14            #peak   538
 28 ILE  HA     28 ILE  HG12    4.14            #peak   541
 28 ILE  H      28 ILE  HG13    4.29            #peak    73
 32 ASP  QB     33 PRO  HD3     5.70            #peak   587
 34 GLN  H      34 GLN  HG3     4.26            #peak   232
 38 LYS  QB     38 LYS  QE      7.26            #peak   649
 38 LYS  H      38 LYS  HG3     5.10            #peak  1978
 36 ARG  H      36 ARG  HG2     4.66            #peak   758
 36 ARG  H      36 ARG  HG3     4.66            #peak   844
 44 ARG  H      44 ARG  HG2     4.85            #peak   958
 44 ARG  H      44 ARG  HG3     4.85            #peak   959
 26 ARG  H      26 ARG  HG3     4.01            #peak  1008
 26 ARG  QB     26 ARG  HE      4.67            #peak  1034
 28 ILE  H      28 ILE  HG12    4.29            #peak  1050
  4 LEU  H       4 LEU  HG      5.50            #peak  1112
 15 LEU  H      15 LEU  HG      5.50            #peak  1172
 23 GLN  H      23 GLN  QG      5.51            #peak  1342
  3 LYS  H       3 LYS  QD      6.38            #peak  1457
 38 LYS  H      38 LYS  QD      6.38            #peak  1476
 32 ASP  QB     35 HIS  HB3     6.38            #peak  1735
 44 ARG  HA     44 ARG  QD      5.45            #peak  1815
 38 LYS  H      38 LYS  HG2     5.10            #peak  1977
 44 ARG  H      45 CON2 HN3     4.14            #peak  2117
 44 ARG  H      45 CON2 HN2     3.42            #peak  2118
 43 ALA  HA     45 CON2 HN2     4.11            #peak  2128
 43 ALA  HA     45 CON2 HN3     5.19            #peak  2129
 40 LEU  H      40 LEU  HG      5.22            #peak   296
 37 ARG  H      37 ARG  HG2     4.38            #peak  2206
 30 ILE  H      30 ILE  HG13    4.35            #peak  2297
 30 ILE  H      30 ILE  HG12    4.35            #peak  2296
  5 LEU  H       5 LEU  HG      4.48            #peak  2350
 37 ARG  QB     37 ARG  HE      6.16            #peak  2381
 26 ARG  H      26 ARG  QD      5.67            #peak  2434
 30 ILE  HG13   31 SER  H       5.50            #peak  2461
 30 ILE  HG12   31 SER  H       5.50            #peak  2463
 32 ASP  QB     35 HIS  HD2     6.38            #peak  2478
 32 ASP  QB     35 HIS  HB2     6.38            #peak  2487
 34 GLN  QB     38 LYS  QE      7.26            #peak  2514
 14 PHE  QE     15 LEU  HA      7.63            #peak  2573
 26 ARG  H      26 ARG  HE      5.50            #peak  3023
 14 PHE  QD     15 LEU  HG      7.63            #peak  3077
 14 PHE  H      14 PHE  QD      7.63            #peak  3135
 18 ASN  HA     21 GLU  HG2     5.50            #peak  3235
 34 GLN  QB     37 ARG  QD      7.26            #peak  3280
 14 PHE  QD     15 LEU  HA      7.63            #peak  3305
 18 ASN  H      18 ASN  HD21    5.50            #peak  3452
 18 ASN  H      18 ASN  HD22    5.50            #peak  3453
  9 PHE  H       9 PHE  QD      7.63            #peak  3681
 17 SER  HA     20 MET  HG2     5.50            #peak  3699
 17 SER  HA     20 MET  HG3     5.50            #peak  3700
 19 VAL  HA     22 GLU  HG3     5.50            #peak  3708
 22 GLU  H      22 GLU  HG3     5.50            #peak  3710
 23 GLN  QG     24 ASP  H       6.38            #peak  3712
  6 LEU  HA      9 PHE  QD      7.63            #peak  3729
 32 ASP  HA     33 PRO  HG2     5.44            #peak  3763
 32 ASP  HA     33 PRO  HG3     5.44            #peak  3764
 13 HIS  H      13 HIS  HD2     5.50            #peak  3832
 10 ASP  HA     13 HIS  HD2     5.50            #peak  3837
 15 LEU  HA     18 ASN  HD21    5.50            #peak  3838
 14 PHE  QD     17 SER  QB      8.51            #peak  3839
 34 GLN  HG3    35 HIS  H       5.50            #peak  3845
 34 GLN  HG2    35 HIS  H       5.50            #peak  3846
 15 LEU  HA     18 ASN  HD22    5.50            #peak  3938
 22 GLU  H      23 GLN  QG      6.38            #peak  3953
 32 ASP  QB     33 PRO  HD2     5.70            #peak  3995
 22 GLU  H      22 GLU  HG2     5.50            #peak  4041
 37 ARG  H      37 ARG  HG3     4.38            #peak  4054
 21 GLU  H      21 GLU  HG3     5.50            #peak  4082
 18 ASN  HA     21 GLU  HG3     5.50            #peak  4093
 26 ARG  H      26 ARG  HG2     4.01            #peak  4096
 35 HIS  HD2    36 ARG  HA      5.50            #peak  4108
 23 GLN  HB3    26 ARG  QD      6.38            #peak  4116
  9 PHE  QD     10 ASP  H       7.63            #peak  4141
  9 PHE  QD     10 ASP  HA      7.63            #peak  4144
 19 VAL  HA     22 GLU  HG2     5.50            #peak  4270
 20 MET  HA     23 GLN  QG      6.38            #peak  4282
 23 GLN  HB2    26 ARG  QD      6.38            #peak  4284
 23 GLN  QG     26 ARG  QD      7.26            #peak  4285
 35 HIS  HD2    39 LEU  HB2     5.50            #peak  4321
 35 HIS  HD2    39 LEU  HB3     5.50            #peak  4322
 32 ASP  QB     35 HIS  HE1     6.38            #peak  4344
 34 GLN  HA     38 LYS  QE      6.38            #peak  4351
 30 ILE  HA     35 HIS  HE1     5.50            #peak  4356
 29 GLY  QA     35 HIS  HE1     6.38            #peak  4357
 31 SER  HA     35 HIS  HE1     5.50            #peak  4358
 35 HIS  HD2    38 LYS  QB      6.38            #peak  4387
 34 GLN  QB     35 HIS  HD2     6.38            #peak  4388
 35 HIS  HB2    38 LYS  QB      6.38            #peak  4389
 35 HIS  HB3    38 LYS  QB      6.38            #peak  4390
  9 PHE  QD     13 HIS  HE1     7.63            #peak  4393
  9 PHE  QE     13 HIS  HE1     7.63            #peak  4394
 12 VAL  H      12 VAL  QG2     5.74            #peak    18
 28 ILE  H      28 ILE  QG2     5.03            #peak    74
 28 ILE  H      28 ILE  QD1     4.51            #peak    75
 12 VAL  QG1    13 HIS  H       5.96            #peak  1227
 19 VAL  QG1    20 MET  H       5.62            #peak  1053
  5 LEU  H       5 LEU  QD2     5.81            #peak    43
  6 LEU  H       6 LEU  QQD     7.60            #peak   428
 12 VAL  H      12 VAL  QG1     5.74            #peak    17
 28 ILE  HA     28 ILE  QG2     4.10            #peak   539
 28 ILE  HA     28 ILE  QD1     4.88            #peak   518
 39 LEU  H      39 LEU  QQD     7.60            #peak   683
 42 ALA  H      43 ALA  QB      5.46            #peak   705
 42 ALA  QB     43 ALA  H       4.41            #peak  2132
 12 VAL  QG2    13 HIS  HD2     6.52            #peak   864
 25 LEU  H      25 LEU  QD1     5.37            #peak   869
 28 ILE  QG2    29 GLY  H       5.53            #peak  1045
 28 ILE  QD1    29 GLY  H       6.52            #peak  1046
  4 LEU  H       4 LEU  QD1     6.52            #peak  1110
 15 LEU  H      15 LEU  QQD     7.60            #peak  1173
 12 VAL  QG2    13 HIS  H       5.96            #peak  1228
 19 VAL  QG2    20 MET  H       5.62            #peak  1498
 43 ALA  QB     44 ARG  H       5.00            #peak  1293
 43 ALA  QB     45 CON2 HN2     6.24            #peak  1419
  4 LEU  H       4 LEU  QD2     6.52            #peak  1442
 25 LEU  H      25 LEU  QD2     5.37            #peak  1766
 40 LEU  H      40 LEU  QQD     7.60            #peak  1799
 41 GLN  QB     42 ALA  QB      7.40            #peak  2138
 30 ILE  H      30 ILE  QG2     5.03            #peak  2298
 30 ILE  H      30 ILE  QD1     6.12            #peak  2299
 25 LEU  QD1    26 ARG  H       6.52            #peak  2429
 25 LEU  QD2    26 ARG  H       6.52            #peak  2430
 12 VAL  QG1    13 HIS  HD2     6.52            #peak  2581
 27 ASP  HA     30 ILE  QD1     5.16            #peak  2628
 14 PHE  QE     15 LEU  QQD     9.73            #peak  3073
 39 LEU  HA     42 ALA  QB      4.07            #peak  3797
 40 LEU  HA     43 ALA  QB      4.07            #peak  3497
  9 PHE  HA     12 VAL  QG1     5.53            #peak  3307
  9 PHE  HA     12 VAL  QG2     5.53            #peak  3909
 27 ASP  HA     30 ILE  QG2     5.99            #peak  3987
 30 ILE  QG2    31 SER  HA      5.43            #peak  3988
  5 LEU  H       5 LEU  QD1     5.81            #peak  4029
 30 ILE  QG2    31 SER  H       5.77            #peak  4195
 15 LEU  QQD    16 GLY  H       7.60            #peak  4197
  6 LEU  QQD     9 PHE  QD      9.73            #peak  4258
 14 PHE  QD     15 LEU  QQD     9.73            #peak  4260
 15 LEU  QQD    18 ASN  H       7.60            #peak  4268
 39 LEU  QQD    43 ALA  QB      8.62            #peak  4309
 39 LEU  QQD    42 ALA  QB      8.62            #peak  4310
 36 ARG  QD     40 LEU  QQD     8.48            #peak  4320
 30 ILE  QG2    35 HIS  HE1     6.52            #peak  4360
 30 ILE  QD1    35 HIS  HE1     6.52            #peak  4361
 26 ARG  QD     30 ILE  QD1     6.72            #peak  4368
 26 ARG  HE     30 ILE  QD1     6.52            #peak  4370
 26 ARG  QD     30 ILE  QG2     7.40            #peak  4374
  2 SER  H       2 SER  QB      3.30            #peak    63
  2 SER  QB      3 LYS  H       3.24            #peak  2342
  3 LYS  H       3 LYS  QG      4.29            #peak   209
  3 LYS  QB      4 LEU  H       3.85            #peak  3581
  4 LEU  H       4 LEU  QB      3.07            #peak    50
  5 LEU  H       5 LEU  QQD     4.90            #peak    43
  6 LEU  H       6 LEU  QB      3.22            #peak    32
  7 ASN  H       7 ASN  QD2     5.34            #peak  3877
  7 ASN  HA     10 ASP  QB      3.64            #peak  3736
  9 PHE  H       9 PHE  QB      3.11            #peak   324
  9 PHE  HA     12 VAL  QQG     4.76            #peak  3307
  9 PHE  QB     10 ASP  H       3.59            #peak  1207
  9 PHE  QB     12 VAL  QQG     6.19            #peak  4373
  9 PHE  QD     12 VAL  QQG     8.44            #peak  4194
 10 ASP  HA     13 HIS  QB      3.38            #peak  3553
 10 ASP  QB     11 ASP  H       3.38            #peak  4161
 11 ASP  H      12 VAL  QQG     6.42            #peak  3905
 11 ASP  QB     12 VAL  QQG     6.19            #peak  4340
 12 VAL  HA     15 LEU  QB      3.32            #peak  3738
 12 VAL  QQG    13 HIS  H       5.13            #peak  1228
 12 VAL  QQG    14 PHE  H       5.70            #peak  4177
 12 VAL  QQG    15 LEU  QB      5.72            #peak  4219
 12 VAL  QQG    15 LEU  HG      6.42            #peak  4218
 13 HIS  QB     13 HIS  HD2     3.45            #peak   101
 14 PHE  QD     15 LEU  QB      7.32            #peak  3076
 14 PHE  QD     18 ASN  QD2     7.31            #peak  1464
 14 PHE  QE     18 ASN  QD2     7.31            #peak  2450
 15 LEU  HA     19 VAL  QQG     6.09            #peak  4237
 15 LEU  QB     16 GLY  H       3.67            #peak  3921
 16 GLY  H      19 VAL  QQG     6.42            #peak  4198
 18 ASN  H      18 ASN  QB      3.10            #peak   193
 18 ASN  H      18 ASN  QD2     4.73            #peak  3452
 18 ASN  H      19 VAL  QQG     6.42            #peak  1448
 18 ASN  HA     21 GLU  QB      3.27            #peak  3650
 18 ASN  HA     21 GLU  QG      4.83            #peak  4093
 18 ASN  QB     19 VAL  H       3.55            #peak  1052
 18 ASN  QB     19 VAL  QQG     6.19            #peak  4339
 19 VAL  QQG    20 MET  H       4.42            #peak  1498
 19 VAL  QQG    20 MET  HA      6.42            #peak  1960
 19 VAL  QQG    22 GLU  QG      5.72            #peak  4278
 19 VAL  QQG    23 GLN  QG      7.26            #peak  2006
 19 VAL  QQG    23 GLN  QE2     5.51            #peak  1876
 20 MET  QG     23 GLN  H       5.34            #peak  4286
 21 GLU  H      21 GLU  QB      3.22            #peak   331
 21 GLU  QG     22 GLU  H       4.58            #peak  3829
 21 GLU  QG     25 LEU  QB      5.18            #peak  2908
 21 GLU  QG     25 LEU  QQD     5.72            #peak  3979
 22 GLU  H      22 GLU  QG      4.68            #peak  3710
 22 GLU  QG     23 GLN  H       5.26            #peak  4042
 23 GLN  HA     26 ARG  QG      5.34            #peak  4353
 24 ASP  H      25 LEU  QQD     6.21            #peak  4097
 24 ASP  HA     27 ASP  QB      3.38            #peak  4349
 24 ASP  QB     25 LEU  H       3.50            #peak  3676
 25 LEU  H      25 LEU  QB      3.51            #peak   866
 25 LEU  H      25 LEU  QQD     4.51            #peak  1766
 26 ARG  H      26 ARG  QG      3.46            #peak  4096
 27 ASP  HA     30 ILE  QG1     4.40            #peak  2630
 27 ASP  QB     28 ILE  H       3.32            #peak  2265
 27 ASP  QB     30 ILE  QD1     6.29            #peak  4392
 28 ILE  H      28 ILE  QG1     3.53            #peak  1050
 28 ILE  HA     28 ILE  QG1     3.47            #peak   541
 28 ILE  QG1    29 GLY  H       5.34            #peak  1049
 30 ILE  H      30 ILE  QG1     3.72            #peak  2297
 31 SER  H      31 SER  QB      2.95            #peak  3015
 32 ASP  HA     33 PRO  QG      4.71            #peak  3764
 34 GLN  H      34 GLN  QG      3.66            #peak    12
 35 HIS  QB     36 ARG  H       3.24            #peak  1368
 35 HIS  HD2    39 LEU  QB      4.68            #peak  4322
 36 ARG  H      36 ARG  QB      3.12            #peak  1380
 36 ARG  H      36 ARG  QG      3.83            #peak   758
 36 ARG  QB     36 ARG  HE      4.36            #peak  4005
 37 ARG  H      37 ARG  QG      3.80            #peak  2206
 37 ARG  HA     40 LEU  QB      3.38            #peak  4300
 37 ARG  QG     38 LYS  H       5.34            #peak  4297
 38 LYS  QG     39 LEU  H       5.34            #peak  1980
 39 LEU  QB     40 LEU  H       4.12            #peak  3848
 40 LEU  H      40 LEU  QB      3.32            #peak   294
 40 LEU  QB     41 GLN  H       3.78            #peak  4317
 44 ARG  H      44 ARG  QB      2.96            #peak   957
 44 ARG  H      44 ARG  QG      4.17            #peak   959
 44 ARG  QB     45 CON2 HN2     4.36            #peak  1280
 44 ARG  QG     45 CON2 HN2     4.79            #peak  2127
   2 SER   PHI    -315.0   -45.0
   2 SER   PHI    -185.0    75.0
   2 SER   PSI    -245.0    -5.0
   2 SER   PSI     -85.0   205.0
   3 LYS   PHI    -185.0   -45.0
   3 LYS   CHI1   -335.0   -25.0
   3 LYS   CHI1   -205.0    95.0
   3 LYS   CHI2   -325.0   -35.0
   3 LYS   PSI     -85.0    65.0
   4 LEU   PHI    -315.0   -45.0
   4 LEU   PHI    -185.0    75.0
   4 LEU   CHI1   -345.0    -5.0
   4 LEU   CHI1   -215.0   105.0
   4 LEU   CHI2   -325.0   -35.0
   4 LEU   CHI2    -95.0   205.0
   4 LEU   PSI     -85.0    85.0
   5 LEU   PHI    -315.0   -45.0
   5 LEU   PHI    -185.0    65.0
   5 LEU   CHI1   -345.0    -5.0
   5 LEU   CHI1   -215.0   105.0
   5 LEU   CHI2   -325.0   -35.0
   5 LEU   CHI2    -95.0   205.0
   5 LEU   PSI     -85.0    95.0
   6 LEU   PHI    -315.0   -45.0
   6 LEU   PHI    -185.0    75.0
   6 LEU   CHI1   -355.0    -5.0
   6 LEU   CHI1   -215.0   105.0
   6 LEU   CHI2   -325.0   -35.0
   6 LEU   CHI2    -95.0   205.0
   6 LEU   PSI     -85.0    85.0
   7 ASN   PHI    -315.0   -45.0
   7 ASN   PHI    -185.0    75.0
   7 ASN   CHI1   -225.0   115.0
   7 ASN   CHI2   -145.0   145.0
   7 ASN   PSI     -85.0    85.0
   8 GLY   PHI    -315.0   -45.0
   8 GLY   PSI     -95.0    95.0
   9 PHE   PHI    -185.0   -45.0
   9 PHE   CHI1   -325.0   -25.0
   9 PHE   CHI1   -205.0    95.0
   9 PHE   CHI2   -335.0   -25.0
   9 PHE   CHI2   -155.0   155.0
   9 PHE   PSI     -85.0    25.0
  10 ASP   PHI    -185.0   -45.0
  10 ASP   CHI1   -275.0    65.0
  10 ASP   CHI1   -225.0   115.0
  10 ASP   PSI     -85.0     5.0
  11 ASP   PHI    -315.0   -45.0
  11 ASP   PHI    -185.0    65.0
  11 ASP   CHI1      5.0   345.0
  11 ASP   CHI1   -225.0   115.0
  11 ASP   PSI     -85.0    85.0
  12 VAL   PHI    -175.0   -45.0
  12 VAL   CHI1     45.0   205.0
  12 VAL   CHI1   -195.0    85.0
  12 VAL   PSI     -85.0    75.0
  13 HIS   PHI    -185.0   -45.0
  13 HIS   CHI1   -205.0   -75.0
  13 HIS   PSI     -85.0    85.0
  14 PHE   PHI    -315.0   -45.0
  14 PHE   PHI    -185.0    75.0
  14 PHE   CHI1   -335.0   -25.0
  14 PHE   CHI1   -205.0    95.0
  14 PHE   CHI2   -335.0   -25.0
  14 PHE   CHI2   -155.0   155.0
  14 PHE   PSI     -85.0    95.0
  15 LEU   PHI    -315.0   -45.0
  15 LEU   PHI    -185.0    75.0
  15 LEU   CHI1   -355.0    -5.0
  15 LEU   CHI1   -215.0   105.0
  15 LEU   CHI2   -325.0   -35.0
  15 LEU   CHI2    -95.0   205.0
  15 LEU   PSI     -85.0    35.0
  16 GLY   PHI    -315.0   -45.0
  16 GLY   PSI    -105.0   105.0
  17 SER   PHI    -315.0   -45.0
  17 SER   PHI    -185.0    75.0
  17 SER   PSI     -85.0    95.0
  18 ASN   PHI    -185.0   -45.0
  18 ASN   CHI1   -225.0   105.0
  18 ASN   CHI2   -145.0   145.0
  18 ASN   PSI     -85.0    25.0
  19 VAL   PHI    -175.0   -45.0
  19 VAL   CHI1     45.0   205.0
  19 VAL   CHI1   -195.0    85.0
  19 VAL   PSI     -85.0    75.0
  20 MET   PHI    -315.0   -45.0
  20 MET   PHI    -185.0    75.0
  20 MET   CHI1   -335.0   -25.0
  20 MET   CHI1   -205.0    95.0
  20 MET   CHI2   -315.0   -45.0
  20 MET   PSI     -85.0    85.0
  21 GLU   PHI    -315.0   -45.0
  21 GLU   PHI    -185.0    75.0
  21 GLU   CHI1   -335.0   -25.0
  21 GLU   CHI1   -205.0    95.0
  21 GLU   CHI2   -345.0   -15.0
  21 GLU   PSI     -85.0    95.0
  22 GLU   PHI    -315.0   -45.0
  22 GLU   PHI    -185.0    75.0
  22 GLU   CHI1   -335.0   -25.0
  22 GLU   CHI1   -205.0    95.0
  22 GLU   CHI2   -345.0   -15.0
  22 GLU   PSI     -85.0    95.0
  23 GLN   PHI    -175.0   -45.0
  23 GLN   CHI1   -205.0   -95.0
  23 GLN   CHI2   -335.0   -25.0
  23 GLN   PSI     -85.0    15.0
  24 ASP   PHI    -185.0   -45.0
  24 ASP   CHI1   -285.0    65.0
  24 ASP   CHI1   -225.0   115.0
  24 ASP   PSI     -85.0    15.0
  25 LEU   PHI    -315.0   -45.0
  25 LEU   PHI    -185.0    75.0
  25 LEU   CHI1   -355.0    -5.0
  25 LEU   CHI1   -215.0   105.0
  25 LEU   CHI2   -325.0   -35.0
  25 LEU   CHI2    -95.0   205.0
  25 LEU   PSI     -85.0    85.0
  26 ARG   PHI    -315.0   -45.0
  26 ARG   PHI    -185.0    75.0
  26 ARG   CHI1   -335.0   -25.0
  26 ARG   CHI1   -135.0    95.0
  26 ARG   CHI2   -325.0   -35.0
  26 ARG   PSI     -85.0    95.0
  27 ASP   PHI    -185.0   -45.0
  27 ASP   CHI1   -225.0    65.0
  27 ASP   PSI     -85.0     5.0
  28 ILE   PHI    -155.0   -45.0
  28 ILE   CHI1    -75.0   -35.0
  28 ILE   CHI21  -285.0   -45.0
  28 ILE   CHI21   -85.0   195.0
  28 ILE   PSI     -75.0   -15.0
  29 GLY   PHI    -315.0   -45.0
  29 GLY   PSI    -105.0   105.0
  30 ILE   PHI    -155.0   -45.0
  30 ILE   CHI1    -75.0   -25.0
  30 ILE   CHI21  -285.0   -45.0
  30 ILE   CHI21   -85.0   195.0
  30 ILE   PSI     -85.0    25.0
  31 SER   PHI    -185.0   -45.0
  31 SER   CHI1   -255.0    95.0
  31 SER   PSI     -85.0     5.0
  32 ASP   PHI    -315.0   -45.0
  32 ASP   PHI    -185.0    75.0
  32 ASP   CHI1   -195.0   115.0
  32 ASP   PSI      55.0   165.0
  32 ASP   PSI    -215.0    85.0
  33 PRO   PSI    -295.0     5.0
  33 PRO   PSI     -55.0   195.0
  34 GLN   PHI    -315.0   -45.0
  34 GLN   PHI    -185.0    75.0
  34 GLN   CHI1   -335.0   -25.0
  34 GLN   CHI1   -155.0    95.0
  34 GLN   CHI2   -345.0   -15.0
  34 GLN   PSI     -85.0    85.0
  35 HIS   PHI    -155.0   -45.0
  35 HIS   CHI1   -205.0  -115.0
  35 HIS   PSI     -85.0    -5.0
  36 ARG   PHI    -315.0   -45.0
  36 ARG   PHI    -175.0    75.0
  36 ARG   CHI1   -325.0   -25.0
  36 ARG   CHI1   -205.0    95.0
  36 ARG   CHI1   -165.0   175.0
  36 ARG   CHI2   -325.0   -35.0
  36 ARG   PSI     -85.0    85.0
  37 ARG   PHI    -315.0   -45.0
  37 ARG   PHI    -185.0    75.0
  37 ARG   CHI1   -335.0   -25.0
  37 ARG   CHI1   -205.0    95.0
  37 ARG   CHI1   -175.0   175.0
  37 ARG   CHI2   -325.0   -35.0
  37 ARG   PSI     -85.0    85.0
  38 LYS   PHI    -315.0   -45.0
  38 LYS   PHI    -185.0    75.0
  38 LYS   CHI1   -335.0   -25.0
  38 LYS   CHI1   -205.0    95.0
  38 LYS   CHI2   -325.0   -35.0
  38 LYS   PSI     -85.0    85.0
  39 LEU   PHI    -185.0   -45.0
  39 LEU   CHI1   -215.0   -85.0
  39 LEU   CHI2   -325.0   -35.0
  39 LEU   CHI2    -85.0   205.0
  39 LEU   PSI     -85.0    85.0
  40 LEU   PHI    -315.0   -45.0
  40 LEU   PHI    -185.0    75.0
  40 LEU   CHI1   -355.0    -5.0
  40 LEU   CHI1   -215.0   105.0
  40 LEU   CHI2   -325.0   -35.0
  40 LEU   CHI2    -95.0   205.0
  40 LEU   PSI    -295.0    55.0
  40 LEU   PSI     -85.0    85.0
  41 GLN   PHI    -315.0   -45.0
  41 GLN   PHI    -185.0    75.0
  41 GLN   CHI1   -335.0   -25.0
  41 GLN   CHI1   -205.0    95.0
  41 GLN   CHI2   -345.0   -15.0
  41 GLN   PSI     -85.0    85.0
  42 ALA   PHI    -315.0   -45.0
  42 ALA   PHI    -185.0    75.0
  42 ALA   PSI     -85.0    85.0
  43 ALA   PHI    -315.0   -45.0
  43 ALA   PHI    -185.0    75.0
  43 ALA   PSI     -85.0    95.0
  44 ARG   PHI    -185.0   -45.0
  44 ARG   CHI1   -325.0   -25.0
  44 ARG   CHI1   -205.0    95.0
  44 ARG   CHI2   -325.0   -35.0
  44 ARG   PSI     -85.0   105.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1   0.000   0.000   0.000
    2    H2   ACE   1           H2       ACE   1   0.890   0.000  -1.542
    3    H3   ACE   1           H3       ACE   1   1.780   0.000   0.000
    4    H    SER   2           H        SER   2   2.517   1.841   0.648
    5    HA   SER   2           HA       SER   2   1.497   4.303  -0.559
    6    HB2  SER   2           HB2      SER   2   1.711   3.781   2.409
    7    HB3  SER   2           HB3      SER   2   1.622   5.405   1.728
    8    HG   SER   2           HG       SER   2  -0.347   3.522   2.047
    9    H    LYS   3           H        LYS   3   2.978   6.062  -0.505
   10    HA   LYS   3           HA       LYS   3   5.655   5.346  -0.932
   11    HB2  LYS   3           HB2      LYS   3   4.111   7.588  -1.378
   12    HB3  LYS   3           HB3      LYS   3   5.259   8.142  -0.166
   13    HG2  LYS   3           HG2      LYS   3   6.924   6.869  -1.863
   14    HG3  LYS   3           HG3      LYS   3   5.678   7.422  -2.985
   15    HD2  LYS   3           HD2      LYS   3   6.499   9.446  -1.039
   16    HD3  LYS   3           HD3      LYS   3   7.802   8.913  -2.104
   17    HE2  LYS   3           HE2      LYS   3   5.397   9.305  -3.618
   18    HE3  LYS   3           HE3      LYS   3   5.749  10.749  -2.669
   19    HZ1  LYS   3           HZ1      LYS   3   7.379  11.270  -4.053
   20    HZ2  LYS   3           HZ2      LYS   3   6.927   9.979  -5.048
   21    HZ3  LYS   3           HZ3      LYS   3   8.115   9.759  -3.863
   22    H    LEU   4           H        LEU   4   4.206   7.141   1.786
   23    HA   LEU   4           HA       LEU   4   4.969   7.582   3.889
   24    HB2  LEU   4           HB2      LEU   4   4.500   5.119   3.936
   25    HB3  LEU   4           HB3      LEU   4   6.220   4.853   3.659
   26    HG   LEU   4           HG       LEU   4   6.074   6.543   5.887
   27   HD11  LEU   4          HD11      LEU   4   4.322   4.197   6.460
   28   HD12  LEU   4          HD12      LEU   4   3.614   5.684   5.830
   29   HD13  LEU   4          HD13      LEU   4   4.507   5.708   7.350
   30   HD21  LEU   4          HD21      LEU   4   6.898   3.796   5.234
   31   HD22  LEU   4          HD22      LEU   4   6.572   4.102   6.940
   32   HD23  LEU   4          HD23      LEU   4   7.768   5.075   6.082
   33    H    LEU   5           H        LEU   5   6.627   8.591   1.847
   34    HA   LEU   5           HA       LEU   5   9.373   8.032   2.539
   35    HB2  LEU   5           HB2      LEU   5   8.725   8.569   0.239
   36    HB3  LEU   5           HB3      LEU   5   8.188  10.163   0.765
   37    HG   LEU   5           HG       LEU   5  10.961   9.652   1.465
   38   HD11  LEU   5          HD11      LEU   5  11.465   8.488  -0.404
   39   HD12  LEU   5          HD12      LEU   5  11.465  10.096  -1.128
   40   HD13  LEU   5          HD13      LEU   5  10.045   9.061  -1.279
   41   HD21  LEU   5          HD21      LEU   5  11.239  11.827   0.332
   42   HD22  LEU   5          HD22      LEU   5   9.960  11.850   1.546
   43   HD23  LEU   5          HD23      LEU   5   9.549  11.759  -0.168
   44    H    LEU   6           H        LEU   6   6.956  10.442   3.284
   45    HA   LEU   6           HA       LEU   6   8.624  12.444   4.324
   46    HB2  LEU   6           HB2      LEU   6   5.769  11.715   4.543
   47    HB3  LEU   6           HB3      LEU   6   6.413  12.750   5.817
   48    HG   LEU   6           HG       LEU   6   5.318  14.013   4.006
   49   HD11  LEU   6          HD11      LEU   6   8.025  14.394   4.977
   50   HD12  LEU   6          HD12      LEU   6   6.706  15.553   4.815
   51   HD13  LEU   6          HD13      LEU   6   7.742  15.199   3.433
   52   HD21  LEU   6          HD21      LEU   6   6.108  12.327   2.237
   53   HD22  LEU   6          HD22      LEU   6   7.610  13.253   2.227
   54   HD23  LEU   6          HD23      LEU   6   6.086  14.037   1.805
   55    H    ASN   7           H        ASN   7   7.157   9.604   5.832
   56    HA   ASN   7           HA       ASN   7   7.806  10.129   8.488
   57    HB2  ASN   7           HB2      ASN   7   6.463   8.157   7.316
   58    HB3  ASN   7           HB3      ASN   7   8.005   7.324   7.490
   59   HD21  ASN   7          HD21      ASN   7   7.883   6.016   9.159
   60   HD22  ASN   7          HD22      ASN   7   7.227   6.403  10.710
   61    H    GLY   8           H        GLY   8   9.803   9.090   5.843
   62    HA2  GLY   8           HA2      GLY   8  12.007   8.371   7.620
   63    HA3  GLY   8           HA3      GLY   8  11.982   8.198   5.872
   64    H    PHE   9           H        PHE   9  11.164  10.855   5.258
   65    HA   PHE   9           HA       PHE   9  13.686  12.136   5.238
   66    HB2  PHE   9           HB2      PHE   9  11.411  12.387   3.767
   67    HB3  PHE   9           HB3      PHE   9  11.316  13.830   4.771
   68    HD1  PHE   9           HD2      PHE   9  13.649  15.133   4.944
   69    HD2  PHE   9           HD1      PHE   9  12.461  12.588   1.746
   70    HE1  PHE   9           HE2      PHE   9  15.233  16.277   3.449
   71    HE2  PHE   9           HE1      PHE   9  14.045  13.727   0.246
   72    HZ   PHE   9           HZ       PHE   9  15.432  15.575   1.097
   73    H    ASP  10           H        ASP  10  10.982  12.254   7.400
   74    HA   ASP  10           HA       ASP  10  11.275  14.715   8.618
   75    HB2  ASP  10           HB2      ASP  10   9.699  12.552   9.061
   76    HB3  ASP  10           HB3      ASP  10  10.769  12.458  10.457
   77    H    ASP  11           H        ASP  11  12.833  11.658   9.585
   78    HA   ASP  11           HA       ASP  11  14.382  12.672  11.662
   79    HB2  ASP  11           HB2      ASP  11  13.994  10.211  10.746
   80    HB3  ASP  11           HB3      ASP  11  15.525  10.526   9.933
   81    H    VAL  12           H        VAL  12  14.794  12.923   8.232
   82    HA   VAL  12           HA       VAL  12  17.569  13.705   8.369
   83    HB   VAL  12           HB       VAL  12  15.650  13.955   6.050
   84   HG11  VAL  12          HG11      VAL  12  17.544  15.364   5.712
   85   HG12  VAL  12          HG12      VAL  12  18.654  14.097   6.238
   86   HG13  VAL  12          HG13      VAL  12  17.771  13.924   4.720
   87   HG21  VAL  12          HG21      VAL  12  15.687  11.670   6.486
   88   HG22  VAL  12          HG22      VAL  12  16.964  11.871   5.286
   89   HG23  VAL  12          HG23      VAL  12  17.377  11.694   6.991
   90    H    HIS  13           H        HIS  13  14.450  15.306   7.885
   91    HA   HIS  13           HA       HIS  13  15.348  17.876   7.323
   92    HB2  HIS  13           HB2      HIS  13  12.865  16.632   8.040
   93    HB3  HIS  13           HB3      HIS  13  13.042  18.131   8.947
   94    HD1  HIS  13           HD1      HIS  13  12.574  20.260   7.719
   95    HD2  HIS  13           HD2      HIS  13  13.000  17.013   5.162
   96    HE1  HIS  13           HE1      HIS  13  11.934  21.111   5.441
   97    H    PHE  14           H        PHE  14  15.331  16.122  10.307
   98    HA   PHE  14           HA       PHE  14  15.764  18.493  11.924
   99    HB2  PHE  14           HB2      PHE  14  14.437  16.489  12.712
  100    HB3  PHE  14           HB3      PHE  14  15.959  15.608  12.795
  101    HD1  PHE  14           HD1      PHE  14  15.150  19.112  13.748
  102    HD2  PHE  14           HD2      PHE  14  16.370  15.244  15.038
  103    HE1  PHE  14           HE1      PHE  14  15.529  19.991  16.015
  104    HE2  PHE  14           HE2      PHE  14  16.750  16.116  17.307
  105    HZ   PHE  14           HZ       PHE  14  16.328  18.492  17.798
  106    H    LEU  15           H        LEU  15  17.589  15.697  10.769
  107    HA   LEU  15           HA       LEU  15  19.952  16.020  12.157
  108    HB2  LEU  15           HB2      LEU  15  19.158  14.819   9.595
  109    HB3  LEU  15           HB3      LEU  15  20.863  15.247   9.718
  110    HG   LEU  15           HG       LEU  15  19.368  13.410  11.589
  111   HD11  LEU  15          HD11      LEU  15  19.617  12.114   9.718
  112   HD12  LEU  15          HD12      LEU  15  21.158  11.816  10.523
  113   HD13  LEU  15          HD13      LEU  15  21.069  12.963   9.186
  114   HD21  LEU  15          HD21      LEU  15  22.109  13.055  11.868
  115   HD22  LEU  15          HD22      LEU  15  21.021  13.842  13.013
  116   HD23  LEU  15          HD23      LEU  15  21.890  14.804  11.816
  117    H    GLY  16           H        GLY  16  18.806  17.742   9.303
  118    HA2  GLY  16           HA2      GLY  16  21.112  19.037   8.498
  119    HA3  GLY  16           HA3      GLY  16  19.499  19.724   8.370
  120    H    SER  17           H        SER  17  18.654  20.552  10.590
  121    HA   SER  17           HA       SER  17  20.132  22.762  11.329
  122    HB2  SER  17           HB2      SER  17  17.766  21.368  12.361
  123    HB3  SER  17           HB3      SER  17  18.653  22.263  13.595
  124    HG   SER  17           HG       SER  17  16.949  23.372  12.220
  125    H    ASN  18           H        ASN  18  20.283  19.496  12.556
  126    HA   ASN  18           HA       ASN  18  21.776  20.067  14.902
  127    HB2  ASN  18           HB2      ASN  18  20.563  17.818  13.807
  128    HB3  ASN  18           HB3      ASN  18  22.280  17.430  13.771
  129   HD21  ASN  18          HD21      ASN  18  19.512  17.984  15.740
  130   HD22  ASN  18          HD22      ASN  18  20.230  17.545  17.250
  131    H    VAL  19           H        VAL  19  22.742  18.800  11.715
  132    HA   VAL  19           HA       VAL  19  25.476  18.630  12.157
  133    HB   VAL  19           HB       VAL  19  24.187  19.431   9.546
  134   HG11  VAL  19          HG11      VAL  19  26.114  18.372   8.522
  135   HG12  VAL  19          HG12      VAL  19  26.638  19.638   9.634
  136   HG13  VAL  19          HG13      VAL  19  26.750  17.943  10.109
  137   HG21  VAL  19          HG21      VAL  19  24.744  16.668   9.602
  138   HG22  VAL  19          HG22      VAL  19  23.864  17.042  11.084
  139   HG23  VAL  19          HG23      VAL  19  23.169  17.457   9.518
  140    H    MET  20           H        MET  20  23.482  21.418  11.602
  141    HA   MET  20           HA       MET  20  25.702  23.165  10.994
  142    HB2  MET  20           HB2      MET  20  23.510  23.588   9.994
  143    HB3  MET  20           HB3      MET  20  22.803  23.782  11.592
  144    HG2  MET  20           HG2      MET  20  24.497  25.677  11.899
  145    HG3  MET  20           HG3      MET  20  24.707  25.587  10.152
  146    HE1  MET  20           HE1      MET  20  23.450  27.345  12.749
  147    HE2  MET  20           HE2      MET  20  22.001  28.204  12.225
  148    HE3  MET  20           HE3      MET  20  21.859  26.629  13.007
  149    H    GLU  21           H        GLU  21  23.652  22.413  13.759
  150    HA   GLU  21           HA       GLU  21  24.619  24.493  15.432
  151    HB2  GLU  21           HB2      GLU  21  22.514  23.499  15.971
  152    HB3  GLU  21           HB3      GLU  21  23.218  21.889  16.024
  153    HG2  GLU  21           HG2      GLU  21  23.793  22.105  18.156
  154    HG3  GLU  21           HG3      GLU  21  24.504  23.695  17.886
  155    H    GLU  22           H        GLU  22  25.720  21.270  14.687
  156    HA   GLU  22           HA       GLU  22  27.576  21.131  16.881
  157    HB2  GLU  22           HB2      GLU  22  28.371  19.076  15.793
  158    HB3  GLU  22           HB3      GLU  22  26.621  19.085  15.969
  159    HG2  GLU  22           HG2      GLU  22  26.358  19.675  13.637
  160    HG3  GLU  22           HG3      GLU  22  28.107  19.768  13.442
  161    H    GLN  23           H        GLN  23  27.683  22.022  13.487
  162    HA   GLN  23           HA       GLN  23  30.561  22.281  13.472
  163    HB2  GLN  23           HB2      GLN  23  28.575  21.981  11.515
  164    HB3  GLN  23           HB3      GLN  23  29.241  23.588  11.259
  165    HG2  GLN  23           HG2      GLN  23  31.529  22.452  11.353
  166    HG3  GLN  23           HG3      GLN  23  30.640  20.943  11.157
  167   HE21  GLN  23          HE21      GLN  23  29.007  21.023   9.310
  168   HE22  GLN  23          HE22      GLN  23  29.569  21.720   7.833
  169    H    ASP  24           H        ASP  24  27.823  24.269  14.120
  170    HA   ASP  24           HA       ASP  24  29.165  26.776  13.682
  171    HB2  ASP  24           HB2      ASP  24  26.703  26.521  13.457
  172    HB3  ASP  24           HB3      ASP  24  26.602  26.220  15.189
  173    H    LEU  25           H        LEU  25  28.778  24.546  16.305
  174    HA   LEU  25           HA       LEU  25  29.610  26.448  18.324
  175    HB2  LEU  25           HB2      LEU  25  28.367  23.874  18.273
  176    HB3  LEU  25           HB3      LEU  25  29.797  23.805  19.300
  177    HG   LEU  25           HG       LEU  25  28.901  25.705  20.609
  178   HD11  LEU  25          HD11      LEU  25  26.310  25.952  20.210
  179   HD12  LEU  25          HD12      LEU  25  26.753  25.510  18.562
  180   HD13  LEU  25          HD13      LEU  25  27.473  26.932  19.316
  181   HD21  LEU  25          HD21      LEU  25  27.668  24.349  21.954
  182   HD22  LEU  25          HD22      LEU  25  28.363  23.119  20.898
  183   HD23  LEU  25          HD23      LEU  25  26.719  23.696  20.617
  184    H    ARG  26           H        ARG  26  31.044  24.067  16.256
  185    HA   ARG  26           HA       ARG  26  33.538  24.047  17.764
  186    HB2  ARG  26           HB2      ARG  26  34.258  22.314  16.281
  187    HB3  ARG  26           HB3      ARG  26  32.598  21.959  16.740
  188    HG2  ARG  26           HG2      ARG  26  32.236  21.675  14.563
  189    HG3  ARG  26           HG3      ARG  26  32.276  23.436  14.457
  190    HD2  ARG  26           HD2      ARG  26  33.751  22.550  12.792
  191    HD3  ARG  26           HD3      ARG  26  34.729  23.290  14.059
  192    HE   ARG  26           HE       ARG  26  34.638  20.715  14.829
  193   HH11  ARG  26          HH12      ARG  26  35.391  22.232  11.787
  194   HH12  ARG  26          HH11      ARG  26  36.490  20.989  11.290
  195   HH21  ARG  26          HH22      ARG  26  36.083  19.071  14.186
  196   HH22  ARG  26          HH21      ARG  26  36.882  19.191  12.655
  197    H    ASP  27           H        ASP  27  32.129  25.482  14.937
  198    HA   ASP  27           HA       ASP  27  34.487  26.208  13.576
  199    HB2  ASP  27           HB2      ASP  27  32.334  26.287  12.462
  200    HB3  ASP  27           HB3      ASP  27  31.757  27.508  13.594
  201    H    ILE  28           H        ILE  28  32.685  27.730  16.180
  202    HA   ILE  28           HA       ILE  28  33.845  30.258  16.162
  203    HB   ILE  28           HB       ILE  28  32.975  28.659  18.572
  204   HG12  ILE  28          HG12      ILE  28  31.389  30.776  17.131
  205   HG13  ILE  28          HG13      ILE  28  31.305  29.082  16.659
  206   HG21  ILE  28          HG21      ILE  28  33.386  31.627  18.230
  207   HG22  ILE  28          HG22      ILE  28  32.702  30.846  19.655
  208   HG23  ILE  28          HG23      ILE  28  34.378  30.539  19.200
  209   HD11  ILE  28          HD11      ILE  28  30.637  28.562  19.014
  210   HD12  ILE  28          HD12      ILE  28  30.508  30.300  19.285
  211   HD13  ILE  28          HD13      ILE  28  29.474  29.514  18.092
  212    H    GLY  29           H        GLY  29  35.150  27.202  17.162
  213    HA2  GLY  29           HA2      GLY  29  37.367  28.429  18.597
  214    HA3  GLY  29           HA3      GLY  29  37.080  26.707  18.394
  215    H    ILE  30           H        ILE  30  36.682  27.206  15.434
  216    HA   ILE  30           HA       ILE  30  39.518  27.051  14.752
  217    HB   ILE  30           HB       ILE  30  37.181  26.529  12.922
  218   HG12  ILE  30          HG12      ILE  30  38.691  24.558  14.652
  219   HG13  ILE  30          HG13      ILE  30  37.029  25.078  14.907
  220   HG21  ILE  30          HG21      ILE  30  38.742  26.215  11.380
  221   HG22  ILE  30          HG22      ILE  30  39.995  26.612  12.555
  222   HG23  ILE  30          HG23      ILE  30  39.462  24.942  12.365
  223   HD11  ILE  30          HD11      ILE  30  36.527  24.148  12.616
  224   HD12  ILE  30          HD12      ILE  30  38.127  23.407  12.672
  225   HD13  ILE  30          HD13      ILE  30  36.911  22.973  13.873
  226    H    SER  31           H        SER  31  37.074  29.330  14.788
  227    HA   SER  31           HA       SER  31  38.310  30.863  12.597
  228    HB2  SER  31           HB2      SER  31  35.562  30.362  13.266
  229    HB3  SER  31           HB3      SER  31  35.882  32.093  13.377
  230    HG   SER  31           HG       SER  31  36.242  30.379  11.156
  231    H    ASP  32           H        ASP  32  38.385  30.573  15.844
  232    HA   ASP  32           HA       ASP  32  38.032  33.071  16.949
  233    HB2  ASP  32           HB2      ASP  32  39.380  30.640  17.674
  234    HB3  ASP  32           HB3      ASP  32  40.376  32.020  18.130
  235    HA   PRO  33           HA       PRO  33  41.085  35.765  15.319
  236    HB2  PRO  33           HB2      PRO  33  41.692  37.281  17.488
  237    HB3  PRO  33           HB3      PRO  33  40.160  37.419  16.618
  238    HG2  PRO  33           HG2      PRO  33  40.772  35.951  19.154
  239    HG3  PRO  33           HG3      PRO  33  39.371  36.963  18.758
  240    HD2  PRO  33           HD2      PRO  33  39.283  34.258  18.677
  241    HD3  PRO  33           HD3      PRO  33  38.327  35.278  17.582
  242    H    GLN  34           H        GLN  34  41.987  34.500  18.529
  243    HA   GLN  34           HA       GLN  34  44.718  34.915  18.398
  244    HB2  GLN  34           HB2      GLN  34  43.121  32.742  19.744
  245    HB3  GLN  34           HB3      GLN  34  44.860  32.902  19.948
  246    HG2  GLN  34           HG2      GLN  34  43.720  35.441  20.423
  247    HG3  GLN  34           HG3      GLN  34  42.767  34.254  21.312
  248   HE21  GLN  34          HE21      GLN  34  45.077  36.353  21.784
  249   HE22  GLN  34          HE22      GLN  34  46.072  35.530  22.932
  250    H    HIS  35           H        HIS  35  42.770  32.530  16.798
  251    HA   HIS  35           HA       HIS  35  44.595  30.545  16.208
  252    HB2  HIS  35           HB2      HIS  35  42.023  31.088  15.460
  253    HB3  HIS  35           HB3      HIS  35  42.883  31.309  13.939
  254    HD1  HIS  35           HD1      HIS  35  40.927  29.006  14.172
  255    HD2  HIS  35           HD2      HIS  35  44.963  28.669  15.098
  256    HE1  HIS  35           HE1      HIS  35  41.464  26.559  13.957
  257    H    ARG  36           H        ARG  36  44.222  33.716  14.736
  258    HA   ARG  36           HA       ARG  36  45.931  33.299  12.528
  259    HB2  ARG  36           HB2      ARG  36  45.022  35.770  13.990
  260    HB3  ARG  36           HB3      ARG  36  46.133  35.858  12.630
  261    HG2  ARG  36           HG2      ARG  36  44.031  34.247  11.754
  262    HG3  ARG  36           HG3      ARG  36  43.275  35.570  12.644
  263    HD2  ARG  36           HD2      ARG  36  45.176  36.879  11.186
  264    HD3  ARG  36           HD3      ARG  36  44.701  35.586  10.086
  265    HE   ARG  36           HE       ARG  36  43.188  37.891  10.741
  266   HH11  ARG  36          HH12      ARG  36  42.871  34.494  10.046
  267   HH12  ARG  36          HH11      ARG  36  41.259  34.637   9.429
  268   HH21  ARG  36          HH22      ARG  36  41.065  38.092   9.931
  269   HH22  ARG  36          HH21      ARG  36  40.233  36.685   9.363
  270    H    ARG  37           H        ARG  37  46.513  34.415  15.826
  271    HA   ARG  37           HA       ARG  37  49.252  35.078  15.407
  272    HB2  ARG  37           HB2      ARG  37  47.422  34.857  17.726
  273    HB3  ARG  37           HB3      ARG  37  49.137  34.670  18.068
  274    HG2  ARG  37           HG2      ARG  37  49.617  36.837  17.579
  275    HG3  ARG  37           HG3      ARG  37  48.316  36.973  16.394
  276    HD2  ARG  37           HD2      ARG  37  46.729  36.795  18.394
  277    HD3  ARG  37           HD3      ARG  37  48.150  37.112  19.388
  278    HE   ARG  37           HE       ARG  37  47.781  39.030  17.285
  279   HH11  ARG  37          HH12      ARG  37  46.889  38.152  20.534
  280   HH12  ARG  37          HH11      ARG  37  46.483  39.771  20.999
  281   HH21  ARG  37          HH22      ARG  37  47.249  41.165  17.886
  282   HH22  ARG  37          HH21      ARG  37  46.687  41.484  19.492
  283    H    LYS  38           H        LYS  38  47.534  32.172  16.306
  284    HA   LYS  38           HA       LYS  38  49.938  30.750  17.055
  285    HB2  LYS  38           HB2      LYS  38  47.091  29.809  16.669
  286    HB3  LYS  38           HB3      LYS  38  48.404  28.797  17.256
  287    HG2  LYS  38           HG2      LYS  38  48.677  30.323  19.176
  288    HG3  LYS  38           HG3      LYS  38  47.287  31.249  18.602
  289    HD2  LYS  38           HD2      LYS  38  46.402  28.613  18.646
  290    HD3  LYS  38           HD3      LYS  38  47.371  28.779  20.113
  291    HE2  LYS  38           HE2      LYS  38  46.069  30.708  20.787
  292    HE3  LYS  38           HE3      LYS  38  45.149  30.644  19.285
  293    HZ1  LYS  38           HZ1      LYS  38  43.784  29.601  20.818
  294    HZ2  LYS  38           HZ2      LYS  38  45.060  28.793  21.580
  295    HZ3  LYS  38           HZ3      LYS  38  44.539  28.296  20.050
  296    H    LEU  39           H        LEU  39  48.099  31.313  14.202
  297    HA   LEU  39           HA       LEU  39  49.212  29.027  12.793
  298    HB2  LEU  39           HB2      LEU  39  46.849  29.981  12.503
  299    HB3  LEU  39           HB3      LEU  39  47.623  31.256  11.564
  300    HG   LEU  39           HG       LEU  39  48.456  28.673  10.609
  301   HD11  LEU  39          HD11      LEU  39  46.225  28.053  11.607
  302   HD12  LEU  39          HD12      LEU  39  46.407  27.746   9.881
  303   HD13  LEU  39          HD13      LEU  39  45.491  29.147  10.434
  304   HD21  LEU  39          HD21      LEU  39  46.675  30.518   9.096
  305   HD22  LEU  39          HD22      LEU  39  48.104  29.634   8.561
  306   HD23  LEU  39          HD23      LEU  39  48.282  31.079   9.558
  307    H    LEU  40           H        LEU  40  49.868  32.373  13.272
  308    HA   LEU  40           HA       LEU  40  51.397  32.810  10.907
  309    HB2  LEU  40           HB2      LEU  40  50.519  34.326  13.136
  310    HB3  LEU  40           HB3      LEU  40  52.269  34.504  13.022
  311    HG   LEU  40           HG       LEU  40  51.130  36.307  11.855
  312   HD11  LEU  40          HD11      LEU  40  52.310  36.188   9.781
  313   HD12  LEU  40          HD12      LEU  40  52.380  34.428   9.860
  314   HD13  LEU  40          HD13      LEU  40  53.293  35.398  11.015
  315   HD21  LEU  40          HD21      LEU  40  49.345  34.292  11.082
  316   HD22  LEU  40          HD22      LEU  40  50.127  34.838   9.598
  317   HD23  LEU  40          HD23      LEU  40  49.299  35.998  10.638
  318    H    GLN  41           H        GLN  41  52.279  32.141  14.289
  319    HA   GLN  41           HA       GLN  41  55.070  32.030  13.794
  320    HB2  GLN  41           HB2      GLN  41  53.262  31.473  16.052
  321    HB3  GLN  41           HB3      GLN  41  54.752  30.539  16.052
  322    HG2  GLN  41           HG2      GLN  41  55.561  32.310  17.156
  323    HG3  GLN  41           HG3      GLN  41  55.732  32.990  15.539
  324   HE21  GLN  41          HE21      GLN  41  55.412  34.412  18.008
  325   HE22  GLN  41          HE22      GLN  41  53.957  35.333  17.877
  326    H    ALA  42           H        ALA  42  52.493  29.758  13.435
  327    HA   ALA  42           HA       ALA  42  54.248  27.452  13.339
  328    HB1  ALA  42           HB1      ALA  42  52.219  26.838  14.231
  329    HB2  ALA  42           HB2      ALA  42  51.301  27.873  13.136
  330    HB3  ALA  42           HB3      ALA  42  52.008  26.370  12.544
  331    H    ALA  43           H        ALA  43  52.704  29.666  11.134
  332    HA   ALA  43           HA       ALA  43  53.275  28.030   8.808
  333    HB1  ALA  43           HB1      ALA  43  52.166  30.828   9.011
  334    HB2  ALA  43           HB2      ALA  43  52.275  29.868   7.535
  335    HB3  ALA  43           HB3      ALA  43  51.227  29.344   8.852
  336    H    ARG  44           H        ARG  44  54.755  30.576  10.608
  337    HA   ARG  44           HA       ARG  44  56.419  31.622   8.562
  338    HB2  ARG  44           HB2      ARG  44  56.391  31.749  11.550
  339    HB3  ARG  44           HB3      ARG  44  57.829  32.282  10.689
  340    HG2  ARG  44           HG2      ARG  44  55.684  33.493   9.372
  341    HG3  ARG  44           HG3      ARG  44  55.334  33.641  11.095
  342    HD2  ARG  44           HD2      ARG  44  57.621  34.550  11.425
  343    HD3  ARG  44           HD3      ARG  44  57.848  34.511   9.677
  344    HE   ARG  44           HE       ARG  44  55.516  35.956  10.245
  345   HH11  ARG  44          HH12      ARG  44  58.967  36.205  10.633
  346   HH12  ARG  44          HH11      ARG  44  58.979  37.936  10.583
  347   HH21  ARG  44          HH22      ARG  44  55.519  38.236  10.178
  348   HH22  ARG  44          HH21      ARG  44  57.017  39.091  10.325
  349    HN1  NH2  45           HN1      NH2  45  56.725  28.955  10.851
  350    HN2  NH2  45           HN2      NH2  45  58.233  28.348  10.253
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1   7.637   6.798  -6.106
    2    H2   ACE   1           H2       ACE   1   5.949   6.284  -5.868
    3    H3   ACE   1           H3       ACE   1   6.421   7.969  -5.542
    4    H    SER   2           H        SER   2   6.303   4.743  -4.396
    5    HA   SER   2           HA       SER   2   6.590   3.812  -2.340
    6    HB2  SER   2           HB2      SER   2   8.721   3.902  -1.603
    7    HB3  SER   2           HB3      SER   2   9.007   4.967  -2.979
    8    HG   SER   2           HG       SER   2   9.603   5.700  -0.736
    9    H    LYS   3           H        LYS   3   6.642   4.347   0.083
   10    HA   LYS   3           HA       LYS   3   5.084   6.803   0.561
   11    HB2  LYS   3           HB2      LYS   3   4.402   4.054   1.059
   12    HB3  LYS   3           HB3      LYS   3   4.476   4.928   2.583
   13    HG2  LYS   3           HG2      LYS   3   3.060   6.408   0.526
   14    HG3  LYS   3           HG3      LYS   3   2.335   4.833   0.856
   15    HD2  LYS   3           HD2      LYS   3   1.660   5.438   2.920
   16    HD3  LYS   3           HD3      LYS   3   3.130   6.360   3.240
   17    HE2  LYS   3           HE2      LYS   3   1.039   7.352   1.330
   18    HE3  LYS   3           HE3      LYS   3   0.908   7.638   3.065
   19    HZ1  LYS   3           HZ1      LYS   3   2.519   9.170   3.012
   20    HZ2  LYS   3           HZ2      LYS   3   2.205   9.245   1.352
   21    HZ3  LYS   3           HZ3      LYS   3   3.481   8.296   1.929
   22    H    LEU   4           H        LEU   4   8.017   5.666   0.972
   23    HA   LEU   4           HA       LEU   4   8.302   6.388   3.798
   24    HB2  LEU   4           HB2      LEU   4  10.008   4.903   1.843
   25    HB3  LEU   4           HB3      LEU   4  10.734   5.621   3.280
   26    HG   LEU   4           HG       LEU   4  10.283   3.271   3.645
   27   HD11  LEU   4          HD11      LEU   4   8.172   4.678   5.223
   28   HD12  LEU   4          HD12      LEU   4   9.869   5.113   5.425
   29   HD13  LEU   4          HD13      LEU   4   9.338   3.461   5.742
   30   HD21  LEU   4          HD21      LEU   4   7.354   3.851   3.279
   31   HD22  LEU   4          HD22      LEU   4   8.144   2.286   3.477
   32   HD23  LEU   4          HD23      LEU   4   8.369   3.206   1.988
   33    H    LEU   5           H        LEU   5   7.818   8.313   1.586
   34    HA   LEU   5           HA       LEU   5  10.334   9.808   1.544
   35    HB2  LEU   5           HB2      LEU   5   8.408   9.372  -0.376
   36    HB3  LEU   5           HB3      LEU   5   8.055  11.007   0.180
   37    HG   LEU   5           HG       LEU   5  10.877  10.689  -0.325
   38   HD11  LEU   5          HD11      LEU   5  10.281   8.997  -1.915
   39   HD12  LEU   5          HD12      LEU   5  10.680  10.474  -2.791
   40   HD13  LEU   5          HD13      LEU   5   8.994  10.005  -2.576
   41   HD21  LEU   5          HD21      LEU   5   8.869  12.392  -1.780
   42   HD22  LEU   5          HD22      LEU   5  10.589  12.699  -1.535
   43   HD23  LEU   5          HD23      LEU   5   9.474  12.786  -0.170
   44    H    LEU   6           H        LEU   6   8.584   9.531   3.929
   45    HA   LEU   6           HA       LEU   6   8.454  12.366   4.572
   46    HB2  LEU   6           HB2      LEU   6   6.122  10.626   4.240
   47    HB3  LEU   6           HB3      LEU   6   6.161  11.494   5.773
   48    HG   LEU   6           HG       LEU   6   6.693  13.188   3.447
   49   HD11  LEU   6          HD11      LEU   6   4.971  11.391   2.700
   50   HD12  LEU   6          HD12      LEU   6   4.649  13.095   2.385
   51   HD13  LEU   6          HD13      LEU   6   3.861  12.285   3.739
   52   HD21  LEU   6          HD21      LEU   6   6.350  14.225   5.536
   53   HD22  LEU   6          HD22      LEU   6   4.906  13.266   5.864
   54   HD23  LEU   6          HD23      LEU   6   4.874  14.511   4.615
   55    H    ASN   7           H        ASN   7   7.658   9.134   5.855
   56    HA   ASN   7           HA       ASN   7   8.276   9.808   8.540
   57    HB2  ASN   7           HB2      ASN   7   7.148   7.610   7.190
   58    HB3  ASN   7           HB3      ASN   7   8.565   6.984   8.027
   59   HD21  ASN   7          HD21      ASN   7   5.405   7.248   8.337
   60   HD22  ASN   7          HD22      ASN   7   5.250   7.437  10.047
   61    H    GLY   8           H        GLY   8  10.161   8.682   5.844
   62    HA2  GLY   8           HA2      GLY   8  12.442   8.026   7.546
   63    HA3  GLY   8           HA3      GLY   8  12.344   7.802   5.805
   64    H    PHE   9           H        PHE   9  11.311  10.607   5.519
   65    HA   PHE   9           HA       PHE   9  13.909  11.855   5.301
   66    HB2  PHE   9           HB2      PHE   9  11.737  11.975   3.721
   67    HB3  PHE   9           HB3      PHE   9  11.448  13.406   4.706
   68    HD1  PHE   9           HD2      PHE   9  14.418  11.830   3.076
   69    HD2  PHE   9           HD1      PHE   9  12.111  15.351   3.709
   70    HE1  PHE   9           HE2      PHE   9  15.986  13.106   1.673
   71    HE2  PHE   9           HE1      PHE   9  13.675  16.632   2.306
   72    HZ   PHE   9           HZ       PHE   9  15.616  15.510   1.287
   73    H    ASP  10           H        ASP  10  11.150  12.000   7.392
   74    HA   ASP  10           HA       ASP  10  11.355  14.516   8.508
   75    HB2  ASP  10           HB2      ASP  10   9.627  12.701   8.990
   76    HB3  ASP  10           HB3      ASP  10  10.789  12.043  10.139
   77    H    ASP  11           H        ASP  11  13.058  11.556   9.498
   78    HA   ASP  11           HA       ASP  11  14.504  12.681  11.618
   79    HB2  ASP  11           HB2      ASP  11  14.406  10.179  10.245
   80    HB3  ASP  11           HB3      ASP  11  16.094  10.662  10.394
   81    H    VAL  12           H        VAL  12  14.965  12.840   8.188
   82    HA   VAL  12           HA       VAL  12  17.710  13.716   8.342
   83    HB   VAL  12           HB       VAL  12  15.809  13.810   5.996
   84   HG11  VAL  12          HG11      VAL  12  18.095  13.729   4.776
   85   HG12  VAL  12          HG12      VAL  12  17.523  15.264   5.433
   86   HG13  VAL  12          HG13      VAL  12  18.739  14.328   6.304
   87   HG21  VAL  12          HG21      VAL  12  16.996  11.763   5.260
   88   HG22  VAL  12          HG22      VAL  12  17.823  11.720   6.817
   89   HG23  VAL  12          HG23      VAL  12  16.071  11.532   6.744
   90    H    HIS  13           H        HIS  13  14.551  15.202   7.751
   91    HA   HIS  13           HA       HIS  13  15.376  17.781   7.130
   92    HB2  HIS  13           HB2      HIS  13  12.924  16.480   7.814
   93    HB3  HIS  13           HB3      HIS  13  13.032  17.982   8.727
   94    HD1  HIS  13           HD1      HIS  13  12.018  19.881   7.534
   95    HD2  HIS  13           HD2      HIS  13  13.604  17.088   4.898
   96    HE1  HIS  13           HE1      HIS  13  11.522  20.769   5.234
   97    H    PHE  14           H        PHE  14  15.354  16.120  10.169
   98    HA   PHE  14           HA       PHE  14  15.682  18.547  11.722
   99    HB2  PHE  14           HB2      PHE  14  14.427  16.498  12.537
  100    HB3  PHE  14           HB3      PHE  14  15.991  15.703  12.687
  101    HD1  PHE  14           HD1      PHE  14  14.017  18.609  13.865
  102    HD2  PHE  14           HD2      PHE  14  17.318  16.019  14.583
  103    HE1  PHE  14           HE1      PHE  14  14.289  19.582  16.108
  104    HE2  PHE  14           HE2      PHE  14  17.594  16.987  16.828
  105    HZ   PHE  14           HZ       PHE  14  16.078  18.771  17.594
  106    H    LEU  15           H        LEU  15  17.641  15.998  10.370
  107    HA   LEU  15           HA       LEU  15  19.972  16.256  11.852
  108    HB2  LEU  15           HB2      LEU  15  19.177  15.082   9.365
  109    HB3  LEU  15           HB3      LEU  15  20.740  15.872   9.167
  110    HG   LEU  15           HG       LEU  15  20.116  13.790  11.260
  111   HD11  LEU  15          HD11      LEU  15  20.687  13.518   8.470
  112   HD12  LEU  15          HD12      LEU  15  20.389  12.267   9.675
  113   HD13  LEU  15          HD13      LEU  15  22.026  12.870   9.417
  114   HD21  LEU  15          HD21      LEU  15  22.024  15.652  11.428
  115   HD22  LEU  15          HD22      LEU  15  22.875  14.471  10.432
  116   HD23  LEU  15          HD23      LEU  15  22.244  14.002  12.012
  117    H    GLY  16           H        GLY  16  18.768  18.214   9.182
  118    HA2  GLY  16           HA2      GLY  16  21.017  19.683   8.535
  119    HA3  GLY  16           HA3      GLY  16  19.377  20.310   8.467
  120    H    SER  17           H        SER  17  18.491  20.849  10.766
  121    HA   SER  17           HA       SER  17  19.861  23.039  11.739
  122    HB2  SER  17           HB2      SER  17  17.540  21.475  12.550
  123    HB3  SER  17           HB3      SER  17  18.404  22.145  13.933
  124    HG   SER  17           HG       SER  17  17.990  24.148  13.249
  125    H    ASN  18           H        ASN  18  20.203  19.674  12.583
  126    HA   ASN  18           HA       ASN  18  21.673  20.071  14.988
  127    HB2  ASN  18           HB2      ASN  18  20.584  17.881  13.615
  128    HB3  ASN  18           HB3      ASN  18  22.319  17.585  13.655
  129   HD21  ASN  18          HD21      ASN  18  19.597  16.889  15.201
  130   HD22  ASN  18          HD22      ASN  18  20.177  16.716  16.819
  131    H    VAL  19           H        VAL  19  22.662  19.191  11.680
  132    HA   VAL  19           HA       VAL  19  25.411  19.110  12.106
  133    HB   VAL  19           HB       VAL  19  24.071  20.058   9.572
  134   HG11  VAL  19          HG11      VAL  19  26.764  18.868  10.183
  135   HG12  VAL  19          HG12      VAL  19  26.085  18.905   8.555
  136   HG13  VAL  19          HG13      VAL  19  26.400  20.413   9.415
  137   HG21  VAL  19          HG21      VAL  19  23.916  17.515  10.907
  138   HG22  VAL  19          HG22      VAL  19  23.110  18.057   9.435
  139   HG23  VAL  19          HG23      VAL  19  24.721  17.346   9.348
  140    H    MET  20           H        MET  20  23.267  21.820  11.824
  141    HA   MET  20           HA       MET  20  25.394  23.727  11.356
  142    HB2  MET  20           HB2      MET  20  23.189  24.113  10.370
  143    HB3  MET  20           HB3      MET  20  22.463  24.140  11.972
  144    HG2  MET  20           HG2      MET  20  24.052  26.090  12.447
  145    HG3  MET  20           HG3      MET  20  24.276  26.153  10.701
  146    HE1  MET  20           HE1      MET  20  21.913  28.550  12.972
  147    HE2  MET  20           HE2      MET  20  20.986  27.120  13.426
  148    HE3  MET  20           HE3      MET  20  22.741  27.126  13.603
  149    H    GLU  21           H        GLU  21  23.348  22.671  14.027
  150    HA   GLU  21           HA       GLU  21  24.237  24.649  15.868
  151    HB2  GLU  21           HB2      GLU  21  22.143  23.585  16.295
  152    HB3  GLU  21           HB3      GLU  21  22.870  21.985  16.235
  153    HG2  GLU  21           HG2      GLU  21  23.473  22.054  18.378
  154    HG3  GLU  21           HG3      GLU  21  24.057  23.712  18.257
  155    H    GLU  22           H        GLU  22  25.461  21.568  14.838
  156    HA   GLU  22           HA       GLU  22  27.261  21.265  17.072
  157    HB2  GLU  22           HB2      GLU  22  28.033  19.280  15.976
  158    HB3  GLU  22           HB3      GLU  22  26.282  19.331  15.823
  159    HG2  GLU  22           HG2      GLU  22  26.467  20.102  13.542
  160    HG3  GLU  22           HG3      GLU  22  28.223  20.174  13.683
  161    H    GLN  23           H        GLN  23  27.392  22.487  13.791
  162    HA   GLN  23           HA       GLN  23  30.271  22.807  13.860
  163    HB2  GLN  23           HB2      GLN  23  28.372  22.563  11.830
  164    HB3  GLN  23           HB3      GLN  23  28.925  24.228  11.719
  165    HG2  GLN  23           HG2      GLN  23  31.286  23.262  11.777
  166    HG3  GLN  23           HG3      GLN  23  30.521  21.707  11.457
  167   HE21  GLN  23          HE21      GLN  23  28.884  21.829   9.593
  168   HE22  GLN  23          HE22      GLN  23  29.429  22.655   8.177
  169    H    ASP  24           H        ASP  24  27.442  24.667  14.539
  170    HA   ASP  24           HA       ASP  24  28.697  27.238  14.328
  171    HB2  ASP  24           HB2      ASP  24  26.248  26.903  14.060
  172    HB3  ASP  24           HB3      ASP  24  26.147  26.478  15.767
  173    H    LEU  25           H        LEU  25  28.242  24.854  16.835
  174    HA   LEU  25           HA       LEU  25  28.965  26.595  18.997
  175    HB2  LEU  25           HB2      LEU  25  28.106  23.850  18.655
  176    HB3  LEU  25           HB3      LEU  25  29.412  23.984  19.831
  177    HG   LEU  25           HG       LEU  25  27.298  24.044  20.975
  178   HD11  LEU  25          HD11      LEU  25  28.212  26.896  20.957
  179   HD12  LEU  25          HD12      LEU  25  29.238  25.613  21.598
  180   HD13  LEU  25          HD13      LEU  25  27.653  25.913  22.310
  181   HD21  LEU  25          HD21      LEU  25  25.644  24.729  19.559
  182   HD22  LEU  25          HD22      LEU  25  26.621  26.019  18.859
  183   HD23  LEU  25          HD23      LEU  25  25.900  26.226  20.456
  184    H    ARG  26           H        ARG  26  30.665  24.690  16.688
  185    HA   ARG  26           HA       ARG  26  33.137  24.779  18.251
  186    HB2  ARG  26           HB2      ARG  26  34.025  23.184  16.760
  187    HB3  ARG  26           HB3      ARG  26  32.357  22.689  17.016
  188    HG2  ARG  26           HG2      ARG  26  31.722  23.702  14.891
  189    HG3  ARG  26           HG3      ARG  26  33.390  24.217  14.636
  190    HD2  ARG  26           HD2      ARG  26  32.291  21.419  14.712
  191    HD3  ARG  26           HD3      ARG  26  33.110  22.234  13.380
  192    HE   ARG  26           HE       ARG  26  34.985  22.211  15.325
  193   HH11  ARG  26          HH12      ARG  26  32.977  19.739  13.919
  194   HH12  ARG  26          HH11      ARG  26  34.131  18.472  14.174
  195   HH21  ARG  26          HH22      ARG  26  36.513  20.552  15.666
  196   HH22  ARG  26          HH21      ARG  26  36.142  18.936  15.169
  197    H    ASP  27           H        ASP  27  31.639  26.113  15.387
  198    HA   ASP  27           HA       ASP  27  33.813  27.181  14.057
  199    HB2  ASP  27           HB2      ASP  27  31.523  27.249  13.174
  200    HB3  ASP  27           HB3      ASP  27  31.078  28.428  14.405
  201    H    ILE  28           H        ILE  28  32.121  28.409  16.891
  202    HA   ILE  28           HA       ILE  28  33.201  30.960  17.043
  203    HB   ILE  28           HB       ILE  28  32.600  29.134  19.373
  204   HG12  ILE  28          HG12      ILE  28  30.816  31.087  17.903
  205   HG13  ILE  28          HG13      ILE  28  30.690  29.333  17.841
  206   HG21  ILE  28          HG21      ILE  28  32.732  32.142  19.205
  207   HG22  ILE  28          HG22      ILE  28  32.259  31.207  20.624
  208   HG23  ILE  28          HG23      ILE  28  33.905  31.094  20.002
  209   HD11  ILE  28          HD11      ILE  28  29.036  29.968  19.337
  210   HD12  ILE  28          HD12      ILE  28  30.369  29.470  20.379
  211   HD13  ILE  28          HD13      ILE  28  30.059  31.184  20.101
  212    H    GLY  29           H        GLY  29  34.681  27.883  17.656
  213    HA2  GLY  29           HA2      GLY  29  37.007  29.166  18.907
  214    HA3  GLY  29           HA3      GLY  29  36.682  27.440  18.870
  215    H    ILE  30           H        ILE  30  35.961  27.960  15.891
  216    HA   ILE  30           HA       ILE  30  38.677  27.474  14.939
  217    HB   ILE  30           HB       ILE  30  36.078  27.253  13.418
  218   HG12  ILE  30          HG12      ILE  30  37.718  25.037  14.661
  219   HG13  ILE  30          HG13      ILE  30  36.268  25.715  15.395
  220   HG21  ILE  30          HG21      ILE  30  37.872  27.511  11.891
  221   HG22  ILE  30          HG22      ILE  30  38.896  26.402  12.801
  222   HG23  ILE  30          HG23      ILE  30  37.490  25.790  11.931
  223   HD11  ILE  30          HD11      ILE  30  35.144  25.088  13.152
  224   HD12  ILE  30          HD12      ILE  30  36.538  24.027  12.952
  225   HD13  ILE  30          HD13      ILE  30  35.472  23.830  14.343
  226    H    SER  31           H        SER  31  36.388  29.983  15.066
  227    HA   SER  31           HA       SER  31  37.706  31.420  12.862
  228    HB2  SER  31           HB2      SER  31  34.957  31.192  13.664
  229    HB3  SER  31           HB3      SER  31  35.455  32.881  13.765
  230    HG   SER  31           HG       SER  31  34.771  32.505  11.685
  231    H    ASP  32           H        ASP  32  37.927  31.092  16.093
  232    HA   ASP  32           HA       ASP  32  37.872  33.597  17.236
  233    HB2  ASP  32           HB2      ASP  32  39.021  31.042  17.865
  234    HB3  ASP  32           HB3      ASP  32  40.175  32.312  18.264
  235    HA   PRO  33           HA       PRO  33  41.060  36.018  15.441
  236    HB2  PRO  33           HB2      PRO  33  41.910  37.462  17.577
  237    HB3  PRO  33           HB3      PRO  33  40.353  37.740  16.788
  238    HG2  PRO  33           HG2      PRO  33  40.964  36.210  19.288
  239    HG3  PRO  33           HG3      PRO  33  39.640  37.344  18.966
  240    HD2  PRO  33           HD2      PRO  33  39.308  34.658  18.887
  241    HD3  PRO  33           HD3      PRO  33  38.390  35.764  17.845
  242    H    GLN  34           H        GLN  34  42.013  34.665  18.601
  243    HA   GLN  34           HA       GLN  34  44.758  34.837  18.334
  244    HB2  GLN  34           HB2      GLN  34  43.040  32.804  19.747
  245    HB3  GLN  34           HB3      GLN  34  44.795  32.794  19.857
  246    HG2  GLN  34           HG2      GLN  34  44.479  35.281  20.572
  247    HG3  GLN  34           HG3      GLN  34  42.839  34.757  20.949
  248   HE21  GLN  34          HE21      GLN  34  43.754  35.513  23.100
  249   HE22  GLN  34          HE22      GLN  34  44.482  34.297  24.089
  250    H    HIS  35           H        HIS  35  42.533  32.644  16.819
  251    HA   HIS  35           HA       HIS  35  44.144  30.516  16.127
  252    HB2  HIS  35           HB2      HIS  35  41.598  31.292  15.507
  253    HB3  HIS  35           HB3      HIS  35  42.402  31.454  13.948
  254    HD1  HIS  35           HD1      HIS  35  40.264  29.330  14.252
  255    HD2  HIS  35           HD2      HIS  35  44.292  28.628  14.988
  256    HE1  HIS  35           HE1      HIS  35  40.572  26.848  13.993
  257    H    ARG  36           H        ARG  36  43.900  33.687  14.593
  258    HA   ARG  36           HA       ARG  36  45.524  33.125  12.359
  259    HB2  ARG  36           HB2      ARG  36  44.298  35.458  13.576
  260    HB3  ARG  36           HB3      ARG  36  45.895  35.827  12.939
  261    HG2  ARG  36           HG2      ARG  36  43.911  34.350  11.264
  262    HG3  ARG  36           HG3      ARG  36  43.824  36.105  11.422
  263    HD2  ARG  36           HD2      ARG  36  46.479  34.957  10.809
  264    HD3  ARG  36           HD3      ARG  36  45.266  34.866   9.532
  265    HE   ARG  36           HE       ARG  36  46.611  37.217  10.477
  266   HH11  ARG  36          HH12      ARG  36  43.734  36.003   8.940
  267   HH12  ARG  36          HH11      ARG  36  43.370  37.498   8.144
  268   HH21  ARG  36          HH22      ARG  36  46.143  39.192   9.435
  269   HH22  ARG  36          HH21      ARG  36  44.742  39.311   8.426
  270    H    ARG  37           H        ARG  37  46.263  34.210  15.624
  271    HA   ARG  37           HA       ARG  37  49.019  34.749  15.108
  272    HB2  ARG  37           HB2      ARG  37  47.770  34.143  17.788
  273    HB3  ARG  37           HB3      ARG  37  49.236  35.062  17.469
  274    HG2  ARG  37           HG2      ARG  37  47.182  36.344  16.048
  275    HG3  ARG  37           HG3      ARG  37  46.531  35.970  17.646
  276    HD2  ARG  37           HD2      ARG  37  48.074  37.285  18.731
  277    HD3  ARG  37           HD3      ARG  37  49.262  37.144  17.436
  278    HE   ARG  37           HE       ARG  37  46.931  38.578  16.619
  279   HH11  ARG  37          HH12      ARG  37  49.951  38.855  18.329
  280   HH12  ARG  37          HH11      ARG  37  50.107  40.556  18.042
  281   HH21  ARG  37          HH22      ARG  37  47.125  40.818  16.235
  282   HH22  ARG  37          HH21      ARG  37  48.499  41.672  16.852
  283    H    LYS  38           H        LYS  38  47.181  31.954  16.127
  284    HA   LYS  38           HA       LYS  38  49.529  30.419  16.821
  285    HB2  LYS  38           HB2      LYS  38  46.765  30.234  17.345
  286    HB3  LYS  38           HB3      LYS  38  47.181  28.802  16.412
  287    HG2  LYS  38           HG2      LYS  38  47.572  28.034  18.519
  288    HG3  LYS  38           HG3      LYS  38  49.172  28.669  18.126
  289    HD2  LYS  38           HD2      LYS  38  48.997  29.823  20.036
  290    HD3  LYS  38           HD3      LYS  38  47.883  30.868  19.150
  291    HE2  LYS  38           HE2      LYS  38  46.717  30.295  21.094
  292    HE3  LYS  38           HE3      LYS  38  46.063  29.218  19.861
  293    HZ1  LYS  38           HZ1      LYS  38  48.265  27.960  21.035
  294    HZ2  LYS  38           HZ2      LYS  38  46.638  27.505  21.114
  295    HZ3  LYS  38           HZ3      LYS  38  47.285  28.538  22.287
  296    H    LEU  39           H        LEU  39  47.632  31.028  14.013
  297    HA   LEU  39           HA       LEU  39  48.591  28.668  12.612
  298    HB2  LEU  39           HB2      LEU  39  46.266  29.794  12.395
  299    HB3  LEU  39           HB3      LEU  39  47.101  30.929  11.336
  300    HG   LEU  39           HG       LEU  39  47.830  28.858  10.010
  301   HD11  LEU  39          HD11      LEU  39  46.181  27.654  12.071
  302   HD12  LEU  39          HD12      LEU  39  47.297  26.903  10.932
  303   HD13  LEU  39          HD13      LEU  39  45.636  27.241  10.446
  304   HD21  LEU  39          HD21      LEU  39  45.728  28.842   8.753
  305   HD22  LEU  39          HD22      LEU  39  46.210  30.481   9.194
  306   HD23  LEU  39          HD23      LEU  39  44.925  29.668  10.089
  307    H    LEU  40           H        LEU  40  49.420  31.985  13.014
  308    HA   LEU  40           HA       LEU  40  50.896  32.301  10.593
  309    HB2  LEU  40           HB2      LEU  40  50.003  34.199  11.860
  310    HB3  LEU  40           HB3      LEU  40  51.087  33.813  13.195
  311    HG   LEU  40           HG       LEU  40  52.786  34.118  11.029
  312   HD11  LEU  40          HD11      LEU  40  52.201  36.117   9.911
  313   HD12  LEU  40          HD12      LEU  40  50.822  36.395  10.975
  314   HD13  LEU  40          HD13      LEU  40  50.789  35.065   9.817
  315   HD21  LEU  40          HD21      LEU  40  52.042  36.289  12.974
  316   HD22  LEU  40          HD22      LEU  40  53.606  35.996  12.214
  317   HD23  LEU  40          HD23      LEU  40  52.991  34.873  13.428
  318    H    GLN  41           H        GLN  41  51.821  31.638  13.961
  319    HA   GLN  41           HA       GLN  41  54.597  31.414  13.411
  320    HB2  GLN  41           HB2      GLN  41  52.954  31.412  15.696
  321    HB3  GLN  41           HB3      GLN  41  53.810  29.875  15.716
  322    HG2  GLN  41           HG2      GLN  41  55.931  30.990  15.632
  323    HG3  GLN  41           HG3      GLN  41  55.145  32.554  15.420
  324   HE21  GLN  41          HE21      GLN  41  55.503  29.851  17.653
  325   HE22  GLN  41          HE22      GLN  41  55.265  30.773  19.094
  326    H    ALA  42           H        ALA  42  51.922  29.243  13.145
  327    HA   ALA  42           HA       ALA  42  53.584  26.869  13.040
  328    HB1  ALA  42           HB1      ALA  42  50.627  27.308  12.684
  329    HB2  ALA  42           HB2      ALA  42  51.405  25.736  12.499
  330    HB3  ALA  42           HB3      ALA  42  51.458  26.569  14.053
  331    H    ALA  43           H        ALA  43  52.063  29.108  10.845
  332    HA   ALA  43           HA       ALA  43  52.493  27.419   8.529
  333    HB1  ALA  43           HB1      ALA  43  51.491  29.210   7.255
  334    HB2  ALA  43           HB2      ALA  43  50.514  28.885   8.687
  335    HB3  ALA  43           HB3      ALA  43  51.579  30.290   8.648
  336    H    ARG  44           H        ARG  44  54.147  29.912  10.248
  337    HA   ARG  44           HA       ARG  44  55.797  30.851   8.140
  338    HB2  ARG  44           HB2      ARG  44  55.866  31.016  11.124
  339    HB3  ARG  44           HB3      ARG  44  57.301  31.468  10.214
  340    HG2  ARG  44           HG2      ARG  44  55.154  32.757   8.956
  341    HG3  ARG  44           HG3      ARG  44  54.908  32.963  10.691
  342    HD2  ARG  44           HD2      ARG  44  56.235  34.785  10.108
  343    HD3  ARG  44           HD3      ARG  44  57.390  33.622  10.756
  344    HE   ARG  44           HE       ARG  44  58.390  33.573   8.710
  345   HH11  ARG  44          HH12      ARG  44  55.128  34.724   8.319
  346   HH12  ARG  44          HH11      ARG  44  55.311  35.061   6.629
  347   HH21  ARG  44          HH22      ARG  44  58.644  34.013   6.487
  348   HH22  ARG  44          HH21      ARG  44  57.311  34.656   5.588
  349    HN1  NH2  45           HN1      NH2  45  56.044  28.202  10.456
  350    HN2  NH2  45           HN2      NH2  45  57.501  27.514   9.822
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1   8.284   9.021  -4.858
    2    H2   ACE   1           H2       ACE   1   8.921   9.675  -3.330
    3    H3   ACE   1           H3       ACE   1   8.895   7.916  -3.604
    4    H    SER   2           H        SER   2   7.604   7.251  -2.044
    5    HA   SER   2           HA       SER   2   4.807   8.131  -2.167
    6    HB2  SER   2           HB2      SER   2   5.727   5.700  -0.665
    7    HB3  SER   2           HB3      SER   2   4.168   6.012  -1.426
    8    HG   SER   2           HG       SER   2   6.625   5.548  -2.773
    9    H    LYS   3           H        LYS   3   3.722   7.616   0.137
   10    HA   LYS   3           HA       LYS   3   4.522   9.671   1.846
   11    HB2  LYS   3           HB2      LYS   3   3.019   8.502   3.530
   12    HB3  LYS   3           HB3      LYS   3   2.278   8.940   1.997
   13    HG2  LYS   3           HG2      LYS   3   3.403   6.279   1.908
   14    HG3  LYS   3           HG3      LYS   3   2.234   6.455   3.218
   15    HD2  LYS   3           HD2      LYS   3   0.488   6.771   1.798
   16    HD3  LYS   3           HD3      LYS   3   1.478   7.596   0.592
   17    HE2  LYS   3           HE2      LYS   3   1.837   5.706  -0.541
   18    HE3  LYS   3           HE3      LYS   3   2.232   4.811   0.925
   19    HZ1  LYS   3           HZ1      LYS   3  -0.577   5.459   0.487
   20    HZ2  LYS   3           HZ2      LYS   3   0.122   4.070   1.152
   21    HZ3  LYS   3           HZ3      LYS   3   0.099   4.285  -0.526
   22    H    LEU   4           H        LEU   4   5.449   6.306   1.729
   23    HA   LEU   4           HA       LEU   4   6.536   6.004   4.282
   24    HB2  LEU   4           HB2      LEU   4   6.624   4.614   1.755
   25    HB3  LEU   4           HB3      LEU   4   8.193   4.565   2.556
   26    HG   LEU   4           HG       LEU   4   6.224   3.917   4.490
   27   HD11  LEU   4          HD11      LEU   4   4.873   2.327   3.587
   28   HD12  LEU   4          HD12      LEU   4   6.010   1.928   2.300
   29   HD13  LEU   4          HD13      LEU   4   5.027   3.387   2.186
   30   HD21  LEU   4          HD21      LEU   4   7.553   2.042   4.828
   31   HD22  LEU   4          HD22      LEU   4   8.685   3.214   4.151
   32   HD23  LEU   4          HD23      LEU   4   8.016   1.940   3.129
   33    H    LEU   5           H        LEU   5   7.809   7.555   1.418
   34    HA   LEU   5           HA       LEU   5  10.494   7.775   2.350
   35    HB2  LEU   5           HB2      LEU   5   9.096   8.316  -0.021
   36    HB3  LEU   5           HB3      LEU   5   9.774   9.856   0.503
   37    HG   LEU   5           HG       LEU   5  11.789   7.833   0.679
   38   HD11  LEU   5          HD11      LEU   5  10.191   6.841  -1.095
   39   HD12  LEU   5          HD12      LEU   5  11.913   6.945  -1.455
   40   HD13  LEU   5          HD13      LEU   5  10.799   8.135  -2.128
   41   HD21  LEU   5          HD21      LEU   5  11.595  10.090  -1.298
   42   HD22  LEU   5          HD22      LEU   5  13.043   9.369  -0.598
   43   HD23  LEU   5          HD23      LEU   5  11.972  10.347   0.405
   44    H    LEU   6           H        LEU   6   7.604   9.718   2.660
   45    HA   LEU   6           HA       LEU   6   8.769  12.130   3.490
   46    HB2  LEU   6           HB2      LEU   6   6.232  11.252   3.035
   47    HB3  LEU   6           HB3      LEU   6   6.239  11.407   4.791
   48    HG   LEU   6           HG       LEU   6   7.074  13.785   4.418
   49   HD11  LEU   6          HD11      LEU   6   7.670  14.246   2.317
   50   HD12  LEU   6          HD12      LEU   6   5.942  14.385   1.996
   51   HD13  LEU   6          HD13      LEU   6   6.780  12.869   1.666
   52   HD21  LEU   6          HD21      LEU   6   4.578  12.748   4.696
   53   HD22  LEU   6          HD22      LEU   6   4.399  13.692   3.217
   54   HD23  LEU   6          HD23      LEU   6   4.955  14.471   4.699
   55    H    ASN   7           H        ASN   7   7.749   9.281   5.330
   56    HA   ASN   7           HA       ASN   7   8.261  10.338   7.892
   57    HB2  ASN   7           HB2      ASN   7   7.445   7.828   6.773
   58    HB3  ASN   7           HB3      ASN   7   8.721   7.540   7.953
   59   HD21  ASN   7          HD21      ASN   7   7.713   6.823   9.699
   60   HD22  ASN   7          HD22      ASN   7   6.389   7.605  10.487
   61    H    GLY   8           H        GLY   8  10.331   9.003   5.449
   62    HA2  GLY   8           HA2      GLY   8  12.547   8.534   7.246
   63    HA3  GLY   8           HA3      GLY   8  12.572   8.391   5.495
   64    H    PHE   9           H        PHE   9  11.650  10.980   4.852
   65    HA   PHE   9           HA       PHE   9  14.063  12.413   4.881
   66    HB2  PHE   9           HB2      PHE   9  11.852  12.594   3.392
   67    HB3  PHE   9           HB3      PHE   9  11.512  13.903   4.520
   68    HD1  PHE   9           HD1      PHE   9  14.553  12.684   2.728
   69    HD2  PHE   9           HD2      PHE   9  11.998  15.960   3.651
   70    HE1  PHE   9           HE1      PHE   9  16.005  14.181   1.422
   71    HE2  PHE   9           HE2      PHE   9  13.445  17.462   2.346
   72    HZ   PHE   9           HZ       PHE   9  15.452  16.572   1.228
   73    H    ASP  10           H        ASP  10  11.393  12.332   7.093
   74    HA   ASP  10           HA       ASP  10  11.603  14.757   8.395
   75    HB2  ASP  10           HB2      ASP  10   9.974  12.774   8.785
   76    HB3  ASP  10           HB3      ASP  10  11.182  12.213   9.938
   77    H    ASP  11           H        ASP  11  13.382  11.758   9.103
   78    HA   ASP  11           HA       ASP  11  14.903  12.749  11.234
   79    HB2  ASP  11           HB2      ASP  11  14.718  10.355  10.716
   80    HB3  ASP  11           HB3      ASP  11  15.639  10.601   9.234
   81    H    VAL  12           H        VAL  12  15.219  13.171   7.810
   82    HA   VAL  12           HA       VAL  12  17.955  14.081   7.916
   83    HB   VAL  12           HB       VAL  12  15.956  14.337   5.666
   84   HG11  VAL  12          HG11      VAL  12  18.960  14.595   5.718
   85   HG12  VAL  12          HG12      VAL  12  17.971  14.572   4.257
   86   HG13  VAL  12          HG13      VAL  12  17.795  15.885   5.421
   87   HG21  VAL  12          HG21      VAL  12  17.437  12.062   6.689
   88   HG22  VAL  12          HG22      VAL  12  16.134  12.119   5.502
   89   HG23  VAL  12          HG23      VAL  12  17.802  12.389   4.995
   90    H    HIS  13           H        HIS  13  14.754  15.558   7.578
   91    HA   HIS  13           HA       HIS  13  15.519  18.190   7.128
   92    HB2  HIS  13           HB2      HIS  13  13.115  16.801   7.804
   93    HB3  HIS  13           HB3      HIS  13  13.242  18.224   8.832
   94    HD1  HIS  13           HD1      HIS  13  12.160  20.201   7.842
   95    HD2  HIS  13           HD2      HIS  13  13.658  17.653   4.923
   96    HE1  HIS  13           HE1      HIS  13  11.555  21.266   5.646
   97    H    PHE  14           H        PHE  14  15.649  16.296  10.024
   98    HA   PHE  14           HA       PHE  14  16.035  18.611  11.736
   99    HB2  PHE  14           HB2      PHE  14  14.768  16.636  12.543
  100    HB3  PHE  14           HB3      PHE  14  16.231  15.667  12.404
  101    HD1  PHE  14           HD1      PHE  14  15.273  18.953  13.899
  102    HD2  PHE  14           HD2      PHE  14  17.290  15.236  14.382
  103    HE1  PHE  14           HE1      PHE  14  15.914  19.601  16.185
  104    HE2  PHE  14           HE2      PHE  14  17.933  15.878  16.668
  105    HZ   PHE  14           HZ       PHE  14  17.244  18.063  17.573
  106    H    LEU  15           H        LEU  15  17.918  16.158  10.130
  107    HA   LEU  15           HA       LEU  15  20.302  16.300  11.553
  108    HB2  LEU  15           HB2      LEU  15  19.475  15.473   8.864
  109    HB3  LEU  15           HB3      LEU  15  21.162  15.965   8.990
  110    HG   LEU  15           HG       LEU  15  19.857  13.815  10.658
  111   HD11  LEU  15          HD11      LEU  15  20.032  13.222   8.270
  112   HD12  LEU  15          HD12      LEU  15  21.071  12.236   9.298
  113   HD13  LEU  15          HD13      LEU  15  21.764  13.544   8.339
  114   HD21  LEU  15          HD21      LEU  15  22.641  14.921  10.496
  115   HD22  LEU  15          HD22      LEU  15  22.333  13.278  11.058
  116   HD23  LEU  15          HD23      LEU  15  21.635  14.651  11.919
  117    H    GLY  16           H        GLY  16  19.074  18.371   8.967
  118    HA2  GLY  16           HA2      GLY  16  21.326  19.870   8.395
  119    HA3  GLY  16           HA3      GLY  16  19.684  20.492   8.329
  120    H    SER  17           H        SER  17  18.766  20.965  10.622
  121    HA   SER  17           HA       SER  17  20.124  23.117  11.689
  122    HB2  SER  17           HB2      SER  17  18.041  21.312  12.923
  123    HB3  SER  17           HB3      SER  17  18.633  22.768  13.721
  124    HG   SER  17           HG       SER  17  16.881  22.504  11.640
  125    H    ASN  18           H        ASN  18  20.419  19.723  12.454
  126    HA   ASN  18           HA       ASN  18  21.845  20.032  14.890
  127    HB2  ASN  18           HB2      ASN  18  20.821  17.889  13.368
  128    HB3  ASN  18           HB3      ASN  18  22.551  17.597  13.524
  129   HD21  ASN  18          HD21      ASN  18  19.802  16.715  14.814
  130   HD22  ASN  18          HD22      ASN  18  20.237  16.546  16.477
  131    H    VAL  19           H        VAL  19  22.919  19.264  11.581
  132    HA   VAL  19           HA       VAL  19  25.651  19.160  12.052
  133    HB   VAL  19           HB       VAL  19  24.363  20.256   9.551
  134   HG11  VAL  19          HG11      VAL  19  26.448  18.986   8.608
  135   HG12  VAL  19          HG12      VAL  19  26.617  20.617   9.260
  136   HG13  VAL  19          HG13      VAL  19  27.076  19.223  10.238
  137   HG21  VAL  19          HG21      VAL  19  25.028  17.562   9.186
  138   HG22  VAL  19          HG22      VAL  19  24.188  17.640  10.735
  139   HG23  VAL  19          HG23      VAL  19  23.413  18.264   9.279
  140    H    MET  20           H        MET  20  23.533  21.904  11.846
  141    HA   MET  20           HA       MET  20  25.674  23.819  11.530
  142    HB2  MET  20           HB2      MET  20  23.476  24.276  10.558
  143    HB3  MET  20           HB3      MET  20  22.742  24.213  12.154
  144    HG2  MET  20           HG2      MET  20  24.340  26.121  12.753
  145    HG3  MET  20           HG3      MET  20  24.573  26.287  11.014
  146    HE1  MET  20           HE1      MET  20  21.826  28.757  13.108
  147    HE2  MET  20           HE2      MET  20  23.178  27.817  13.739
  148    HE3  MET  20           HE3      MET  20  23.434  28.944  12.406
  149    H    GLU  21           H        GLU  21  23.620  22.606  14.125
  150    HA   GLU  21           HA       GLU  21  24.470  24.471  16.088
  151    HB2  GLU  21           HB2      GLU  21  22.408  23.322  16.447
  152    HB3  GLU  21           HB3      GLU  21  23.181  21.752  16.284
  153    HG2  GLU  21           HG2      GLU  21  23.713  21.685  18.436
  154    HG3  GLU  21           HG3      GLU  21  24.371  23.319  18.404
  155    H    GLU  22           H        GLU  22  25.716  21.417  14.943
  156    HA   GLU  22           HA       GLU  22  27.549  21.059  17.126
  157    HB2  GLU  22           HB2      GLU  22  28.455  19.215  15.779
  158    HB3  GLU  22           HB3      GLU  22  26.704  19.124  15.908
  159    HG2  GLU  22           HG2      GLU  22  26.458  20.025  13.678
  160    HG3  GLU  22           HG3      GLU  22  28.204  20.228  13.544
  161    H    GLN  23           H        GLN  23  27.665  22.434  13.899
  162    HA   GLN  23           HA       GLN  23  30.528  22.809  13.970
  163    HB2  GLN  23           HB2      GLN  23  28.566  22.748  11.964
  164    HB3  GLN  23           HB3      GLN  23  29.182  24.395  11.967
  165    HG2  GLN  23           HG2      GLN  23  31.504  23.333  11.913
  166    HG3  GLN  23           HG3      GLN  23  30.669  21.842  11.482
  167   HE21  GLN  23          HE21      GLN  23  29.084  22.102   9.636
  168   HE22  GLN  23          HE22      GLN  23  29.617  23.048   8.292
  169    H    ASP  24           H        ASP  24  27.683  24.609  14.786
  170    HA   ASP  24           HA       ASP  24  28.969  27.179  14.809
  171    HB2  ASP  24           HB2      ASP  24  26.505  26.831  14.447
  172    HB3  ASP  24           HB3      ASP  24  26.376  26.390  16.147
  173    H    LEU  25           H        LEU  25  28.447  24.592  17.077
  174    HA   LEU  25           HA       LEU  25  29.132  26.164  19.393
  175    HB2  LEU  25           HB2      LEU  25  28.688  23.228  18.932
  176    HB3  LEU  25           HB3      LEU  25  29.219  23.867  20.486
  177    HG   LEU  25           HG       LEU  25  26.698  24.848  19.188
  178   HD11  LEU  25          HD11      LEU  25  26.751  22.595  21.166
  179   HD12  LEU  25          HD12      LEU  25  26.781  22.300  19.428
  180   HD13  LEU  25          HD13      LEU  25  25.419  23.153  20.153
  181   HD21  LEU  25          HD21      LEU  25  27.806  24.789  21.985
  182   HD22  LEU  25          HD22      LEU  25  26.118  25.158  21.630
  183   HD23  LEU  25          HD23      LEU  25  27.399  26.194  21.000
  184    H    ARG  26           H        ARG  26  30.820  24.391  16.989
  185    HA   ARG  26           HA       ARG  26  33.238  24.226  18.633
  186    HB2  ARG  26           HB2      ARG  26  34.107  22.714  17.034
  187    HB3  ARG  26           HB3      ARG  26  32.421  22.262  17.246
  188    HG2  ARG  26           HG2      ARG  26  31.894  23.592  15.195
  189    HG3  ARG  26           HG3      ARG  26  33.632  23.786  14.955
  190    HD2  ARG  26           HD2      ARG  26  32.015  21.251  14.918
  191    HD3  ARG  26           HD3      ARG  26  32.978  21.950  13.616
  192    HE   ARG  26           HE       ARG  26  34.750  21.459  15.657
  193   HH11  ARG  26          HH12      ARG  26  32.528  19.577  13.750
  194   HH12  ARG  26          HH11      ARG  26  33.470  18.126  13.846
  195   HH21  ARG  26          HH22      ARG  26  35.999  19.555  15.792
  196   HH22  ARG  26          HH21      ARG  26  35.444  18.114  15.009
  197    H    ASP  27           H        ASP  27  31.901  25.826  15.825
  198    HA   ASP  27           HA       ASP  27  34.224  26.899  14.716
  199    HB2  ASP  27           HB2      ASP  27  31.338  27.569  14.651
  200    HB3  ASP  27           HB3      ASP  27  32.446  28.859  14.193
  201    H    ILE  28           H        ILE  28  32.404  27.839  17.535
  202    HA   ILE  28           HA       ILE  28  33.262  30.449  17.905
  203    HB   ILE  28           HB       ILE  28  32.785  28.361  20.035
  204   HG12  ILE  28          HG12      ILE  28  30.847  30.493  19.185
  205   HG13  ILE  28          HG13      ILE  28  30.941  28.972  18.303
  206   HG21  ILE  28          HG21      ILE  28  32.239  30.415  21.421
  207   HG22  ILE  28          HG22      ILE  28  33.943  30.130  21.071
  208   HG23  ILE  28          HG23      ILE  28  33.050  31.351  20.165
  209   HD11  ILE  28          HD11      ILE  28  29.572  28.076  19.783
  210   HD12  ILE  28          HD12      ILE  28  30.790  28.320  21.034
  211   HD13  ILE  28          HD13      ILE  28  29.577  29.563  20.730
  212    H    GLY  29           H        GLY  29  35.005  27.470  18.270
  213    HA2  GLY  29           HA2      GLY  29  37.284  28.961  19.415
  214    HA3  GLY  29           HA3      GLY  29  37.010  27.241  19.651
  215    H    ILE  30           H        ILE  30  36.247  28.110  16.510
  216    HA   ILE  30           HA       ILE  30  38.915  27.275  15.572
  217    HB   ILE  30           HB       ILE  30  36.258  26.770  14.227
  218   HG12  ILE  30          HG12      ILE  30  38.115  24.734  15.458
  219   HG13  ILE  30          HG13      ILE  30  36.777  25.454  16.347
  220   HG21  ILE  30          HG21      ILE  30  38.098  25.102  13.082
  221   HG22  ILE  30          HG22      ILE  30  37.539  26.628  12.399
  222   HG23  ILE  30          HG23      ILE  30  39.032  26.576  13.336
  223   HD11  ILE  30          HD11      ILE  30  35.535  24.615  14.082
  224   HD12  ILE  30          HD12      ILE  30  36.774  23.377  14.296
  225   HD13  ILE  30          HD13      ILE  30  35.621  23.705  15.590
  226    H    SER  31           H        SER  31  36.482  29.667  15.456
  227    HA   SER  31           HA       SER  31  37.708  30.911  13.088
  228    HB2  SER  31           HB2      SER  31  34.981  30.630  13.947
  229    HB3  SER  31           HB3      SER  31  35.386  32.343  13.847
  230    HG   SER  31           HG       SER  31  35.091  32.083  11.787
  231    H    ASP  32           H        ASP  32  37.977  30.970  16.329
  232    HA   ASP  32           HA       ASP  32  37.790  33.583  17.180
  233    HB2  ASP  32           HB2      ASP  32  39.083  31.185  18.081
  234    HB3  ASP  32           HB3      ASP  32  40.170  32.552  18.313
  235    HA   PRO  33           HA       PRO  33  40.821  35.952  15.072
  236    HB2  PRO  33           HB2      PRO  33  41.605  37.679  17.015
  237    HB3  PRO  33           HB3      PRO  33  40.029  37.777  16.221
  238    HG2  PRO  33           HG2      PRO  33  40.744  36.583  18.872
  239    HG3  PRO  33           HG3      PRO  33  39.355  37.597  18.440
  240    HD2  PRO  33           HD2      PRO  33  39.175  34.906  18.676
  241    HD3  PRO  33           HD3      PRO  33  38.188  35.832  17.527
  242    H    GLN  34           H        GLN  34  41.874  35.032  18.354
  243    HA   GLN  34           HA       GLN  34  44.602  35.323  18.029
  244    HB2  GLN  34           HB2      GLN  34  43.023  33.361  19.688
  245    HB3  GLN  34           HB3      GLN  34  44.775  33.490  19.783
  246    HG2  GLN  34           HG2      GLN  34  44.185  36.047  20.156
  247    HG3  GLN  34           HG3      GLN  34  42.676  35.347  20.739
  248   HE21  GLN  34          HE21      GLN  34  42.659  34.189  22.628
  249   HE22  GLN  34          HE22      GLN  34  44.006  34.122  23.707
  250    H    HIS  35           H        HIS  35  42.494  32.848  16.811
  251    HA   HIS  35           HA       HIS  35  44.217  30.746  16.346
  252    HB2  HIS  35           HB2      HIS  35  41.627  31.302  15.676
  253    HB3  HIS  35           HB3      HIS  35  42.407  31.329  14.098
  254    HD1  HIS  35           HD1      HIS  35  40.396  29.138  14.675
  255    HD2  HIS  35           HD2      HIS  35  44.464  28.750  15.428
  256    HE1  HIS  35           HE1      HIS  35  40.843  26.663  14.697
  257    H    ARG  36           H        ARG  36  43.675  33.615  14.329
  258    HA   ARG  36           HA       ARG  36  45.376  32.893  12.218
  259    HB2  ARG  36           HB2      ARG  36  44.006  35.310  13.131
  260    HB3  ARG  36           HB3      ARG  36  45.530  35.647  12.321
  261    HG2  ARG  36           HG2      ARG  36  44.816  34.573  10.334
  262    HG3  ARG  36           HG3      ARG  36  43.401  33.889  11.137
  263    HD2  ARG  36           HD2      ARG  36  43.410  36.739  11.441
  264    HD3  ARG  36           HD3      ARG  36  43.592  36.322   9.738
  265    HE   ARG  36           HE       ARG  36  41.263  35.934  11.382
  266   HH11  ARG  36          HH12      ARG  36  42.964  34.914   8.521
  267   HH12  ARG  36          HH11      ARG  36  41.545  34.302   7.738
  268   HH21  ARG  36          HH22      ARG  36  39.387  35.132  10.361
  269   HH22  ARG  36          HH21      ARG  36  39.511  34.427   8.785
  270    H    ARG  37           H        ARG  37  46.019  34.286  15.351
  271    HA   ARG  37           HA       ARG  37  48.715  35.068  14.731
  272    HB2  ARG  37           HB2      ARG  37  47.553  34.672  17.485
  273    HB3  ARG  37           HB3      ARG  37  48.892  35.711  17.015
  274    HG2  ARG  37           HG2      ARG  37  46.028  36.111  16.176
  275    HG3  ARG  37           HG3      ARG  37  46.824  36.953  17.507
  276    HD2  ARG  37           HD2      ARG  37  48.467  37.181  15.199
  277    HD3  ARG  37           HD3      ARG  37  46.818  37.606  14.743
  278    HE   ARG  37           HE       ARG  37  47.228  38.981  17.050
  279   HH11  ARG  37          HH12      ARG  37  48.928  38.756  14.020
  280   HH12  ARG  37          HH11      ARG  37  49.543  40.374  14.096
  281   HH21  ARG  37          HH22      ARG  37  48.032  41.113  17.161
  282   HH22  ARG  37          HH21      ARG  37  49.033  41.713  15.883
  283    H    LYS  38           H        LYS  38  47.126  32.274  16.120
  284    HA   LYS  38           HA       LYS  38  49.597  31.040  16.960
  285    HB2  LYS  38           HB2      LYS  38  46.743  30.525  17.267
  286    HB3  LYS  38           HB3      LYS  38  47.658  29.059  16.941
  287    HG2  LYS  38           HG2      LYS  38  47.883  29.053  19.179
  288    HG3  LYS  38           HG3      LYS  38  49.223  30.146  18.824
  289    HD2  LYS  38           HD2      LYS  38  48.207  31.866  19.827
  290    HD3  LYS  38           HD3      LYS  38  46.677  31.536  19.012
  291    HE2  LYS  38           HE2      LYS  38  46.318  31.317  21.363
  292    HE3  LYS  38           HE3      LYS  38  46.285  29.701  20.660
  293    HZ1  LYS  38           HZ1      LYS  38  48.782  29.714  21.295
  294    HZ2  LYS  38           HZ2      LYS  38  47.620  29.403  22.484
  295    HZ3  LYS  38           HZ3      LYS  38  48.329  30.935  22.375
  296    H    LEU  39           H        LEU  39  47.652  31.136  14.121
  297    HA   LEU  39           HA       LEU  39  48.819  28.716  13.007
  298    HB2  LEU  39           HB2      LEU  39  46.397  29.872  12.680
  299    HB3  LEU  39           HB3      LEU  39  47.250  30.507  11.274
  300    HG   LEU  39           HG       LEU  39  45.995  28.520  10.685
  301   HD11  LEU  39          HD11      LEU  39  47.663  27.423   9.487
  302   HD12  LEU  39          HD12      LEU  39  48.869  27.676  10.747
  303   HD13  LEU  39          HD13      LEU  39  48.333  29.032   9.757
  304   HD21  LEU  39          HD21      LEU  39  47.144  27.526  13.171
  305   HD22  LEU  39          HD22      LEU  39  47.294  26.386  11.833
  306   HD23  LEU  39          HD23      LEU  39  45.706  27.000  12.296
  307    H    LEU  40           H        LEU  40  49.339  32.116  12.994
  308    HA   LEU  40           HA       LEU  40  50.767  32.267  10.526
  309    HB2  LEU  40           HB2      LEU  40  49.761  34.248  11.419
  310    HB3  LEU  40           HB3      LEU  40  50.663  34.084  12.924
  311    HG   LEU  40           HG       LEU  40  52.611  34.259  10.935
  312   HD11  LEU  40          HD11      LEU  40  50.840  35.017   9.389
  313   HD12  LEU  40          HD12      LEU  40  52.063  36.250   9.694
  314   HD13  LEU  40          HD13      LEU  40  50.491  36.354  10.486
  315   HD21  LEU  40          HD21      LEU  40  52.532  36.752  11.976
  316   HD22  LEU  40          HD22      LEU  40  53.236  35.359  12.797
  317   HD23  LEU  40          HD23      LEU  40  51.590  35.868  13.177
  318    H    GLN  41           H        GLN  41  51.755  32.109  13.937
  319    HA   GLN  41           HA       GLN  41  54.540  32.086  13.378
  320    HB2  GLN  41           HB2      GLN  41  52.935  32.265  15.661
  321    HB3  GLN  41           HB3      GLN  41  53.856  30.782  15.871
  322    HG2  GLN  41           HG2      GLN  41  55.216  33.324  15.083
  323    HG3  GLN  41           HG3      GLN  41  54.816  32.995  16.768
  324   HE21  GLN  41          HE21      GLN  41  57.001  32.457  14.245
  325   HE22  GLN  41          HE22      GLN  41  58.011  31.301  15.037
  326    H    ALA  42           H        ALA  42  52.083  29.659  13.420
  327    HA   ALA  42           HA       ALA  42  53.965  27.457  13.588
  328    HB1  ALA  42           HB1      ALA  42  52.057  26.767  14.609
  329    HB2  ALA  42           HB2      ALA  42  51.014  27.731  13.563
  330    HB3  ALA  42           HB3      ALA  42  51.696  26.216  12.973
  331    H    ALA  43           H        ALA  43  52.234  29.255  11.160
  332    HA   ALA  43           HA       ALA  43  52.800  27.332   9.065
  333    HB1  ALA  43           HB1      ALA  43  51.719  29.007   7.587
  334    HB2  ALA  43           HB2      ALA  43  50.706  28.504   8.940
  335    HB3  ALA  43           HB3      ALA  43  51.527  30.064   8.986
  336    H    ARG  44           H        ARG  44  54.231  30.159  10.431
  337    HA   ARG  44           HA       ARG  44  55.773  30.972   8.194
  338    HB2  ARG  44           HB2      ARG  44  55.847  31.513  11.133
  339    HB3  ARG  44           HB3      ARG  44  57.229  31.975  10.148
  340    HG2  ARG  44           HG2      ARG  44  54.958  32.898   8.784
  341    HG3  ARG  44           HG3      ARG  44  54.718  33.302  10.485
  342    HD2  ARG  44           HD2      ARG  44  55.893  35.139   9.784
  343    HD3  ARG  44           HD3      ARG  44  57.214  34.099  10.315
  344    HE   ARG  44           HE       ARG  44  56.657  33.671   7.574
  345   HH11  ARG  44          HH12      ARG  44  58.120  35.962   9.750
  346   HH12  ARG  44          HH11      ARG  44  59.216  36.587   8.562
  347   HH21  ARG  44          HH22      ARG  44  58.094  34.486   6.002
  348   HH22  ARG  44          HH21      ARG  44  59.199  35.748   6.430
  349    HN1  NH2  45           HN1      NH2  45  56.278  28.666  10.814
  350    HN2  NH2  45           HN2      NH2  45  57.788  28.038  10.242
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1   7.257   8.889  -4.335
    2    H2   ACE   1           H2       ACE   1   6.558   9.381  -2.774
    3    H3   ACE   1           H3       ACE   1   8.308   9.546  -3.057
    4    H    SER   2           H        SER   2   6.818   8.114  -0.993
    5    HA   SER   2           HA       SER   2   7.136   5.308  -1.537
    6    HB2  SER   2           HB2      SER   2   9.358   6.807  -0.467
    7    HB3  SER   2           HB3      SER   2   8.805   5.615   0.710
    8    HG   SER   2           HG       SER   2   9.052   4.776  -1.933
    9    H    LYS   3           H        LYS   3   6.869   4.029   0.581
   10    HA   LYS   3           HA       LYS   3   4.426   4.640   1.730
   11    HB2  LYS   3           HB2      LYS   3   5.162   3.009   3.555
   12    HB3  LYS   3           HB3      LYS   3   5.151   2.408   1.902
   13    HG2  LYS   3           HG2      LYS   3   7.475   2.426   1.750
   14    HG3  LYS   3           HG3      LYS   3   7.649   3.513   3.130
   15    HD2  LYS   3           HD2      LYS   3   8.226   1.513   4.096
   16    HD3  LYS   3           HD3      LYS   3   6.491   1.536   4.420
   17    HE2  LYS   3           HE2      LYS   3   6.704  -0.573   3.566
   18    HE3  LYS   3           HE3      LYS   3   6.390   0.323   2.081
   19    HZ1  LYS   3           HZ1      LYS   3   8.219  -1.056   1.636
   20    HZ2  LYS   3           HZ2      LYS   3   8.989  -0.670   3.091
   21    HZ3  LYS   3           HZ3      LYS   3   8.880   0.485   1.860
   22    H    LEU   4           H        LEU   4   7.668   5.502   2.781
   23    HA   LEU   4           HA       LEU   4   6.505   7.006   5.028
   24    HB2  LEU   4           HB2      LEU   4   9.200   5.773   4.591
   25    HB3  LEU   4           HB3      LEU   4   8.980   7.070   5.763
   26    HG   LEU   4           HG       LEU   4   7.107   5.492   6.699
   27   HD11  LEU   4          HD11      LEU   4   7.908   3.098   6.475
   28   HD12  LEU   4          HD12      LEU   4   8.838   3.646   5.081
   29   HD13  LEU   4          HD13      LEU   4   7.081   3.787   5.078
   30   HD21  LEU   4          HD21      LEU   4  10.055   4.988   7.093
   31   HD22  LEU   4          HD22      LEU   4   8.772   4.467   8.186
   32   HD23  LEU   4          HD23      LEU   4   9.075   6.187   7.938
   33    H    LEU   5           H        LEU   5   6.251   8.130   2.535
   34    HA   LEU   5           HA       LEU   5   8.310   9.782   1.656
   35    HB2  LEU   5           HB2      LEU   5   6.704  10.940   0.413
   36    HB3  LEU   5           HB3      LEU   5   6.074   9.300   0.556
   37    HG   LEU   5           HG       LEU   5   5.172  11.594   2.290
   38   HD11  LEU   5          HD11      LEU   5   3.222  10.684   0.391
   39   HD12  LEU   5          HD12      LEU   5   4.673  11.243  -0.441
   40   HD13  LEU   5          HD13      LEU   5   3.831  12.314   0.679
   41   HD21  LEU   5          HD21      LEU   5   4.536   9.727   3.442
   42   HD22  LEU   5          HD22      LEU   5   4.431   8.729   1.991
   43   HD23  LEU   5          HD23      LEU   5   3.157   9.894   2.355
   44    H    LEU   6           H        LEU   6   6.200  10.084   4.392
   45    HA   LEU   6           HA       LEU   6   7.305  12.758   4.947
   46    HB2  LEU   6           HB2      LEU   6   4.726  12.233   4.726
   47    HB3  LEU   6           HB3      LEU   6   4.927  11.712   6.397
   48    HG   LEU   6           HG       LEU   6   5.830  14.436   5.537
   49   HD11  LEU   6          HD11      LEU   6   3.414  13.957   4.851
   50   HD12  LEU   6          HD12      LEU   6   3.715  15.374   5.856
   51   HD13  LEU   6          HD13      LEU   6   3.069  13.901   6.580
   52   HD21  LEU   6          HD21      LEU   6   5.191  14.902   7.926
   53   HD22  LEU   6          HD22      LEU   6   6.554  13.805   7.705
   54   HD23  LEU   6          HD23      LEU   6   4.964  13.165   8.124
   55    H    ASN   7           H        ASN   7   6.226   9.777   6.576
   56    HA   ASN   7           HA       ASN   7   7.297  10.280   9.084
   57    HB2  ASN   7           HB2      ASN   7   5.785   8.353   8.350
   58    HB3  ASN   7           HB3      ASN   7   7.256   7.538   7.828
   59   HD21  ASN   7          HD21      ASN   7   5.406   8.664  10.535
   60   HD22  ASN   7          HD22      ASN   7   6.289   7.815  11.753
   61    H    GLY   8           H        GLY   8   8.876   9.333   6.137
   62    HA2  GLY   8           HA2      GLY   8  11.347   8.615   7.499
   63    HA3  GLY   8           HA3      GLY   8  11.058   8.567   5.766
   64    H    PHE   9           H        PHE   9  10.331  11.061   5.114
   65    HA   PHE   9           HA       PHE   9  12.727  12.460   4.975
   66    HB2  PHE   9           HB2      PHE   9  10.327  12.713   3.761
   67    HB3  PHE   9           HB3      PHE   9  10.251  14.081   4.866
   68    HD1  PHE   9           HD1      PHE   9  12.142  15.769   4.807
   69    HD2  PHE   9           HD2      PHE   9  11.542  12.841   1.777
   70    HE1  PHE   9           HE1      PHE   9  13.513  17.099   3.256
   71    HE2  PHE   9           HE2      PHE   9  12.912  14.166   0.221
   72    HZ   PHE   9           HZ       PHE   9  13.901  16.297   0.960
   73    H    ASP  10           H        ASP  10  10.304  12.429   7.449
   74    HA   ASP  10           HA       ASP  10  10.692  14.847   8.724
   75    HB2  ASP  10           HB2      ASP  10   9.068  12.915   9.285
   76    HB3  ASP  10           HB3      ASP  10  10.380  12.292  10.281
   77    H    ASP  11           H        ASP  11  12.436  11.801   9.338
   78    HA   ASP  11           HA       ASP  11  14.201  12.769  11.263
   79    HB2  ASP  11           HB2      ASP  11  14.042  10.411  10.942
   80    HB3  ASP  11           HB3      ASP  11  14.485  10.545   9.242
   81    H    VAL  12           H        VAL  12  14.216  13.115   7.803
   82    HA   VAL  12           HA       VAL  12  16.955  13.981   7.634
   83    HB   VAL  12           HB       VAL  12  14.741  14.290   5.601
   84   HG11  VAL  12          HG11      VAL  12  16.387  15.739   4.883
   85   HG12  VAL  12          HG12      VAL  12  17.693  14.750   5.538
   86   HG13  VAL  12          HG13      VAL  12  16.850  14.242   4.074
   87   HG21  VAL  12          HG21      VAL  12  16.392  12.299   4.704
   88   HG22  VAL  12          HG22      VAL  12  16.335  11.987   6.439
   89   HG23  VAL  12          HG23      VAL  12  14.840  12.053   5.505
   90    H    HIS  13           H        HIS  13  13.777  15.541   7.641
   91    HA   HIS  13           HA       HIS  13  14.568  18.154   7.105
   92    HB2  HIS  13           HB2      HIS  13  12.204  16.830   8.025
   93    HB3  HIS  13           HB3      HIS  13  12.470  18.262   9.015
   94    HD1  HIS  13           HD1      HIS  13  11.234  20.189   8.115
   95    HD2  HIS  13           HD2      HIS  13  12.600  17.698   5.084
   96    HE1  HIS  13           HE1      HIS  13  10.474  21.261   5.971
   97    H    PHE  14           H        PHE  14  14.938  16.248   9.968
   98    HA   PHE  14           HA       PHE  14  15.514  18.531  11.660
   99    HB2  PHE  14           HB2      PHE  14  14.362  16.433  12.478
  100    HB3  PHE  14           HB3      PHE  14  15.909  15.609  12.313
  101    HD1  PHE  14           HD2      PHE  14  14.703  18.834  13.763
  102    HD2  PHE  14           HD1      PHE  14  17.030  15.308  14.280
  103    HE1  PHE  14           HE2      PHE  14  15.341  19.589  16.016
  104    HE2  PHE  14           HE1      PHE  14  17.671  16.057  16.534
  105    HZ   PHE  14           HZ       PHE  14  16.827  18.201  17.405
  106    H    LEU  15           H        LEU  15  17.250  15.983   9.974
  107    HA   LEU  15           HA       LEU  15  19.763  16.209  11.098
  108    HB2  LEU  15           HB2      LEU  15  18.630  15.183   8.647
  109    HB3  LEU  15           HB3      LEU  15  20.224  15.882   8.368
  110    HG   LEU  15           HG       LEU  15  19.587  13.700  10.354
  111   HD11  LEU  15          HD11      LEU  15  20.098  12.173   8.801
  112   HD12  LEU  15          HD12      LEU  15  21.404  13.149   8.130
  113   HD13  LEU  15          HD13      LEU  15  19.736  13.452   7.642
  114   HD21  LEU  15          HD21      LEU  15  22.019  13.522  10.578
  115   HD22  LEU  15          HD22      LEU  15  21.434  15.106  11.087
  116   HD23  LEU  15          HD23      LEU  15  22.218  14.917   9.517
  117    H    GLY  16           H        GLY  16  18.245  18.222   8.626
  118    HA2  GLY  16           HA2      GLY  16  20.407  19.714   7.767
  119    HA3  GLY  16           HA3      GLY  16  18.767  20.333   7.885
  120    H    SER  17           H        SER  17  18.124  20.854  10.257
  121    HA   SER  17           HA       SER  17  19.598  23.022  11.120
  122    HB2  SER  17           HB2      SER  17  17.226  22.429  11.770
  123    HB3  SER  17           HB3      SER  17  17.907  21.302  12.944
  124    HG   SER  17           HG       SER  17  17.387  23.511  13.694
  125    H    ASN  18           H        ASN  18  19.971  19.641  11.918
  126    HA   ASN  18           HA       ASN  18  21.669  19.988  14.165
  127    HB2  ASN  18           HB2      ASN  18  20.452  17.831  12.866
  128    HB3  ASN  18           HB3      ASN  18  22.181  17.535  12.704
  129   HD21  ASN  18          HD21      ASN  18  19.776  16.559  14.438
  130   HD22  ASN  18          HD22      ASN  18  20.481  16.436  16.010
  131    H    VAL  19           H        VAL  19  22.364  19.164  10.768
  132    HA   VAL  19           HA       VAL  19  25.129  19.065  10.923
  133    HB   VAL  19           HB       VAL  19  23.563  20.141   8.576
  134   HG11  VAL  19          HG11      VAL  19  26.357  19.317   9.011
  135   HG12  VAL  19          HG12      VAL  19  25.602  18.714   7.534
  136   HG13  VAL  19          HG13      VAL  19  25.674  20.449   7.844
  137   HG21  VAL  19          HG21      VAL  19  22.598  18.147   8.415
  138   HG22  VAL  19          HG22      VAL  19  24.194  17.436   8.174
  139   HG23  VAL  19          HG23      VAL  19  23.512  17.543   9.797
  140    H    MET  20           H        MET  20  23.006  21.815  10.924
  141    HA   MET  20           HA       MET  20  25.100  23.719  10.352
  142    HB2  MET  20           HB2      MET  20  22.804  24.171   9.634
  143    HB3  MET  20           HB3      MET  20  22.261  24.130  11.306
  144    HG2  MET  20           HG2      MET  20  23.934  26.038  11.683
  145    HG3  MET  20           HG3      MET  20  23.941  26.185   9.927
  146    HE1  MET  20           HE1      MET  20  21.937  26.382   8.527
  147    HE2  MET  20           HE2      MET  20  20.549  27.388   8.944
  148    HE3  MET  20           HE3      MET  20  22.160  28.100   8.858
  149    H    GLU  21           H        GLU  21  23.363  22.526  13.175
  150    HA   GLU  21           HA       GLU  21  24.427  24.410  15.012
  151    HB2  GLU  21           HB2      GLU  21  22.423  23.257  15.612
  152    HB3  GLU  21           HB3      GLU  21  23.182  21.688  15.381
  153    HG2  GLU  21           HG2      GLU  21  23.956  21.650  17.458
  154    HG3  GLU  21           HG3      GLU  21  24.593  23.289  17.334
  155    H    GLU  22           H        GLU  22  25.550  21.360  13.743
  156    HA   GLU  22           HA       GLU  22  27.624  21.027  15.708
  157    HB2  GLU  22           HB2      GLU  22  28.374  19.171  14.274
  158    HB3  GLU  22           HB3      GLU  22  26.657  19.071  14.634
  159    HG2  GLU  22           HG2      GLU  22  26.112  19.941  12.444
  160    HG3  GLU  22           HG3      GLU  22  27.824  20.149  12.078
  161    H    GLN  23           H        GLN  23  27.356  22.351  12.467
  162    HA   GLN  23           HA       GLN  23  30.207  22.740  12.205
  163    HB2  GLN  23           HB2      GLN  23  28.037  22.615  10.432
  164    HB3  GLN  23           HB3      GLN  23  28.626  24.269  10.331
  165    HG2  GLN  23           HG2      GLN  23  30.944  23.228  10.045
  166    HG3  GLN  23           HG3      GLN  23  30.082  21.723   9.732
  167   HE21  GLN  23          HE21      GLN  23  28.285  21.959   8.074
  168   HE22  GLN  23          HE22      GLN  23  28.666  22.878   6.662
  169    H    ASP  24           H        ASP  24  27.491  24.502  13.385
  170    HA   ASP  24           HA       ASP  24  28.710  27.101  13.164
  171    HB2  ASP  24           HB2      ASP  24  26.244  26.769  13.135
  172    HB3  ASP  24           HB3      ASP  24  26.323  26.249  14.816
  173    H    LEU  25           H        LEU  25  28.647  24.527  15.482
  174    HA   LEU  25           HA       LEU  25  29.611  26.176  17.657
  175    HB2  LEU  25           HB2      LEU  25  28.573  23.485  17.326
  176    HB3  LEU  25           HB3      LEU  25  29.990  23.529  18.374
  177    HG   LEU  25           HG       LEU  25  27.898  23.647  19.642
  178   HD11  LEU  25          HD11      LEU  25  28.548  25.365  21.103
  179   HD12  LEU  25          HD12      LEU  25  29.264  26.317  19.803
  180   HD13  LEU  25          HD13      LEU  25  30.041  24.826  20.335
  181   HD21  LEU  25          HD21      LEU  25  26.229  25.118  19.254
  182   HD22  LEU  25          HD22      LEU  25  26.904  25.116  17.625
  183   HD23  LEU  25          HD23      LEU  25  27.328  26.403  18.754
  184    H    ARG  26           H        ARG  26  30.905  24.083  15.200
  185    HA   ARG  26           HA       ARG  26  33.527  23.969  16.443
  186    HB2  ARG  26           HB2      ARG  26  34.155  22.536  14.622
  187    HB3  ARG  26           HB3      ARG  26  32.569  22.031  15.190
  188    HG2  ARG  26           HG2      ARG  26  32.004  22.057  13.033
  189    HG3  ARG  26           HG3      ARG  26  31.919  23.809  13.229
  190    HD2  ARG  26           HD2      ARG  26  33.406  23.886  11.559
  191    HD3  ARG  26           HD3      ARG  26  34.586  23.403  12.777
  192    HE   ARG  26           HE       ARG  26  33.637  21.037  11.922
  193   HH11  ARG  26          HH12      ARG  26  34.835  23.836  10.234
  194   HH12  ARG  26          HH11      ARG  26  35.447  22.926   8.892
  195   HH21  ARG  26          HH22      ARG  26  34.437  19.829  10.161
  196   HH22  ARG  26          HH21      ARG  26  35.219  20.647   8.851
  197    H    ASP  27           H        ASP  27  31.857  25.727  13.941
  198    HA   ASP  27           HA       ASP  27  34.026  26.752  12.513
  199    HB2  ASP  27           HB2      ASP  27  31.916  27.110  11.550
  200    HB3  ASP  27           HB3      ASP  27  31.249  27.775  13.039
  201    H    ILE  28           H        ILE  28  32.403  27.997  15.409
  202    HA   ILE  28           HA       ILE  28  33.775  30.402  15.669
  203    HB   ILE  28           HB       ILE  28  32.839  28.630  17.927
  204   HG12  ILE  28          HG12      ILE  28  31.040  29.055  16.317
  205   HG13  ILE  28          HG13      ILE  28  30.751  29.923  17.821
  206   HG21  ILE  28          HG21      ILE  28  32.588  30.829  19.106
  207   HG22  ILE  28          HG22      ILE  28  34.251  30.344  18.779
  208   HG23  ILE  28          HG23      ILE  28  33.476  31.568  17.773
  209   HD11  ILE  28          HD11      ILE  28  30.215  31.276  15.866
  210   HD12  ILE  28          HD12      ILE  28  31.536  31.980  16.799
  211   HD13  ILE  28          HD13      ILE  28  31.877  31.117  15.300
  212    H    GLY  29           H        GLY  29  34.823  27.152  16.279
  213    HA2  GLY  29           HA2      GLY  29  37.110  27.960  17.866
  214    HA3  GLY  29           HA3      GLY  29  36.726  26.328  17.340
  215    H    ILE  30           H        ILE  30  36.403  27.361  14.527
  216    HA   ILE  30           HA       ILE  30  39.241  27.209  13.845
  217    HB   ILE  30           HB       ILE  30  36.884  27.068  11.968
  218   HG12  ILE  30          HG12      ILE  30  38.424  24.788  13.227
  219   HG13  ILE  30          HG13      ILE  30  36.801  25.284  13.695
  220   HG21  ILE  30          HG21      ILE  30  38.869  27.584  10.779
  221   HG22  ILE  30          HG22      ILE  30  39.803  26.399  11.690
  222   HG23  ILE  30          HG23      ILE  30  38.576  25.861  10.544
  223   HD11  ILE  30          HD11      ILE  30  36.529  23.430  12.288
  224   HD12  ILE  30          HD12      ILE  30  36.132  24.833  11.296
  225   HD13  ILE  30          HD13      ILE  30  37.698  24.041  11.118
  226    H    SER  31           H        SER  31  36.789  29.509  14.146
  227    HA   SER  31           HA       SER  31  38.156  31.358  12.308
  228    HB2  SER  31           HB2      SER  31  35.376  30.824  12.797
  229    HB3  SER  31           HB3      SER  31  35.727  32.504  13.203
  230    HG   SER  31           HG       SER  31  35.742  31.230  10.753
  231    H    ASP  32           H        ASP  32  38.121  30.534  15.459
  232    HA   ASP  32           HA       ASP  32  37.772  32.817  16.958
  233    HB2  ASP  32           HB2      ASP  32  39.061  30.274  17.300
  234    HB3  ASP  32           HB3      ASP  32  40.069  31.537  18.001
  235    HA   PRO  33           HA       PRO  33  40.904  35.692  15.878
  236    HB2  PRO  33           HB2      PRO  33  41.458  36.822  18.284
  237    HB3  PRO  33           HB3      PRO  33  39.956  37.125  17.403
  238    HG2  PRO  33           HG2      PRO  33  40.470  35.252  19.681
  239    HG3  PRO  33           HG3      PRO  33  39.094  36.338  19.414
  240    HD2  PRO  33           HD2      PRO  33  38.978  33.685  18.888
  241    HD3  PRO  33           HD3      PRO  33  38.069  34.885  17.948
  242    H    GLN  34           H        GLN  34  41.689  33.905  18.864
  243    HA   GLN  34           HA       GLN  34  44.426  34.291  18.888
  244    HB2  GLN  34           HB2      GLN  34  42.768  31.943  19.797
  245    HB3  GLN  34           HB3      GLN  34  44.499  32.051  20.086
  246    HG2  GLN  34           HG2      GLN  34  43.496  34.481  20.971
  247    HG3  GLN  34           HG3      GLN  34  42.308  33.290  21.497
  248   HE21  GLN  34          HE21      GLN  34  43.478  31.207  22.348
  249   HE22  GLN  34          HE22      GLN  34  44.704  31.513  23.526
  250    H    HIS  35           H        HIS  35  42.509  32.235  16.851
  251    HA   HIS  35           HA       HIS  35  44.332  30.350  15.995
  252    HB2  HIS  35           HB2      HIS  35  41.793  31.051  15.266
  253    HB3  HIS  35           HB3      HIS  35  42.706  31.510  13.832
  254    HD1  HIS  35           HD1      HIS  35  40.721  29.232  13.611
  255    HD2  HIS  35           HD2      HIS  35  44.718  28.680  14.601
  256    HE1  HIS  35           HE1      HIS  35  41.240  26.847  13.006
  257    H    ARG  36           H        ARG  36  44.088  33.737  15.131
  258    HA   ARG  36           HA       ARG  36  45.822  33.693  12.905
  259    HB2  ARG  36           HB2      ARG  36  44.351  35.633  14.348
  260    HB3  ARG  36           HB3      ARG  36  46.021  36.183  14.314
  261    HG2  ARG  36           HG2      ARG  36  44.939  35.208  11.754
  262    HG3  ARG  36           HG3      ARG  36  44.235  36.701  12.380
  263    HD2  ARG  36           HD2      ARG  36  46.109  37.885  12.010
  264    HD3  ARG  36           HD3      ARG  36  47.160  36.571  12.536
  265    HE   ARG  36           HE       ARG  36  46.140  35.796  10.096
  266   HH11  ARG  36          HH12      ARG  36  48.049  38.435  11.326
  267   HH12  ARG  36          HH11      ARG  36  48.908  38.677   9.842
  268   HH21  ARG  36          HH22      ARG  36  47.265  36.105   8.136
  269   HH22  ARG  36          HH21      ARG  36  48.461  37.351   8.027
  270    H    ARG  37           H        ARG  37  46.387  34.179  16.361
  271    HA   ARG  37           HA       ARG  37  49.153  34.782  16.107
  272    HB2  ARG  37           HB2      ARG  37  47.446  33.889  18.425
  273    HB3  ARG  37           HB3      ARG  37  49.172  34.181  18.590
  274    HG2  ARG  37           HG2      ARG  37  48.761  36.499  17.718
  275    HG3  ARG  37           HG3      ARG  37  47.034  36.162  17.858
  276    HD2  ARG  37           HD2      ARG  37  47.133  36.000  20.184
  277    HD3  ARG  37           HD3      ARG  37  48.880  35.763  20.184
  278    HE   ARG  37           HE       ARG  37  48.142  38.314  19.143
  279   HH11  ARG  37          HH12      ARG  37  48.622  36.514  22.084
  280   HH12  ARG  37          HH11      ARG  37  48.984  37.916  23.037
  281   HH21  ARG  37          HH22      ARG  37  48.616  40.167  20.387
  282   HH22  ARG  37          HH21      ARG  37  48.979  39.993  22.071
  283    H    LYS  38           H        LYS  38  47.316  31.825  16.437
  284    HA   LYS  38           HA       LYS  38  49.649  30.194  16.926
  285    HB2  LYS  38           HB2      LYS  38  46.738  29.807  16.855
  286    HB3  LYS  38           HB3      LYS  38  47.656  28.446  16.225
  287    HG2  LYS  38           HG2      LYS  38  48.485  27.893  18.247
  288    HG3  LYS  38           HG3      LYS  38  48.600  29.571  18.781
  289    HD2  LYS  38           HD2      LYS  38  45.876  28.481  18.394
  290    HD3  LYS  38           HD3      LYS  38  46.799  27.844  19.757
  291    HE2  LYS  38           HE2      LYS  38  47.106  30.681  19.666
  292    HE3  LYS  38           HE3      LYS  38  45.389  30.288  19.580
  293    HZ1  LYS  38           HZ1      LYS  38  47.207  29.138  21.619
  294    HZ2  LYS  38           HZ2      LYS  38  45.517  29.093  21.598
  295    HZ3  LYS  38           HZ3      LYS  38  46.320  30.557  21.872
  296    H    LEU  39           H        LEU  39  47.891  31.356  14.202
  297    HA   LEU  39           HA       LEU  39  48.970  29.345  12.401
  298    HB2  LEU  39           HB2      LEU  39  46.640  30.405  12.260
  299    HB3  LEU  39           HB3      LEU  39  47.466  31.815  11.598
  300    HG   LEU  39           HG       LEU  39  48.359  30.309   9.789
  301   HD11  LEU  39          HD11      LEU  39  48.182  28.138  10.531
  302   HD12  LEU  39          HD12      LEU  39  46.771  28.265   9.482
  303   HD13  LEU  39          HD13      LEU  39  46.583  28.392  11.231
  304   HD21  LEU  39          HD21      LEU  39  45.729  30.000   9.012
  305   HD22  LEU  39          HD22      LEU  39  46.731  31.429   8.758
  306   HD23  LEU  39          HD23      LEU  39  45.668  31.335  10.163
  307    H    LEU  40           H        LEU  40  49.712  32.513  13.524
  308    HA   LEU  40           HA       LEU  40  51.347  33.279  11.296
  309    HB2  LEU  40           HB2      LEU  40  50.362  35.012  12.598
  310    HB3  LEU  40           HB3      LEU  40  51.038  34.357  14.088
  311    HG   LEU  40           HG       LEU  40  53.003  35.171  12.044
  312   HD11  LEU  40          HD11      LEU  40  51.757  37.359  13.642
  313   HD12  LEU  40          HD12      LEU  40  51.041  36.891  12.101
  314   HD13  LEU  40          HD13      LEU  40  52.713  37.447  12.163
  315   HD21  LEU  40          HD21      LEU  40  54.254  35.840  13.930
  316   HD22  LEU  40          HD22      LEU  40  53.462  34.333  14.389
  317   HD23  LEU  40          HD23      LEU  40  52.825  35.875  14.963
  318    H    GLN  41           H        GLN  41  51.908  31.873  14.486
  319    HA   GLN  41           HA       GLN  41  54.757  31.926  14.272
  320    HB2  GLN  41           HB2      GLN  41  52.971  31.528  16.325
  321    HB3  GLN  41           HB3      GLN  41  53.620  29.913  16.073
  322    HG2  GLN  41           HG2      GLN  41  55.708  30.490  16.761
  323    HG3  GLN  41           HG3      GLN  41  55.543  32.162  16.229
  324   HE21  GLN  41          HE21      GLN  41  56.438  32.764  18.267
  325   HE22  GLN  41          HE22      GLN  41  55.445  32.806  19.679
  326    H    ALA  42           H        ALA  42  52.261  29.771  13.236
  327    HA   ALA  42           HA       ALA  42  54.074  27.542  12.823
  328    HB1  ALA  42           HB1      ALA  42  52.137  26.334  12.040
  329    HB2  ALA  42           HB2      ALA  42  51.743  27.165  13.545
  330    HB3  ALA  42           HB3      ALA  42  51.185  27.819  12.005
  331    H    ALA  43           H        ALA  43  52.498  30.057  10.954
  332    HA   ALA  43           HA       ALA  43  53.296  28.952   8.412
  333    HB1  ALA  43           HB1      ALA  43  51.262  30.175   8.425
  334    HB2  ALA  43           HB2      ALA  43  52.027  31.568   9.191
  335    HB3  ALA  43           HB3      ALA  43  52.434  31.142   7.529
  336    H    ARG  44           H        ARG  44  54.636  31.082  10.771
  337    HA   ARG  44           HA       ARG  44  56.462  32.413   9.004
  338    HB2  ARG  44           HB2      ARG  44  55.896  33.623  10.948
  339    HB3  ARG  44           HB3      ARG  44  56.196  32.242  11.995
  340    HG2  ARG  44           HG2      ARG  44  58.418  32.627  12.097
  341    HG3  ARG  44           HG3      ARG  44  58.501  33.229  10.440
  342    HD2  ARG  44           HD2      ARG  44  58.839  35.191  11.536
  343    HD3  ARG  44           HD3      ARG  44  57.076  35.204  11.503
  344    HE   ARG  44           HE       ARG  44  57.946  33.892  13.830
  345   HH11  ARG  44          HH12      ARG  44  57.841  37.072  12.416
  346   HH12  ARG  44          HH11      ARG  44  57.782  37.891  13.942
  347   HH21  ARG  44          HH22      ARG  44  57.869  34.958  15.845
  348   HH22  ARG  44          HH21      ARG  44  57.799  36.688  15.892
  349    HN1  NH2  45           HN1      NH2  45  56.436  29.452  10.833
  350    HN2  NH2  45           HN2      NH2  45  58.061  28.962  10.488
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1   8.165  10.516  -4.543
    2    H2   ACE   1           H2       ACE   1   7.437   9.679  -5.934
    3    H3   ACE   1           H3       ACE   1   6.454  10.788  -4.949
    4    H    SER   2           H        SER   2   8.574   9.139  -3.025
    5    HA   SER   2           HA       SER   2   6.699   6.932  -2.528
    6    HB2  SER   2           HB2      SER   2   9.276   6.905  -1.103
    7    HB3  SER   2           HB3      SER   2   8.469   5.619  -2.000
    8    HG   SER   2           HG       SER   2   9.938   6.020  -3.448
    9    H    LYS   3           H        LYS   3   7.083   6.230  -0.019
   10    HA   LYS   3           HA       LYS   3   5.877   8.389   1.469
   11    HB2  LYS   3           HB2      LYS   3   5.847   5.558   1.585
   12    HB3  LYS   3           HB3      LYS   3   6.492   6.127   3.119
   13    HG2  LYS   3           HG2      LYS   3   4.416   7.769   2.949
   14    HG3  LYS   3           HG3      LYS   3   3.788   6.453   1.954
   15    HD2  LYS   3           HD2      LYS   3   4.807   5.090   4.080
   16    HD3  LYS   3           HD3      LYS   3   4.253   6.579   4.850
   17    HE2  LYS   3           HE2      LYS   3   2.550   4.909   3.010
   18    HE3  LYS   3           HE3      LYS   3   2.562   4.727   4.763
   19    HZ1  LYS   3           HZ1      LYS   3   0.867   6.191   4.568
   20    HZ2  LYS   3           HZ2      LYS   3   1.440   6.862   3.125
   21    HZ3  LYS   3           HZ3      LYS   3   2.129   7.318   4.601
   22    H    LEU   4           H        LEU   4   8.941   6.675   1.410
   23    HA   LEU   4           HA       LEU   4   9.969   7.749   3.826
   24    HB2  LEU   4           HB2      LEU   4  12.114   6.931   3.072
   25    HB3  LEU   4           HB3      LEU   4  10.861   5.727   2.778
   26    HG   LEU   4           HG       LEU   4  11.164   7.304   0.425
   27   HD11  LEU   4          HD11      LEU   4  13.401   7.827   1.359
   28   HD12  LEU   4          HD12      LEU   4  13.461   6.912  -0.147
   29   HD13  LEU   4          HD13      LEU   4  13.751   6.098   1.390
   30   HD21  LEU   4          HD21      LEU   4  10.380   5.184   0.072
   31   HD22  LEU   4          HD22      LEU   4  11.466   4.463   1.260
   32   HD23  LEU   4          HD23      LEU   4  12.084   4.952  -0.319
   33    H    LEU   5           H        LEU   5   9.773   8.925   0.564
   34    HA   LEU   5           HA       LEU   5  11.798  10.842   0.572
   35    HB2  LEU   5           HB2      LEU   5   9.990  10.032  -1.234
   36    HB3  LEU   5           HB3      LEU   5   9.245  11.551  -0.743
   37    HG   LEU   5           HG       LEU   5  12.116  11.624  -1.489
   38   HD11  LEU   5          HD11      LEU   5  10.865  10.150  -3.168
   39   HD12  LEU   5          HD12      LEU   5  11.777  11.522  -3.794
   40   HD13  LEU   5          HD13      LEU   5  10.024  11.627  -3.637
   41   HD21  LEU   5          HD21      LEU   5  11.375  13.764  -2.494
   42   HD22  LEU   5          HD22      LEU   5  11.031  13.648  -0.768
   43   HD23  LEU   5          HD23      LEU   5   9.735  13.418  -1.943
   44    H    LEU   6           H        LEU   6   8.715  10.807   2.151
   45    HA   LEU   6           HA       LEU   6   9.165  13.575   3.057
   46    HB2  LEU   6           HB2      LEU   6   6.742  12.148   2.184
   47    HB3  LEU   6           HB3      LEU   6   6.556  13.146   3.625
   48    HG   LEU   6           HG       LEU   6   5.900  14.322   1.570
   49   HD11  LEU   6          HD11      LEU   6   6.515  16.191   2.590
   50   HD12  LEU   6          HD12      LEU   6   8.196  15.946   2.118
   51   HD13  LEU   6          HD13      LEU   6   7.589  15.239   3.615
   52   HD21  LEU   6          HD21      LEU   6   7.628  14.994  -0.039
   53   HD22  LEU   6          HD22      LEU   6   7.407  13.245   0.001
   54   HD23  LEU   6          HD23      LEU   6   8.797  13.977   0.803
   55    H    ASN   7           H        ASN   7   7.323  10.711   4.128
   56    HA   ASN   7           HA       ASN   7   7.405  11.301   6.851
   57    HB2  ASN   7           HB2      ASN   7   7.275   8.561   5.571
   58    HB3  ASN   7           HB3      ASN   7   6.788   8.962   7.216
   59   HD21  ASN   7          HD21      ASN   7   4.935  10.254   7.532
   60   HD22  ASN   7          HD22      ASN   7   3.712  10.367   6.316
   61    H    GLY   8           H        GLY   8   9.780   9.836   4.774
   62    HA2  GLY   8           HA2      GLY   8  11.390   8.882   7.000
   63    HA3  GLY   8           HA3      GLY   8  11.780   8.740   5.292
   64    H    PHE   9           H        PHE   9  11.323  11.594   4.785
   65    HA   PHE   9           HA       PHE   9  13.956  12.513   5.302
   66    HB2  PHE   9           HB2      PHE   9  12.038  13.169   3.488
   67    HB3  PHE   9           HB3      PHE   9  11.929  14.536   4.592
   68    HD1  PHE   9           HD2      PHE   9  14.333  15.494   5.294
   69    HD2  PHE   9           HD1      PHE   9  13.453  13.382   1.705
   70    HE1  PHE   9           HE2      PHE   9  16.289  16.523   4.213
   71    HE2  PHE   9           HE1      PHE   9  15.408  14.406   0.618
   72    HZ   PHE   9           HZ       PHE   9  16.828  15.980   1.872
   73    H    ASP  10           H        ASP  10  10.935  12.833   6.965
   74    HA   ASP  10           HA       ASP  10  11.288  15.142   8.440
   75    HB2  ASP  10           HB2      ASP  10   9.282  13.546   8.396
   76    HB3  ASP  10           HB3      ASP  10  10.135  12.626   9.632
   77    H    ASP  11           H        ASP  11  12.283  11.845   9.356
   78    HA   ASP  11           HA       ASP  11  13.527  12.492  11.762
   79    HB2  ASP  11           HB2      ASP  11  13.461  10.212   9.951
   80    HB3  ASP  11           HB3      ASP  11  15.027  10.387  10.738
   81    H    VAL  12           H        VAL  12  14.586  12.937   8.494
   82    HA   VAL  12           HA       VAL  12  17.361  13.336   9.186
   83    HB   VAL  12           HB       VAL  12  15.964  14.013   6.596
   84   HG11  VAL  12          HG11      VAL  12  18.738  13.229   6.428
   85   HG12  VAL  12          HG12      VAL  12  17.942  14.686   5.830
   86   HG13  VAL  12          HG13      VAL  12  18.530  14.619   7.492
   87   HG21  VAL  12          HG21      VAL  12  15.608  11.696   6.956
   88   HG22  VAL  12          HG22      VAL  12  16.959  11.825   5.830
   89   HG23  VAL  12          HG23      VAL  12  17.259  11.460   7.530
   90    H    HIS  13           H        HIS  13  14.574  15.347   8.366
   91    HA   HIS  13           HA       HIS  13  15.833  17.817   8.166
   92    HB2  HIS  13           HB2      HIS  13  13.144  16.847   8.398
   93    HB3  HIS  13           HB3      HIS  13  13.345  18.245   9.449
   94    HD1  HIS  13           HD1      HIS  13  13.309  20.494   8.357
   95    HD2  HIS  13           HD2      HIS  13  13.779  17.408   5.616
   96    HE1  HIS  13           HE1      HIS  13  13.135  21.574   6.092
   97    H    PHE  14           H        PHE  14  15.159  15.878  10.950
   98    HA   PHE  14           HA       PHE  14  15.485  18.023  12.847
   99    HB2  PHE  14           HB2      PHE  14  14.067  15.964  13.234
  100    HB3  PHE  14           HB3      PHE  14  15.566  15.055  13.402
  101    HD1  PHE  14           HD1      PHE  14  13.569  17.806  14.850
  102    HD2  PHE  14           HD2      PHE  14  16.779  15.068  15.415
  103    HE1  PHE  14           HE1      PHE  14  13.665  18.415  17.232
  104    HE2  PHE  14           HE2      PHE  14  16.879  15.673  17.798
  105    HZ   PHE  14           HZ       PHE  14  15.320  17.347  18.709
  106    H    LEU  15           H        LEU  15  17.419  15.274  11.721
  107    HA   LEU  15           HA       LEU  15  19.611  15.598  13.416
  108    HB2  LEU  15           HB2      LEU  15  18.950  14.071  11.103
  109    HB3  LEU  15           HB3      LEU  15  20.557  14.759  10.880
  110    HG   LEU  15           HG       LEU  15  20.679  12.516  11.816
  111   HD11  LEU  15          HD11      LEU  15  22.322  14.307  12.445
  112   HD12  LEU  15          HD12      LEU  15  22.193  12.969  13.585
  113   HD13  LEU  15          HD13      LEU  15  21.416  14.511  13.945
  114   HD21  LEU  15          HD21      LEU  15  19.332  11.767  13.421
  115   HD22  LEU  15          HD22      LEU  15  18.428  13.272  13.256
  116   HD23  LEU  15          HD23      LEU  15  19.703  13.137  14.467
  117    H    GLY  16           H        GLY  16  18.756  17.235  10.430
  118    HA2  GLY  16           HA2      GLY  16  21.167  18.428   9.763
  119    HA3  GLY  16           HA3      GLY  16  19.590  19.146   9.467
  120    H    SER  17           H        SER  17  18.601  19.890  11.767
  121    HA   SER  17           HA       SER  17  20.013  22.184  12.477
  122    HB2  SER  17           HB2      SER  17  18.405  22.425  14.300
  123    HB3  SER  17           HB3      SER  17  17.582  21.877  12.840
  124    HG   SER  17           HG       SER  17  17.811  20.659  15.256
  125    H    ASN  18           H        ASN  18  20.122  18.948  13.789
  126    HA   ASN  18           HA       ASN  18  21.517  19.611  16.182
  127    HB2  ASN  18           HB2      ASN  18  20.250  17.370  15.262
  128    HB3  ASN  18           HB3      ASN  18  21.942  16.910  15.091
  129   HD21  ASN  18          HD21      ASN  18  19.371  16.890  17.126
  130   HD22  ASN  18          HD22      ASN  18  20.195  16.729  18.636
  131    H    VAL  19           H        VAL  19  22.568  18.213  13.080
  132    HA   VAL  19           HA       VAL  19  25.296  18.053  13.665
  133    HB   VAL  19           HB       VAL  19  24.123  18.602  10.938
  134   HG11  VAL  19          HG11      VAL  19  26.757  17.693  11.955
  135   HG12  VAL  19          HG12      VAL  19  26.157  16.960  10.466
  136   HG13  VAL  19          HG13      VAL  19  26.366  18.709  10.568
  137   HG21  VAL  19          HG21      VAL  19  23.053  16.660  11.083
  138   HG22  VAL  19          HG22      VAL  19  24.615  15.857  11.244
  139   HG23  VAL  19          HG23      VAL  19  23.729  16.356  12.684
  140    H    MET  20           H        MET  20  23.311  20.768  12.882
  141    HA   MET  20           HA       MET  20  25.559  22.465  12.178
  142    HB2  MET  20           HB2      MET  20  23.463  22.798  10.995
  143    HB3  MET  20           HB3      MET  20  22.617  23.071  12.513
  144    HG2  MET  20           HG2      MET  20  24.127  25.052  12.866
  145    HG3  MET  20           HG3      MET  20  24.670  24.828  11.205
  146    HE1  MET  20           HE1      MET  20  23.952  25.692   9.472
  147    HE2  MET  20           HE2      MET  20  22.314  25.305   8.946
  148    HE3  MET  20           HE3      MET  20  22.738  26.967   9.356
  149    H    GLU  21           H        GLU  21  23.374  21.931  14.882
  150    HA   GLU  21           HA       GLU  21  24.255  24.180  16.399
  151    HB2  GLU  21           HB2      GLU  21  22.090  23.293  16.881
  152    HB3  GLU  21           HB3      GLU  21  22.740  21.680  17.141
  153    HG2  GLU  21           HG2      GLU  21  23.234  22.099  19.271
  154    HG3  GLU  21           HG3      GLU  21  23.914  23.681  18.898
  155    H    GLU  22           H        GLU  22  25.370  20.921  15.978
  156    HA   GLU  22           HA       GLU  22  27.047  20.940  18.327
  157    HB2  GLU  22           HB2      GLU  22  27.849  18.772  17.515
  158    HB3  GLU  22           HB3      GLU  22  26.092  18.836  17.529
  159    HG2  GLU  22           HG2      GLU  22  26.491  17.842  15.508
  160    HG3  GLU  22           HG3      GLU  22  26.370  19.537  15.039
  161    H    GLN  23           H        GLN  23  27.384  21.557  14.896
  162    HA   GLN  23           HA       GLN  23  30.271  21.748  15.055
  163    HB2  GLN  23           HB2      GLN  23  28.449  21.239  13.005
  164    HB3  GLN  23           HB3      GLN  23  29.092  22.834  12.636
  165    HG2  GLN  23           HG2      GLN  23  31.395  21.788  12.980
  166    HG3  GLN  23           HG3      GLN  23  30.562  20.237  12.888
  167   HE21  GLN  23          HE21      GLN  23  29.013  20.116  10.949
  168   HE22  GLN  23          HE22      GLN  23  29.662  20.661   9.444
  169    H    ASP  24           H        ASP  24  27.539  23.816  15.342
  170    HA   ASP  24           HA       ASP  24  28.928  26.256  14.721
  171    HB2  ASP  24           HB2      ASP  24  26.488  26.031  14.402
  172    HB3  ASP  24           HB3      ASP  24  26.289  25.839  16.142
  173    H    LEU  25           H        LEU  25  28.350  24.326  17.552
  174    HA   LEU  25           HA       LEU  25  29.121  26.401  19.404
  175    HB2  LEU  25           HB2      LEU  25  27.862  23.854  19.547
  176    HB3  LEU  25           HB3      LEU  25  29.275  23.833  20.601
  177    HG   LEU  25           HG       LEU  25  28.423  25.696  21.865
  178   HD11  LEU  25          HD11      LEU  25  27.227  27.195  20.718
  179   HD12  LEU  25          HD12      LEU  25  25.847  26.160  21.082
  180   HD13  LEU  25          HD13      LEU  25  26.684  26.001  19.538
  181   HD21  LEU  25          HD21      LEU  25  26.060  23.889  21.501
  182   HD22  LEU  25          HD22      LEU  25  26.690  24.613  22.981
  183   HD23  LEU  25          HD23      LEU  25  27.565  23.293  22.203
  184    H    ARG  26           H        ARG  26  30.663  23.883  17.609
  185    HA   ARG  26           HA       ARG  26  33.094  24.042  19.220
  186    HB2  ARG  26           HB2      ARG  26  33.866  22.138  18.036
  187    HB3  ARG  26           HB3      ARG  26  32.165  21.844  18.374
  188    HG2  ARG  26           HG2      ARG  26  32.044  21.293  16.215
  189    HG3  ARG  26           HG3      ARG  26  32.037  23.035  15.931
  190    HD2  ARG  26           HD2      ARG  26  33.704  22.229  14.506
  191    HD3  ARG  26           HD3      ARG  26  34.589  22.852  15.898
  192    HE   ARG  26           HE       ARG  26  34.272  20.258  16.529
  193   HH11  ARG  26          HH12      ARG  26  35.418  21.853  13.655
  194   HH12  ARG  26          HH11      ARG  26  36.488  20.566  13.210
  195   HH21  ARG  26          HH22      ARG  26  35.678  18.556  15.954
  196   HH22  ARG  26          HH21      ARG  26  36.635  18.691  14.517
  197    H    ASP  27           H        ASP  27  31.767  25.155  16.223
  198    HA   ASP  27           HA       ASP  27  34.197  25.752  14.891
  199    HB2  ASP  27           HB2      ASP  27  31.332  26.466  14.543
  200    HB3  ASP  27           HB3      ASP  27  32.518  27.512  13.767
  201    H    ILE  28           H        ILE  28  32.323  27.397  17.315
  202    HA   ILE  28           HA       ILE  28  33.224  30.011  17.017
  203    HB   ILE  28           HB       ILE  28  32.594  28.558  19.589
  204   HG12  ILE  28          HG12      ILE  28  30.707  30.479  18.336
  205   HG13  ILE  28          HG13      ILE  28  30.890  28.918  17.543
  206   HG21  ILE  28          HG21      ILE  28  33.457  30.410  20.516
  207   HG22  ILE  28          HG22      ILE  28  33.392  31.316  19.005
  208   HG23  ILE  28          HG23      ILE  28  31.947  31.165  20.005
  209   HD11  ILE  28          HD11      ILE  28  30.432  27.884  19.812
  210   HD12  ILE  28          HD12      ILE  28  29.921  29.495  20.318
  211   HD13  ILE  28          HD13      ILE  28  29.079  28.676  19.003
  212    H    GLY  29           H        GLY  29  34.865  27.203  18.225
  213    HA2  GLY  29           HA2      GLY  29  37.056  28.842  19.287
  214    HA3  GLY  29           HA3      GLY  29  36.845  27.117  19.542
  215    H    ILE  30           H        ILE  30  36.228  27.705  16.354
  216    HA   ILE  30           HA       ILE  30  39.035  27.204  15.601
  217    HB   ILE  30           HB       ILE  30  36.644  26.135  14.108
  218   HG12  ILE  30          HG12      ILE  30  38.379  24.712  16.139
  219   HG13  ILE  30          HG13      ILE  30  36.695  25.168  16.370
  220   HG21  ILE  30          HG21      ILE  30  39.416  26.304  13.534
  221   HG22  ILE  30          HG22      ILE  30  39.013  24.606  13.781
  222   HG23  ILE  30          HG23      ILE  30  38.139  25.553  12.577
  223   HD11  ILE  30          HD11      ILE  30  36.699  22.877  15.848
  224   HD12  ILE  30          HD12      ILE  30  36.166  23.704  14.384
  225   HD13  ILE  30          HD13      ILE  30  37.820  23.104  14.506
  226    H    SER  31           H        SER  31  36.462  29.300  15.350
  227    HA   SER  31           HA       SER  31  37.425  30.366  12.777
  228    HB2  SER  31           HB2      SER  31  34.769  29.852  13.742
  229    HB3  SER  31           HB3      SER  31  34.956  31.580  13.447
  230    HG   SER  31           HG       SER  31  34.391  30.765  11.510
  231    H    ASP  32           H        ASP  32  37.719  30.815  15.991
  232    HA   ASP  32           HA       ASP  32  37.230  33.468  16.551
  233    HB2  ASP  32           HB2      ASP  32  38.822  31.355  17.676
  234    HB3  ASP  32           HB3      ASP  32  39.719  32.869  17.746
  235    HA   PRO  33           HA       PRO  33  39.946  35.931  14.144
  236    HB2  PRO  33           HB2      PRO  33  40.570  37.921  15.882
  237    HB3  PRO  33           HB3      PRO  33  38.978  37.766  15.130
  238    HG2  PRO  33           HG2      PRO  33  39.871  36.932  17.863
  239    HG3  PRO  33           HG3      PRO  33  38.370  37.741  17.375
  240    HD2  PRO  33           HD2      PRO  33  38.495  35.084  17.882
  241    HD3  PRO  33           HD3      PRO  33  37.390  35.775  16.676
  242    H    GLN  34           H        GLN  34  41.151  35.437  17.463
  243    HA   GLN  34           HA       GLN  34  43.830  35.992  17.018
  244    HB2  GLN  34           HB2      GLN  34  42.504  34.083  18.939
  245    HB3  GLN  34           HB3      GLN  34  44.234  34.399  18.958
  246    HG2  GLN  34           HG2      GLN  34  43.863  36.715  19.460
  247    HG3  GLN  34           HG3      GLN  34  42.121  36.517  19.274
  248   HE21  GLN  34          HE21      GLN  34  42.929  37.612  21.543
  249   HE22  GLN  34          HE22      GLN  34  42.807  36.506  22.864
  250    H    HIS  35           H        HIS  35  41.963  33.231  16.094
  251    HA   HIS  35           HA       HIS  35  43.905  31.271  15.821
  252    HB2  HIS  35           HB2      HIS  35  41.245  31.455  15.218
  253    HB3  HIS  35           HB3      HIS  35  41.963  31.378  13.612
  254    HD1  HIS  35           HD1      HIS  35  40.238  29.065  14.532
  255    HD2  HIS  35           HD2      HIS  35  44.346  29.220  15.131
  256    HE1  HIS  35           HE1      HIS  35  40.966  26.675  14.819
  257    H    ARG  36           H        ARG  36  43.302  34.098  13.884
  258    HA   ARG  36           HA       ARG  36  44.665  33.357  11.544
  259    HB2  ARG  36           HB2      ARG  36  43.398  35.673  12.554
  260    HB3  ARG  36           HB3      ARG  36  45.026  36.153  12.093
  261    HG2  ARG  36           HG2      ARG  36  43.319  34.556  10.226
  262    HG3  ARG  36           HG3      ARG  36  43.137  36.307  10.353
  263    HD2  ARG  36           HD2      ARG  36  44.800  36.488   8.886
  264    HD3  ARG  36           HD3      ARG  36  45.878  35.903  10.153
  265    HE   ARG  36           HE       ARG  36  44.931  33.618   9.099
  266   HH11  ARG  36          HH12      ARG  36  46.319  36.469   7.663
  267   HH12  ARG  36          HH11      ARG  36  47.000  35.619   6.316
  268   HH21  ARG  36          HH22      ARG  36  45.823  32.486   7.330
  269   HH22  ARG  36          HH21      ARG  36  46.716  33.353   6.127
  270    H    ARG  37           H        ARG  37  45.824  35.307  14.300
  271    HA   ARG  37           HA       ARG  37  48.499  35.438  13.419
  272    HB2  ARG  37           HB2      ARG  37  49.016  36.242  15.653
  273    HB3  ARG  37           HB3      ARG  37  47.532  36.987  15.074
  274    HG2  ARG  37           HG2      ARG  37  46.272  36.033  16.672
  275    HG3  ARG  37           HG3      ARG  37  47.177  34.519  16.631
  276    HD2  ARG  37           HD2      ARG  37  49.022  35.655  17.845
  277    HD3  ARG  37           HD3      ARG  37  48.003  37.087  17.977
  278    HE   ARG  37           HE       ARG  37  46.795  34.689  19.013
  279   HH11  ARG  37          HH12      ARG  37  48.844  37.413  19.720
  280   HH12  ARG  37          HH11      ARG  37  48.547  37.360  21.426
  281   HH21  ARG  37          HH22      ARG  37  46.396  34.608  21.257
  282   HH22  ARG  37          HH21      ARG  37  47.155  35.763  22.300
  283    H    LYS  38           H        LYS  38  46.702  32.945  14.932
  284    HA   LYS  38           HA       LYS  38  49.033  31.571  15.981
  285    HB2  LYS  38           HB2      LYS  38  46.320  31.555  16.604
  286    HB3  LYS  38           HB3      LYS  38  46.594  29.992  15.847
  287    HG2  LYS  38           HG2      LYS  38  46.944  29.605  18.114
  288    HG3  LYS  38           HG3      LYS  38  48.571  29.763  17.448
  289    HD2  LYS  38           HD2      LYS  38  48.690  31.081  19.346
  290    HD3  LYS  38           HD3      LYS  38  48.309  32.267  18.095
  291    HE2  LYS  38           HE2      LYS  38  46.804  32.838  19.742
  292    HE3  LYS  38           HE3      LYS  38  45.839  31.743  18.752
  293    HZ1  LYS  38           HZ1      LYS  38  45.514  31.116  20.988
  294    HZ2  LYS  38           HZ2      LYS  38  47.170  31.149  21.332
  295    HZ3  LYS  38           HZ3      LYS  38  46.540  29.945  20.326
  296    H    LEU  39           H        LEU  39  47.051  31.563  13.138
  297    HA   LEU  39           HA       LEU  39  48.173  29.030  12.214
  298    HB2  LEU  39           HB2      LEU  39  45.701  30.073  11.932
  299    HB3  LEU  39           HB3      LEU  39  46.443  30.616  10.429
  300    HG   LEU  39           HG       LEU  39  47.097  28.134  10.123
  301   HD11  LEU  39          HD11      LEU  39  46.604  27.223  12.236
  302   HD12  LEU  39          HD12      LEU  39  45.336  26.638  11.160
  303   HD13  LEU  39          HD13      LEU  39  45.005  27.966  12.273
  304   HD21  LEU  39          HD21      LEU  39  44.152  28.571   9.939
  305   HD22  LEU  39          HD22      LEU  39  45.258  27.843   8.774
  306   HD23  LEU  39          HD23      LEU  39  45.240  29.593   8.999
  307    H    LEU  40           H        LEU  40  48.677  32.396  11.923
  308    HA   LEU  40           HA       LEU  40  49.964  32.309   9.348
  309    HB2  LEU  40           HB2      LEU  40  49.308  34.345  11.362
  310    HB3  LEU  40           HB3      LEU  40  50.795  34.643  10.463
  311    HG   LEU  40           HG       LEU  40  48.108  34.177   9.176
  312   HD11  LEU  40          HD11      LEU  40  48.673  36.343  10.671
  313   HD12  LEU  40          HD12      LEU  40  47.645  36.380   9.239
  314   HD13  LEU  40          HD13      LEU  40  49.340  36.851   9.120
  315   HD21  LEU  40          HD21      LEU  40  49.108  34.626   7.161
  316   HD22  LEU  40          HD22      LEU  40  50.410  33.772   7.989
  317   HD23  LEU  40          HD23      LEU  40  50.431  35.534   7.893
  318    H    GLN  41           H        GLN  41  50.979  32.408  12.730
  319    HA   GLN  41           HA       GLN  41  53.774  32.544  12.102
  320    HB2  GLN  41           HB2      GLN  41  52.151  32.254  14.586
  321    HB3  GLN  41           HB3      GLN  41  53.845  31.786  14.642
  322    HG2  GLN  41           HG2      GLN  41  52.751  34.487  13.895
  323    HG3  GLN  41           HG3      GLN  41  53.593  34.061  15.384
  324   HE21  GLN  41          HE21      GLN  41  54.023  35.755  12.754
  325   HE22  GLN  41          HE22      GLN  41  55.701  35.494  12.437
  326    H    ALA  42           H        ALA  42  51.438  30.036  12.447
  327    HA   ALA  42           HA       ALA  42  53.428  27.955  12.842
  328    HB1  ALA  42           HB1      ALA  42  50.498  27.551  12.301
  329    HB2  ALA  42           HB2      ALA  42  51.626  26.453  13.095
  330    HB3  ALA  42           HB3      ALA  42  51.128  27.940  13.902
  331    H    ALA  43           H        ALA  43  51.353  29.212  10.293
  332    HA   ALA  43           HA       ALA  43  51.959  27.135   8.420
  333    HB1  ALA  43           HB1      ALA  43  50.755  28.455   6.818
  334    HB2  ALA  43           HB2      ALA  43  49.883  28.499   8.352
  335    HB3  ALA  43           HB3      ALA  43  50.857  29.882   7.850
  336    H    ARG  44           H        ARG  44  53.302  30.278   9.196
  337    HA   ARG  44           HA       ARG  44  54.896  30.579   6.878
  338    HB2  ARG  44           HB2      ARG  44  55.941  32.380   8.000
  339    HB3  ARG  44           HB3      ARG  44  54.275  32.373   8.565
  340    HG2  ARG  44           HG2      ARG  44  55.258  32.586  10.576
  341    HG3  ARG  44           HG3      ARG  44  55.398  30.831  10.452
  342    HD2  ARG  44           HD2      ARG  44  57.551  31.424  11.012
  343    HD3  ARG  44           HD3      ARG  44  57.646  31.377   9.252
  344    HE   ARG  44           HE       ARG  44  56.987  33.973  10.270
  345   HH11  ARG  44          HH12      ARG  44  59.594  31.771   9.580
  346   HH12  ARG  44          HH11      ARG  44  60.778  33.023   9.400
  347   HH21  ARG  44          HH22      ARG  44  58.537  35.631  10.036
  348   HH22  ARG  44          HH21      ARG  44  60.176  35.218   9.661
  349    HN1  NH2  45           HN1      NH2  45  55.266  28.752   9.819
  350    HN2  NH2  45           HN2      NH2  45  56.858  28.146   9.504
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1   7.698   2.316   1.685
    2    H2   ACE   1           H2       ACE   1   9.247   2.158   0.822
    3    H3   ACE   1           H3       ACE   1   9.158   3.108   2.325
    4    H    SER   2           H        SER   2   6.575   3.222   0.066
    5    HA   SER   2           HA       SER   2   7.539   5.781  -1.008
    6    HB2  SER   2           HB2      SER   2   6.022   3.561  -2.126
    7    HB3  SER   2           HB3      SER   2   5.222   5.110  -2.396
    8    HG   SER   2           HG       SER   2   7.496   5.766  -3.058
    9    H    LYS   3           H        LYS   3   5.041   4.302   0.894
   10    HA   LYS   3           HA       LYS   3   3.329   6.631   0.866
   11    HB2  LYS   3           HB2      LYS   3   3.148   3.876   1.768
   12    HB3  LYS   3           HB3      LYS   3   2.526   4.994   2.975
   13    HG2  LYS   3           HG2      LYS   3   0.683   4.395   1.656
   14    HG3  LYS   3           HG3      LYS   3   1.140   6.013   1.117
   15    HD2  LYS   3           HD2      LYS   3   1.308   5.239  -0.960
   16    HD3  LYS   3           HD3      LYS   3   2.622   4.183  -0.437
   17    HE2  LYS   3           HE2      LYS   3  -0.141   3.290   0.148
   18    HE3  LYS   3           HE3      LYS   3   0.366   3.265  -1.540
   19    HZ1  LYS   3           HZ1      LYS   3   0.790   1.246   0.091
   20    HZ2  LYS   3           HZ2      LYS   3   2.202   2.118   0.416
   21    HZ3  LYS   3           HZ3      LYS   3   1.858   1.624  -1.165
   22    H    LEU   4           H        LEU   4   5.825   5.270   2.884
   23    HA   LEU   4           HA       LEU   4   5.311   7.227   4.992
   24    HB2  LEU   4           HB2      LEU   4   7.095   4.824   4.782
   25    HB3  LEU   4           HB3      LEU   4   7.271   5.995   6.087
   26    HG   LEU   4           HG       LEU   4   4.538   5.019   5.793
   27   HD11  LEU   4          HD11      LEU   4   5.009   2.792   6.730
   28   HD12  LEU   4          HD12      LEU   4   6.730   3.060   6.460
   29   HD13  LEU   4          HD13      LEU   4   5.625   2.978   5.088
   30   HD21  LEU   4          HD21      LEU   4   6.537   5.544   7.928
   31   HD22  LEU   4          HD22      LEU   4   5.199   4.453   8.290
   32   HD23  LEU   4          HD23      LEU   4   4.874   6.107   7.770
   33    H    LEU   5           H        LEU   5   6.189   8.213   2.477
   34    HA   LEU   5           HA       LEU   5   8.935   8.660   2.279
   35    HB2  LEU   5           HB2      LEU   5   8.395  10.496   0.826
   36    HB3  LEU   5           HB3      LEU   5   7.301   9.151   0.507
   37    HG   LEU   5           HG       LEU   5   5.813  10.583   2.248
   38   HD11  LEU   5          HD11      LEU   5   6.049  12.882   1.983
   39   HD12  LEU   5          HD12      LEU   5   7.098  12.711   0.576
   40   HD13  LEU   5          HD13      LEU   5   7.708  12.318   2.183
   41   HD21  LEU   5          HD21      LEU   5   4.476  11.141   0.416
   42   HD22  LEU   5          HD22      LEU   5   5.348   9.701  -0.112
   43   HD23  LEU   5          HD23      LEU   5   5.861  11.296  -0.666
   44    H    LEU   6           H        LEU   6   6.532  10.133   4.317
   45    HA   LEU   6           HA       LEU   6   8.074  12.423   5.041
   46    HB2  LEU   6           HB2      LEU   6   5.800  11.122   6.532
   47    HB3  LEU   6           HB3      LEU   6   6.417  12.755   6.779
   48    HG   LEU   6           HG       LEU   6   5.692  12.621   4.075
   49   HD11  LEU   6          HD11      LEU   6   3.461  11.827   4.032
   50   HD12  LEU   6          HD12      LEU   6   3.442  11.576   5.777
   51   HD13  LEU   6          HD13      LEU   6   4.439  10.546   4.750
   52   HD21  LEU   6          HD21      LEU   6   3.795  14.114   4.948
   53   HD22  LEU   6          HD22      LEU   6   5.457  14.635   5.228
   54   HD23  LEU   6          HD23      LEU   6   4.534  13.889   6.534
   55    H    ASN   7           H        ASN   7   7.647   9.188   6.362
   56    HA   ASN   7           HA       ASN   7   8.991   9.623   8.809
   57    HB2  ASN   7           HB2      ASN   7   7.561   7.688   8.519
   58    HB3  ASN   7           HB3      ASN   7   8.574   7.090   7.209
   59   HD21  ASN   7          HD21      ASN   7  10.590   6.201   7.684
   60   HD22  ASN   7          HD22      ASN   7  11.000   5.674   9.278
   61    H    GLY   8           H        GLY   8  10.100   9.016   5.570
   62    HA2  GLY   8           HA2      GLY   8  12.783   8.303   6.389
   63    HA3  GLY   8           HA3      GLY   8  12.218   8.533   4.740
   64    H    PHE   9           H        PHE   9  11.210  11.115   4.902
   65    HA   PHE   9           HA       PHE   9  13.636  12.621   4.737
   66    HB2  PHE   9           HB2      PHE   9  11.275  12.839   3.477
   67    HB3  PHE   9           HB3      PHE   9  11.022  14.031   4.748
   68    HD1  PHE   9           HD2      PHE   9  13.449  13.054   2.105
   69    HD2  PHE   9           HD1      PHE   9  11.820  16.186   4.484
   70    HE1  PHE   9           HE2      PHE   9  14.731  14.704   0.805
   71    HE2  PHE   9           HE1      PHE   9  13.099  17.840   3.187
   72    HZ   PHE   9           HZ       PHE   9  14.557  17.100   1.346
   73    H    ASP  10           H        ASP  10  11.169  12.159   7.130
   74    HA   ASP  10           HA       ASP  10  11.376  14.439   8.672
   75    HB2  ASP  10           HB2      ASP  10   9.717  12.851   9.260
   76    HB3  ASP  10           HB3      ASP  10  10.906  11.564   9.443
   77    H    ASP  11           H        ASP  11  13.304  11.460   8.986
   78    HA   ASP  11           HA       ASP  11  14.962  12.314  11.057
   79    HB2  ASP  11           HB2      ASP  11  14.760  10.051   9.418
   80    HB3  ASP  11           HB3      ASP  11  16.399  10.649   9.174
   81    H    VAL  12           H        VAL  12  15.004  13.075   7.671
   82    HA   VAL  12           HA       VAL  12  17.690  14.116   7.668
   83    HB   VAL  12           HB       VAL  12  15.502  14.514   5.623
   84   HG11  VAL  12          HG11      VAL  12  17.007  16.088   4.978
   85   HG12  VAL  12          HG12      VAL  12  18.361  15.277   5.768
   86   HG13  VAL  12          HG13      VAL  12  17.760  14.686   4.218
   87   HG21  VAL  12          HG21      VAL  12  17.060  12.193   6.301
   88   HG22  VAL  12          HG22      VAL  12  15.764  12.364   5.117
   89   HG23  VAL  12          HG23      VAL  12  17.429  12.726   4.661
   90    H    HIS  13           H        HIS  13  14.415  15.462   7.747
   91    HA   HIS  13           HA       HIS  13  15.035  18.162   7.529
   92    HB2  HIS  13           HB2      HIS  13  12.753  16.594   8.236
   93    HB3  HIS  13           HB3      HIS  13  12.909  17.905   9.400
   94    HD1  HIS  13           HD1      HIS  13  11.609  19.880   8.720
   95    HD2  HIS  13           HD2      HIS  13  13.082  17.811   5.432
   96    HE1  HIS  13           HE1      HIS  13  10.797  21.150   6.707
   97    H    PHE  14           H        PHE  14  15.483  15.980  10.180
   98    HA   PHE  14           HA       PHE  14  15.936  18.127  12.089
   99    HB2  PHE  14           HB2      PHE  14  14.774  16.018  12.756
  100    HB3  PHE  14           HB3      PHE  14  16.277  15.147  12.469
  101    HD1  PHE  14           HD2      PHE  14  15.057  18.125  14.359
  102    HD2  PHE  14           HD1      PHE  14  17.618  14.726  14.278
  103    HE1  PHE  14           HE2      PHE  14  15.773  18.614  16.661
  104    HE2  PHE  14           HE1      PHE  14  18.338  15.209  16.580
  105    HZ   PHE  14           HZ       PHE  14  17.416  17.156  17.775
  106    H    LEU  15           H        LEU  15  17.742  15.824  10.173
  107    HA   LEU  15           HA       LEU  15  20.238  16.115  11.460
  108    HB2  LEU  15           HB2      LEU  15  19.184  14.776   9.167
  109    HB3  LEU  15           HB3      LEU  15  20.670  15.609   8.715
  110    HG   LEU  15           HG       LEU  15  21.037  13.259   9.362
  111   HD11  LEU  15          HD11      LEU  15  23.059  13.996   9.883
  112   HD12  LEU  15          HD12      LEU  15  22.512  14.284  11.534
  113   HD13  LEU  15          HD13      LEU  15  22.401  15.570  10.332
  114   HD21  LEU  15          HD21      LEU  15  20.869  12.683  11.774
  115   HD22  LEU  15          HD22      LEU  15  19.308  12.955  10.998
  116   HD23  LEU  15          HD23      LEU  15  20.007  14.200  12.035
  117    H    GLY  16           H        GLY  16  18.841  17.718   8.609
  118    HA2  GLY  16           HA2      GLY  16  20.995  19.289   7.865
  119    HA3  GLY  16           HA3      GLY  16  19.313  19.752   7.651
  120    H    SER  17           H        SER  17  18.452  20.084  10.221
  121    HA   SER  17           HA       SER  17  19.515  22.639  10.853
  122    HB2  SER  17           HB2      SER  17  17.676  20.893  12.508
  123    HB3  SER  17           HB3      SER  17  17.933  22.625  12.718
  124    HG   SER  17           HG       SER  17  17.163  22.799  10.476
  125    H    ASN  18           H        ASN  18  20.527  19.520  11.629
  126    HA   ASN  18           HA       ASN  18  21.765  20.279  14.156
  127    HB2  ASN  18           HB2      ASN  18  20.745  17.891  13.207
  128    HB3  ASN  18           HB3      ASN  18  22.485  17.660  13.071
  129   HD21  ASN  18          HD21      ASN  18  19.859  17.447  15.087
  130   HD22  ASN  18          HD22      ASN  18  20.685  17.347  16.601
  131    H    VAL  19           H        VAL  19  22.745  19.136  10.936
  132    HA   VAL  19           HA       VAL  19  25.498  19.154  11.295
  133    HB   VAL  19           HB       VAL  19  24.074  19.932   8.748
  134   HG11  VAL  19          HG11      VAL  19  26.776  18.686   9.246
  135   HG12  VAL  19          HG12      VAL  19  26.055  18.968   7.660
  136   HG13  VAL  19          HG13      VAL  19  26.470  20.333   8.697
  137   HG21  VAL  19          HG21      VAL  19  23.137  17.910   8.821
  138   HG22  VAL  19          HG22      VAL  19  24.756  17.254   8.577
  139   HG23  VAL  19          HG23      VAL  19  24.112  17.425  10.209
  140    H    MET  20           H        MET  20  23.284  21.801  10.799
  141    HA   MET  20           HA       MET  20  25.331  23.727  10.188
  142    HB2  MET  20           HB2      MET  20  23.609  25.304  10.020
  143    HB3  MET  20           HB3      MET  20  22.857  23.806   9.489
  144    HG2  MET  20           HG2      MET  20  21.971  23.539  11.818
  145    HG3  MET  20           HG3      MET  20  22.553  25.169  12.148
  146    HE1  MET  20           HE1      MET  20  20.503  27.536  10.994
  147    HE2  MET  20           HE2      MET  20  22.173  27.026  10.749
  148    HE3  MET  20           HE3      MET  20  21.070  27.125   9.376
  149    H    GLU  21           H        GLU  21  23.597  22.651  13.040
  150    HA   GLU  21           HA       GLU  21  24.439  24.775  14.737
  151    HB2  GLU  21           HB2      GLU  21  22.495  23.551  15.377
  152    HB3  GLU  21           HB3      GLU  21  23.353  22.018  15.295
  153    HG2  GLU  21           HG2      GLU  21  23.990  22.179  17.407
  154    HG3  GLU  21           HG3      GLU  21  24.643  23.796  17.149
  155    H    GLU  22           H        GLU  22  25.753  21.634  13.888
  156    HA   GLU  22           HA       GLU  22  27.799  21.688  15.902
  157    HB2  GLU  22           HB2      GLU  22  28.686  19.707  14.730
  158    HB3  GLU  22           HB3      GLU  22  26.972  19.555  15.091
  159    HG2  GLU  22           HG2      GLU  22  26.446  20.184  12.776
  160    HG3  GLU  22           HG3      GLU  22  28.171  20.272  12.425
  161    H    GLN  23           H        GLN  23  27.464  22.791  12.629
  162    HA   GLN  23           HA       GLN  23  30.299  23.132  12.207
  163    HB2  GLN  23           HB2      GLN  23  27.950  23.135  10.586
  164    HB3  GLN  23           HB3      GLN  23  28.788  24.663  10.345
  165    HG2  GLN  23           HG2      GLN  23  30.830  23.475   9.777
  166    HG3  GLN  23           HG3      GLN  23  30.022  21.933  10.059
  167   HE21  GLN  23          HE21      GLN  23  29.051  20.988   8.402
  168   HE22  GLN  23          HE22      GLN  23  28.701  21.731   6.882
  169    H    ASP  24           H        ASP  24  27.604  25.046  13.306
  170    HA   ASP  24           HA       ASP  24  28.949  27.571  13.051
  171    HB2  ASP  24           HB2      ASP  24  26.406  27.132  13.082
  172    HB3  ASP  24           HB3      ASP  24  26.580  27.053  14.833
  173    H    LEU  25           H        LEU  25  28.750  25.072  15.436
  174    HA   LEU  25           HA       LEU  25  29.691  26.726  17.607
  175    HB2  LEU  25           HB2      LEU  25  28.641  24.056  17.273
  176    HB3  LEU  25           HB3      LEU  25  30.080  24.050  18.291
  177    HG   LEU  25           HG       LEU  25  28.130  24.190  19.683
  178   HD11  LEU  25          HD11      LEU  25  30.178  25.547  20.231
  179   HD12  LEU  25          HD12      LEU  25  28.680  26.088  20.987
  180   HD13  LEU  25          HD13      LEU  25  29.323  26.950  19.589
  181   HD21  LEU  25          HD21      LEU  25  26.396  25.714  19.445
  182   HD22  LEU  25          HD22      LEU  25  26.760  25.267  17.777
  183   HD23  LEU  25          HD23      LEU  25  27.351  26.796  18.431
  184    H    ARG  26           H        ARG  26  31.062  24.726  15.136
  185    HA   ARG  26           HA       ARG  26  33.659  24.608  16.445
  186    HB2  ARG  26           HB2      ARG  26  34.323  23.130  14.722
  187    HB3  ARG  26           HB3      ARG  26  32.665  22.691  15.109
  188    HG2  ARG  26           HG2      ARG  26  31.869  23.909  13.160
  189    HG3  ARG  26           HG3      ARG  26  33.522  24.399  12.782
  190    HD2  ARG  26           HD2      ARG  26  33.139  22.569  11.384
  191    HD3  ARG  26           HD3      ARG  26  34.050  21.893  12.734
  192    HE   ARG  26           HE       ARG  26  31.244  21.693  13.161
  193   HH11  ARG  26          HH12      ARG  26  33.908  20.260  11.437
  194   HH12  ARG  26          HH11      ARG  26  33.171  18.695  11.337
  195   HH21  ARG  26          HH22      ARG  26  30.264  19.637  13.035
  196   HH22  ARG  26          HH21      ARG  26  31.098  18.342  12.246
  197    H    ASP  27           H        ASP  27  32.032  26.304  13.856
  198    HA   ASP  27           HA       ASP  27  34.169  27.365  12.457
  199    HB2  ASP  27           HB2      ASP  27  31.968  27.717  11.617
  200    HB3  ASP  27           HB3      ASP  27  31.460  28.529  13.095
  201    H    ILE  28           H        ILE  28  32.565  28.693  15.340
  202    HA   ILE  28           HA       ILE  28  34.050  31.022  15.610
  203    HB   ILE  28           HB       ILE  28  33.015  29.313  17.875
  204   HG12  ILE  28          HG12      ILE  28  31.232  29.761  16.280
  205   HG13  ILE  28          HG13      ILE  28  30.989  30.730  17.729
  206   HG21  ILE  28          HG21      ILE  28  34.008  32.118  17.671
  207   HG22  ILE  28          HG22      ILE  28  32.755  31.724  18.846
  208   HG23  ILE  28          HG23      ILE  28  34.314  30.903  18.912
  209   HD11  ILE  28          HD11      ILE  28  31.932  31.621  15.028
  210   HD12  ILE  28          HD12      ILE  28  30.517  32.153  15.935
  211   HD13  ILE  28          HD13      ILE  28  32.132  32.613  16.471
  212    H    GLY  29           H        GLY  29  34.942  27.732  16.254
  213    HA2  GLY  29           HA2      GLY  29  37.244  28.446  17.865
  214    HA3  GLY  29           HA3      GLY  29  36.792  26.830  17.345
  215    H    ILE  30           H        ILE  30  36.555  27.791  14.521
  216    HA   ILE  30           HA       ILE  30  39.388  27.523  13.876
  217    HB   ILE  30           HB       ILE  30  37.050  27.489  11.969
  218   HG12  ILE  30          HG12      ILE  30  38.454  25.141  13.262
  219   HG13  ILE  30          HG13      ILE  30  36.854  25.725  13.707
  220   HG21  ILE  30          HG21      ILE  30  39.070  27.891  10.800
  221   HG22  ILE  30          HG22      ILE  30  39.936  26.674  11.736
  222   HG23  ILE  30          HG23      ILE  30  38.699  26.182  10.579
  223   HD11  ILE  30          HD11      ILE  30  36.202  24.105  12.293
  224   HD12  ILE  30          HD12      ILE  30  36.486  25.354  11.080
  225   HD13  ILE  30          HD13      ILE  30  37.717  24.130  11.391
  226    H    SER  31           H        SER  31  37.061  29.949  14.144
  227    HA   SER  31           HA       SER  31  38.538  31.713  12.307
  228    HB2  SER  31           HB2      SER  31  35.729  31.325  12.767
  229    HB3  SER  31           HB3      SER  31  36.161  32.988  13.168
  230    HG   SER  31           HG       SER  31  36.480  31.620  10.717
  231    H    ASP  32           H        ASP  32  38.429  30.911  15.461
  232    HA   ASP  32           HA       ASP  32  38.179  33.216  16.946
  233    HB2  ASP  32           HB2      ASP  32  39.540  30.644  17.267
  234    HB3  ASP  32           HB3      ASP  32  40.308  31.953  18.160
  235    HA   PRO  33           HA       PRO  33  41.460  35.927  15.883
  236    HB2  PRO  33           HB2      PRO  33  42.044  37.042  18.288
  237    HB3  PRO  33           HB3      PRO  33  40.568  37.414  17.390
  238    HG2  PRO  33           HG2      PRO  33  40.965  35.531  19.683
  239    HG3  PRO  33           HG3      PRO  33  39.647  36.682  19.396
  240    HD2  PRO  33           HD2      PRO  33  39.406  34.034  18.883
  241    HD3  PRO  33           HD3      PRO  33  38.567  35.273  17.927
  242    H    GLN  34           H        GLN  34  42.125  34.124  18.888
  243    HA   GLN  34           HA       GLN  34  44.878  34.374  18.937
  244    HB2  GLN  34           HB2      GLN  34  43.099  32.114  19.844
  245    HB3  GLN  34           HB3      GLN  34  44.830  32.145  20.154
  246    HG2  GLN  34           HG2      GLN  34  43.840  34.635  20.985
  247    HG3  GLN  34           HG3      GLN  34  42.708  33.422  21.581
  248   HE21  GLN  34          HE21      GLN  34  43.240  33.529  23.705
  249   HE22  GLN  34          HE22      GLN  34  44.782  33.071  24.336
  250    H    HIS  35           H        HIS  35  42.881  32.403  16.893
  251    HA   HIS  35           HA       HIS  35  44.616  30.423  16.069
  252    HB2  HIS  35           HB2      HIS  35  42.123  31.263  15.303
  253    HB3  HIS  35           HB3      HIS  35  43.082  31.633  13.873
  254    HD1  HIS  35           HD1      HIS  35  40.951  29.464  13.713
  255    HD2  HIS  35           HD2      HIS  35  44.920  28.716  14.689
  256    HE1  HIS  35           HE1      HIS  35  41.335  27.042  13.156
  257    H    ARG  36           H        ARG  36  44.387  33.765  14.925
  258    HA   ARG  36           HA       ARG  36  46.277  33.548  12.849
  259    HB2  ARG  36           HB2      ARG  36  44.749  35.629  14.111
  260    HB3  ARG  36           HB3      ARG  36  46.408  36.170  13.892
  261    HG2  ARG  36           HG2      ARG  36  46.138  35.320  11.477
  262    HG3  ARG  36           HG3      ARG  36  44.408  35.348  11.826
  263    HD2  ARG  36           HD2      ARG  36  45.267  37.788  12.757
  264    HD3  ARG  36           HD3      ARG  36  46.258  37.545  11.319
  265    HE   ARG  36           HE       ARG  36  43.583  36.945  10.707
  266   HH11  ARG  36          HH12      ARG  36  45.618  39.664  11.474
  267   HH12  ARG  36          HH11      ARG  36  44.660  40.799  10.582
  268   HH21  ARG  36          HH22      ARG  36  42.314  38.430   9.529
  269   HH22  ARG  36          HH21      ARG  36  42.780  40.096   9.476
  270    H    ARG  37           H        ARG  37  46.597  34.187  16.289
  271    HA   ARG  37           HA       ARG  37  49.363  34.905  16.167
  272    HB2  ARG  37           HB2      ARG  37  47.355  34.428  18.295
  273    HB3  ARG  37           HB3      ARG  37  49.039  34.197  18.743
  274    HG2  ARG  37           HG2      ARG  37  49.580  36.444  18.184
  275    HG3  ARG  37           HG3      ARG  37  48.002  36.698  17.436
  276    HD2  ARG  37           HD2      ARG  37  46.994  36.225  19.704
  277    HD3  ARG  37           HD3      ARG  37  48.631  36.313  20.354
  278    HE   ARG  37           HE       ARG  37  48.566  38.594  20.130
  279   HH11  ARG  37          HH12      ARG  37  45.938  37.182  18.335
  280   HH12  ARG  37          HH11      ARG  37  45.176  38.702  18.003
  281   HH21  ARG  37          HH22      ARG  37  47.573  40.601  19.699
  282   HH22  ARG  37          HH21      ARG  37  46.108  40.646  18.778
  283    H    LYS  38           H        LYS  38  47.567  31.935  16.613
  284    HA   LYS  38           HA       LYS  38  49.899  30.407  17.369
  285    HB2  LYS  38           HB2      LYS  38  47.076  30.042  17.460
  286    HB3  LYS  38           HB3      LYS  38  47.758  28.722  16.520
  287    HG2  LYS  38           HG2      LYS  38  49.302  28.230  18.370
  288    HG3  LYS  38           HG3      LYS  38  48.549  29.517  19.315
  289    HD2  LYS  38           HD2      LYS  38  46.765  27.445  18.163
  290    HD3  LYS  38           HD3      LYS  38  47.798  26.968  19.512
  291    HE2  LYS  38           HE2      LYS  38  46.042  29.411  19.578
  292    HE3  LYS  38           HE3      LYS  38  45.490  27.823  20.108
  293    HZ1  LYS  38           HZ1      LYS  38  47.952  28.336  21.326
  294    HZ2  LYS  38           HZ2      LYS  38  46.434  28.194  22.059
  295    HZ3  LYS  38           HZ3      LYS  38  46.985  29.708  21.542
  296    H    LEU  39           H        LEU  39  48.293  31.312  14.461
  297    HA   LEU  39           HA       LEU  39  49.523  29.194  12.893
  298    HB2  LEU  39           HB2      LEU  39  47.178  30.239  12.552
  299    HB3  LEU  39           HB3      LEU  39  48.055  31.543  11.755
  300    HG   LEU  39           HG       LEU  39  49.070  29.514  10.378
  301   HD11  LEU  39          HD11      LEU  39  46.301  28.478  10.782
  302   HD12  LEU  39          HD12      LEU  39  47.591  27.981  11.877
  303   HD13  LEU  39          HD13      LEU  39  47.728  27.658  10.148
  304   HD21  LEU  39          HD21      LEU  39  47.938  31.384   9.376
  305   HD22  LEU  39          HD22      LEU  39  46.373  30.789   9.933
  306   HD23  LEU  39          HD23      LEU  39  47.274  29.893   8.709
  307    H    LEU  40           H        LEU  40  50.125  32.457  13.806
  308    HA   LEU  40           HA       LEU  40  51.837  33.145  11.627
  309    HB2  LEU  40           HB2      LEU  40  50.713  34.833  12.989
  310    HB3  LEU  40           HB3      LEU  40  51.636  34.315  14.398
  311    HG   LEU  40           HG       LEU  40  53.694  35.104  13.359
  312   HD11  LEU  40          HD11      LEU  40  53.678  35.041  11.114
  313   HD12  LEU  40          HD12      LEU  40  53.047  36.681  11.260
  314   HD13  LEU  40          HD13      LEU  40  51.941  35.330  11.012
  315   HD21  LEU  40          HD21      LEU  40  52.786  36.760  14.690
  316   HD22  LEU  40          HD22      LEU  40  51.379  36.974  13.649
  317   HD23  LEU  40          HD23      LEU  40  52.954  37.585  13.141
  318    H    GLN  41           H        GLN  41  52.411  32.076  14.968
  319    HA   GLN  41           HA       GLN  41  55.242  32.046  14.728
  320    HB2  GLN  41           HB2      GLN  41  55.258  30.984  16.870
  321    HB3  GLN  41           HB3      GLN  41  53.971  32.182  16.885
  322    HG2  GLN  41           HG2      GLN  41  52.757  30.522  17.757
  323    HG3  GLN  41           HG3      GLN  41  52.605  29.996  16.081
  324   HE21  GLN  41          HE21      GLN  41  52.524  27.843  16.331
  325   HE22  GLN  41          HE22      GLN  41  53.774  26.889  17.046
  326    H    ALA  42           H        ALA  42  52.740  29.822  13.875
  327    HA   ALA  42           HA       ALA  42  54.541  27.556  13.663
  328    HB1  ALA  42           HB1      ALA  42  51.633  27.979  13.515
  329    HB2  ALA  42           HB2      ALA  42  52.272  26.709  12.470
  330    HB3  ALA  42           HB3      ALA  42  52.556  26.645  14.209
  331    H    ALA  43           H        ALA  43  53.141  30.002  11.620
  332    HA   ALA  43           HA       ALA  43  53.890  28.649   9.167
  333    HB1  ALA  43           HB1      ALA  43  52.697  31.370   9.678
  334    HB2  ALA  43           HB2      ALA  43  53.032  30.712   8.076
  335    HB3  ALA  43           HB3      ALA  43  51.856  29.920   9.126
  336    H    ARG  44           H        ARG  44  55.227  30.956  11.358
  337    HA   ARG  44           HA       ARG  44  57.034  32.227   9.578
  338    HB2  ARG  44           HB2      ARG  44  56.788  32.000  12.549
  339    HB3  ARG  44           HB3      ARG  44  58.283  32.623  11.864
  340    HG2  ARG  44           HG2      ARG  44  56.204  33.979  10.558
  341    HG3  ARG  44           HG3      ARG  44  55.783  33.951  12.271
  342    HD2  ARG  44           HD2      ARG  44  58.461  34.816  11.190
  343    HD3  ARG  44           HD3      ARG  44  57.145  35.923  11.581
  344    HE   ARG  44           HE       ARG  44  57.555  34.427  13.852
  345   HH11  ARG  44          HH12      ARG  44  59.453  36.558  11.858
  346   HH12  ARG  44          HH11      ARG  44  60.459  37.095  13.163
  347   HH21  ARG  44          HH22      ARG  44  58.872  35.126  15.578
  348   HH22  ARG  44          HH21      ARG  44  60.128  36.280  15.278
  349    HN1  NH2  45           HN1      NH2  45  57.179  29.307  11.552
  350    HN2  NH2  45           HN2      NH2  45  58.728  28.765  10.998
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1   3.761   3.676  -0.978
    2    H2   ACE   1           H2       ACE   1   2.476   4.776  -0.424
    3    H3   ACE   1           H3       ACE   1   2.931   4.733  -2.145
    4    H    SER   2           H        SER   2   2.933   6.806   0.066
    5    HA   SER   2           HA       SER   2   5.705   7.717  -0.353
    6    HB2  SER   2           HB2      SER   2   3.345   8.959  -1.149
    7    HB3  SER   2           HB3      SER   2   3.815   9.831   0.311
    8    HG   SER   2           HG       SER   2   4.742  10.310  -2.000
    9    H    LYS   3           H        LYS   3   3.120   7.244   1.921
   10    HA   LYS   3           HA       LYS   3   3.969   8.754   4.083
   11    HB2  LYS   3           HB2      LYS   3   2.089   6.683   3.615
   12    HB3  LYS   3           HB3      LYS   3   3.022   6.222   5.032
   13    HG2  LYS   3           HG2      LYS   3   2.542   8.577   5.896
   14    HG3  LYS   3           HG3      LYS   3   1.323   8.657   4.622
   15    HD2  LYS   3           HD2      LYS   3   1.413   6.379   6.577
   16    HD3  LYS   3           HD3      LYS   3   0.575   7.886   6.951
   17    HE2  LYS   3           HE2      LYS   3  -1.175   6.827   5.999
   18    HE3  LYS   3           HE3      LYS   3  -0.428   7.389   4.505
   19    HZ1  LYS   3           HZ1      LYS   3   0.380   4.798   5.630
   20    HZ2  LYS   3           HZ2      LYS   3   0.376   5.313   4.019
   21    HZ3  LYS   3           HZ3      LYS   3  -1.079   4.907   4.780
   22    H    LEU   4           H        LEU   4   5.023   5.543   3.046
   23    HA   LEU   4           HA       LEU   4   6.628   4.913   5.250
   24    HB2  LEU   4           HB2      LEU   4   7.815   3.395   3.691
   25    HB3  LEU   4           HB3      LEU   4   6.061   3.227   3.661
   26    HG   LEU   4           HG       LEU   4   7.018   5.071   1.631
   27   HD11  LEU   4          HD11      LEU   4   8.264   3.635   0.276
   28   HD12  LEU   4          HD12      LEU   4   7.842   2.215   1.233
   29   HD13  LEU   4          HD13      LEU   4   8.954   3.419   1.885
   30   HD21  LEU   4          HD21      LEU   4   5.233   2.688   1.842
   31   HD22  LEU   4          HD22      LEU   4   5.746   3.255   0.252
   32   HD23  LEU   4          HD23      LEU   4   4.858   4.334   1.329
   33    H    LEU   5           H        LEU   5   7.221   6.937   2.462
   34    HA   LEU   5           HA       LEU   5  10.048   7.181   2.959
   35    HB2  LEU   5           HB2      LEU   5   8.529   7.536   0.764
   36    HB3  LEU   5           HB3      LEU   5   8.670   9.206   1.310
   37    HG   LEU   5           HG       LEU   5  11.272   8.158   1.375
   38   HD11  LEU   5          HD11      LEU   5  11.070   6.394  -0.036
   39   HD12  LEU   5          HD12      LEU   5  11.251   7.669  -1.240
   40   HD13  LEU   5          HD13      LEU   5   9.647   7.054  -0.842
   41   HD21  LEU   5          HD21      LEU   5  11.730   9.866  -0.195
   42   HD22  LEU   5          HD22      LEU   5  10.415  10.468   0.815
   43   HD23  LEU   5          HD23      LEU   5  10.075   9.854  -0.804
   44    H    LEU   6           H        LEU   6   7.147   9.073   3.603
   45    HA   LEU   6           HA       LEU   6   8.332  11.449   4.451
   46    HB2  LEU   6           HB2      LEU   6   5.737  10.129   4.763
   47    HB3  LEU   6           HB3      LEU   6   6.144  11.237   6.072
   48    HG   LEU   6           HG       LEU   6   6.508  13.011   4.339
   49   HD11  LEU   6          HD11      LEU   6   6.255  10.808   2.590
   50   HD12  LEU   6          HD12      LEU   6   6.519  12.503   2.183
   51   HD13  LEU   6          HD13      LEU   6   4.877  11.871   2.302
   52   HD21  LEU   6          HD21      LEU   6   4.192  13.527   4.121
   53   HD22  LEU   6          HD22      LEU   6   4.412  12.723   5.676
   54   HD23  LEU   6          HD23      LEU   6   3.735  11.834   4.310
   55    H    ASN   7           H        ASN   7   7.639   8.476   6.233
   56    HA   ASN   7           HA       ASN   7   8.392   9.454   8.780
   57    HB2  ASN   7           HB2      ASN   7   7.967   6.743   7.590
   58    HB3  ASN   7           HB3      ASN   7   8.762   6.868   9.156
   59   HD21  ASN   7          HD21      ASN   7   7.203   6.075  10.443
   60   HD22  ASN   7          HD22      ASN   7   5.636   6.779  10.628
   61    H    GLY   8           H        GLY   8  10.187   8.226   6.071
   62    HA2  GLY   8           HA2      GLY   8  12.603   7.777   7.608
   63    HA3  GLY   8           HA3      GLY   8  12.426   7.617   5.867
   64    H    PHE   9           H        PHE   9  11.329  10.234   5.427
   65    HA   PHE   9           HA       PHE   9  13.749  11.695   5.178
   66    HB2  PHE   9           HB2      PHE   9  11.373  11.779   3.889
   67    HB3  PHE   9           HB3      PHE   9  11.195  13.173   4.950
   68    HD1  PHE   9           HD1      PHE   9  13.268  14.795   4.986
   69    HD2  PHE   9           HD2      PHE   9  12.366  12.073   1.841
   70    HE1  PHE   9           HE1      PHE   9  14.613  16.149   3.432
   71    HE2  PHE   9           HE2      PHE   9  13.710  13.422   0.283
   72    HZ   PHE   9           HZ       PHE   9  14.836  15.463   1.078
   73    H    ASP  10           H        ASP  10  11.251  11.581   7.574
   74    HA   ASP  10           HA       ASP  10  11.458  14.048   8.798
   75    HB2  ASP  10           HB2      ASP  10  10.080  11.795   9.345
   76    HB3  ASP  10           HB3      ASP  10  11.301  11.708  10.612
   77    H    ASP  11           H        ASP  11  13.435  11.152   9.375
   78    HA   ASP  11           HA       ASP  11  15.056  12.252  11.389
   79    HB2  ASP  11           HB2      ASP  11  14.980   9.858  11.027
   80    HB3  ASP  11           HB3      ASP  11  15.631  10.047   9.401
   81    H    VAL  12           H        VAL  12  15.180  12.467   7.909
   82    HA   VAL  12           HA       VAL  12  17.849  13.514   7.791
   83    HB   VAL  12           HB       VAL  12  15.684  13.689   5.692
   84   HG11  VAL  12          HG11      VAL  12  17.434  15.204   5.171
   85   HG12  VAL  12          HG12      VAL  12  18.674  14.024   5.598
   86   HG13  VAL  12          HG13      VAL  12  17.681  13.780   4.161
   87   HG21  VAL  12          HG21      VAL  12  17.342  11.711   4.861
   88   HG22  VAL  12          HG22      VAL  12  17.357  11.452   6.605
   89   HG23  VAL  12          HG23      VAL  12  15.828  11.443   5.726
   90    H    HIS  13           H        HIS  13  14.588  14.893   7.661
   91    HA   HIS  13           HA       HIS  13  15.244  17.533   7.097
   92    HB2  HIS  13           HB2      HIS  13  12.934  16.097   7.962
   93    HB3  HIS  13           HB3      HIS  13  13.092  17.540   8.960
   94    HD1  HIS  13           HD1      HIS  13  11.781  19.400   8.026
   95    HD2  HIS  13           HD2      HIS  13  13.362  16.991   5.034
   96    HE1  HIS  13           HE1      HIS  13  11.023  20.432   5.862
   97    H    PHE  14           H        PHE  14  15.638  15.713  10.015
   98    HA   PHE  14           HA       PHE  14  16.043  18.063  11.664
   99    HB2  PHE  14           HB2      PHE  14  14.969  16.039  12.597
  100    HB3  PHE  14           HB3      PHE  14  16.456  15.138  12.321
  101    HD1  PHE  14           HD2      PHE  14  15.900  18.553  13.696
  102    HD2  PHE  14           HD1      PHE  14  17.303  14.596  14.395
  103    HE1  PHE  14           HE2      PHE  14  16.722  19.239  15.911
  104    HE2  PHE  14           HE1      PHE  14  18.126  15.276  16.612
  105    HZ   PHE  14           HZ       PHE  14  17.837  17.600  17.372
  106    H    LEU  15           H        LEU  15  17.954  15.605  10.048
  107    HA   LEU  15           HA       LEU  15  20.424  16.027  11.256
  108    HB2  LEU  15           HB2      LEU  15  19.415  14.733   8.896
  109    HB3  LEU  15           HB3      LEU  15  20.931  15.558   8.536
  110    HG   LEU  15           HG       LEU  15  21.174  13.156   9.160
  111   HD11  LEU  15          HD11      LEU  15  23.187  13.513  10.174
  112   HD12  LEU  15          HD12      LEU  15  22.543  14.725  11.281
  113   HD13  LEU  15          HD13      LEU  15  22.848  15.144   9.596
  114   HD21  LEU  15          HD21      LEU  15  20.886  12.472  11.445
  115   HD22  LEU  15          HD22      LEU  15  19.366  13.150  10.862
  116   HD23  LEU  15          HD23      LEU  15  20.410  14.103  11.919
  117    H    GLY  16           H        GLY  16  19.016  17.626   8.406
  118    HA2  GLY  16           HA2      GLY  16  21.142  19.263   7.716
  119    HA3  GLY  16           HA3      GLY  16  19.452  19.675   7.467
  120    H    SER  17           H        SER  17  18.561  19.909  10.069
  121    HA   SER  17           HA       SER  17  19.503  22.512  10.726
  122    HB2  SER  17           HB2      SER  17  17.646  22.646  12.023
  123    HB3  SER  17           HB3      SER  17  17.182  21.162  11.190
  124    HG   SER  17           HG       SER  17  17.038  20.563  13.246
  125    H    ASN  18           H        ASN  18  20.611  19.419  11.499
  126    HA   ASN  18           HA       ASN  18  21.799  20.211  14.038
  127    HB2  ASN  18           HB2      ASN  18  20.884  17.785  13.038
  128    HB3  ASN  18           HB3      ASN  18  22.637  17.625  12.990
  129   HD21  ASN  18          HD21      ASN  18  19.949  17.231  14.857
  130   HD22  ASN  18          HD22      ASN  18  20.691  17.195  16.417
  131    H    VAL  19           H        VAL  19  22.845  19.117  10.823
  132    HA   VAL  19           HA       VAL  19  25.594  19.221  11.212
  133    HB   VAL  19           HB       VAL  19  24.165  19.950   8.654
  134   HG11  VAL  19          HG11      VAL  19  26.407  20.441   8.313
  135   HG12  VAL  19          HG12      VAL  19  26.957  19.105   9.326
  136   HG13  VAL  19          HG13      VAL  19  26.278  18.782   7.730
  137   HG21  VAL  19          HG21      VAL  19  23.390  17.872   8.559
  138   HG22  VAL  19          HG22      VAL  19  25.042  17.261   8.633
  139   HG23  VAL  19          HG23      VAL  19  24.125  17.505  10.120
  140    H    MET  20           H        MET  20  23.298  21.793  10.701
  141    HA   MET  20           HA       MET  20  25.287  23.787  10.112
  142    HB2  MET  20           HB2      MET  20  23.517  25.306   9.926
  143    HB3  MET  20           HB3      MET  20  22.819  23.784   9.388
  144    HG2  MET  20           HG2      MET  20  21.919  23.489  11.708
  145    HG3  MET  20           HG3      MET  20  22.446  25.136  12.044
  146    HE1  MET  20           HE1      MET  20  19.779  27.168  11.412
  147    HE2  MET  20           HE2      MET  20  19.208  25.807  12.377
  148    HE3  MET  20           HE3      MET  20  20.869  26.376  12.550
  149    H    GLU  21           H        GLU  21  23.561  22.649  12.944
  150    HA   GLU  21           HA       GLU  21  24.314  24.797  14.653
  151    HB2  GLU  21           HB2      GLU  21  22.405  23.509  15.271
  152    HB3  GLU  21           HB3      GLU  21  23.313  22.005  15.195
  153    HG2  GLU  21           HG2      GLU  21  23.921  22.183  17.314
  154    HG3  GLU  21           HG3      GLU  21  24.524  23.821  17.065
  155    H    GLU  22           H        GLU  22  25.741  21.705  13.810
  156    HA   GLU  22           HA       GLU  22  27.762  21.821  15.848
  157    HB2  GLU  22           HB2      GLU  22  28.713  19.863  14.716
  158    HB3  GLU  22           HB3      GLU  22  26.989  19.668  14.995
  159    HG2  GLU  22           HG2      GLU  22  26.572  20.327  12.652
  160    HG3  GLU  22           HG3      GLU  22  28.314  20.396  12.394
  161    H    GLN  23           H        GLN  23  27.426  22.917  12.572
  162    HA   GLN  23           HA       GLN  23  30.253  23.355  12.183
  163    HB2  GLN  23           HB2      GLN  23  27.927  23.276  10.533
  164    HB3  GLN  23           HB3      GLN  23  28.711  24.833  10.303
  165    HG2  GLN  23           HG2      GLN  23  30.800  23.723   9.756
  166    HG3  GLN  23           HG3      GLN  23  30.051  22.151  10.034
  167   HE21  GLN  23          HE21      GLN  23  28.112  21.690   8.684
  168   HE22  GLN  23          HE22      GLN  23  28.144  22.212   7.037
  169    H    ASP  24           H        ASP  24  27.484  25.171  13.257
  170    HA   ASP  24           HA       ASP  24  28.735  27.744  13.011
  171    HB2  ASP  24           HB2      ASP  24  26.210  27.210  13.031
  172    HB3  ASP  24           HB3      ASP  24  26.380  27.137  14.783
  173    H    LEU  25           H        LEU  25  28.619  25.239  15.395
  174    HA   LEU  25           HA       LEU  25  29.501  26.931  17.564
  175    HB2  LEU  25           HB2      LEU  25  28.433  24.298  17.272
  176    HB3  LEU  25           HB3      LEU  25  29.945  24.208  18.173
  177    HG   LEU  25           HG       LEU  25  29.052  25.824  19.799
  178   HD11  LEU  25          HD11      LEU  25  26.276  25.574  19.013
  179   HD12  LEU  25          HD12      LEU  25  27.233  26.428  17.803
  180   HD13  LEU  25          HD13      LEU  25  27.198  27.007  19.469
  181   HD21  LEU  25          HD21      LEU  25  28.819  23.488  20.298
  182   HD22  LEU  25          HD22      LEU  25  27.372  23.371  19.296
  183   HD23  LEU  25          HD23      LEU  25  27.340  24.316  20.785
  184    H    ARG  26           H        ARG  26  30.931  24.946  15.113
  185    HA   ARG  26           HA       ARG  26  33.527  24.916  16.432
  186    HB2  ARG  26           HB2      ARG  26  34.236  23.431  14.730
  187    HB3  ARG  26           HB3      ARG  26  32.594  22.947  15.132
  188    HG2  ARG  26           HG2      ARG  26  31.777  24.188  13.166
  189    HG3  ARG  26           HG3      ARG  26  33.447  24.577  12.749
  190    HD2  ARG  26           HD2      ARG  26  32.730  22.687  11.444
  191    HD3  ARG  26           HD3      ARG  26  33.933  22.154  12.618
  192    HE   ARG  26           HE       ARG  26  31.317  21.828  13.652
  193   HH11  ARG  26          HH12      ARG  26  33.561  20.455  11.372
  194   HH12  ARG  26          HH11      ARG  26  32.895  18.859  11.480
  195   HH21  ARG  26          HH22      ARG  26  30.432  19.732  13.803
  196   HH22  ARG  26          HH21      ARG  26  31.115  18.449  12.863
  197    H    ASP  27           H        ASP  27  31.860  26.518  13.809
  198    HA   ASP  27           HA       ASP  27  33.960  27.612  12.386
  199    HB2  ASP  27           HB2      ASP  27  31.576  27.817  11.751
  200    HB3  ASP  27           HB3      ASP  27  31.343  28.974  13.059
  201    H    ILE  28           H        ILE  28  32.348  28.955  15.258
  202    HA   ILE  28           HA       ILE  28  33.795  31.312  15.484
  203    HB   ILE  28           HB       ILE  28  32.798  29.623  17.780
  204   HG12  ILE  28          HG12      ILE  28  31.002  30.018  16.185
  205   HG13  ILE  28          HG13      ILE  28  30.749  31.005  17.620
  206   HG21  ILE  28          HG21      ILE  28  32.493  32.264  18.454
  207   HG22  ILE  28          HG22      ILE  28  33.802  31.212  18.988
  208   HG23  ILE  28          HG23      ILE  28  34.029  32.259  17.588
  209   HD11  ILE  28          HD11      ILE  28  32.174  32.682  16.001
  210   HD12  ILE  28          HD12      ILE  28  31.170  31.795  14.853
  211   HD13  ILE  28          HD13      ILE  28  30.420  32.672  16.186
  212    H    GLY  29           H        GLY  29  34.744  28.048  16.176
  213    HA2  GLY  29           HA2      GLY  29  37.057  28.848  17.742
  214    HA3  GLY  29           HA3      GLY  29  36.607  27.206  17.306
  215    H    ILE  30           H        ILE  30  36.316  28.076  14.442
  216    HA   ILE  30           HA       ILE  30  39.123  27.721  13.750
  217    HB   ILE  30           HB       ILE  30  36.696  27.711  11.952
  218   HG12  ILE  30          HG12      ILE  30  38.040  25.169  12.328
  219   HG13  ILE  30          HG13      ILE  30  37.473  25.819  13.862
  220   HG21  ILE  30          HG21      ILE  30  39.575  27.534  11.467
  221   HG22  ILE  30          HG22      ILE  30  38.636  26.248  10.712
  222   HG23  ILE  30          HG23      ILE  30  38.260  27.935  10.363
  223   HD11  ILE  30          HD11      ILE  30  35.503  24.938  13.368
  224   HD12  ILE  30          HD12      ILE  30  35.342  26.190  12.136
  225   HD13  ILE  30          HD13      ILE  30  35.990  24.607  11.706
  226    H    SER  31           H        SER  31  36.785  30.204  13.887
  227    HA   SER  31           HA       SER  31  38.373  31.909  12.091
  228    HB2  SER  31           HB2      SER  31  35.545  31.588  12.475
  229    HB3  SER  31           HB3      SER  31  36.000  33.249  12.856
  230    HG   SER  31           HG       SER  31  35.855  33.421  10.747
  231    H    ASP  32           H        ASP  32  38.172  31.169  15.251
  232    HA   ASP  32           HA       ASP  32  37.919  33.502  16.690
  233    HB2  ASP  32           HB2      ASP  32  39.234  30.917  17.088
  234    HB3  ASP  32           HB3      ASP  32  40.000  32.231  17.977
  235    HA   PRO  33           HA       PRO  33  41.262  36.149  15.656
  236    HB2  PRO  33           HB2      PRO  33  41.792  37.309  18.052
  237    HB3  PRO  33           HB3      PRO  33  40.347  37.680  17.104
  238    HG2  PRO  33           HG2      PRO  33  40.655  35.843  19.448
  239    HG3  PRO  33           HG3      PRO  33  39.361  37.004  19.099
  240    HD2  PRO  33           HD2      PRO  33  39.100  34.349  18.637
  241    HD3  PRO  33           HD3      PRO  33  38.305  35.576  17.630
  242    H    GLN  34           H        GLN  34  41.820  34.409  18.720
  243    HA   GLN  34           HA       GLN  34  44.571  34.625  18.844
  244    HB2  GLN  34           HB2      GLN  34  42.734  32.409  19.742
  245    HB3  GLN  34           HB3      GLN  34  44.457  32.413  20.096
  246    HG2  GLN  34           HG2      GLN  34  44.231  34.484  21.327
  247    HG3  GLN  34           HG3      GLN  34  42.518  34.562  20.918
  248   HE21  GLN  34          HE21      GLN  34  41.104  33.615  22.231
  249   HE22  GLN  34          HE22      GLN  34  41.506  32.567  23.543
  250    H    HIS  35           H        HIS  35  42.613  32.635  16.780
  251    HA   HIS  35           HA       HIS  35  44.347  30.620  16.045
  252    HB2  HIS  35           HB2      HIS  35  41.890  31.476  15.187
  253    HB3  HIS  35           HB3      HIS  35  42.898  31.808  13.781
  254    HD1  HIS  35           HD1      HIS  35  40.745  29.663  13.593
  255    HD2  HIS  35           HD2      HIS  35  44.672  28.884  14.706
  256    HE1  HIS  35           HE1      HIS  35  41.115  27.227  13.092
  257    H    ARG  36           H        ARG  36  44.167  33.926  14.778
  258    HA   ARG  36           HA       ARG  36  46.120  33.655  12.783
  259    HB2  ARG  36           HB2      ARG  36  44.607  35.788  13.991
  260    HB3  ARG  36           HB3      ARG  36  46.278  36.290  13.768
  261    HG2  ARG  36           HG2      ARG  36  46.174  35.872  11.427
  262    HG3  ARG  36           HG3      ARG  36  44.600  35.089  11.581
  263    HD2  ARG  36           HD2      ARG  36  44.110  37.232  10.780
  264    HD3  ARG  36           HD3      ARG  36  43.779  37.322  12.510
  265    HE   ARG  36           HE       ARG  36  45.463  38.854  12.712
  266   HH11  ARG  36          HH12      ARG  36  45.803  37.193   9.672
  267   HH12  ARG  36          HH11      ARG  36  47.077  38.220   9.104
  268   HH21  ARG  36          HH22      ARG  36  47.139  40.214  11.976
  269   HH22  ARG  36          HH21      ARG  36  47.837  39.938  10.416
  270    H    ARG  37           H        ARG  37  46.364  34.228  16.224
  271    HA   ARG  37           HA       ARG  37  49.141  34.947  16.169
  272    HB2  ARG  37           HB2      ARG  37  47.036  34.669  18.178
  273    HB3  ARG  37           HB3      ARG  37  48.606  34.119  18.748
  274    HG2  ARG  37           HG2      ARG  37  49.349  36.436  17.652
  275    HG3  ARG  37           HG3      ARG  37  47.679  36.837  18.060
  276    HD2  ARG  37           HD2      ARG  37  49.133  35.439  20.182
  277    HD3  ARG  37           HD3      ARG  37  49.809  37.013  19.763
  278    HE   ARG  37           HE       ARG  37  47.179  37.544  20.018
  279   HH11  ARG  37          HH12      ARG  37  49.471  35.904  22.061
  280   HH12  ARG  37          HH11      ARG  37  48.675  36.351  23.534
  281   HH21  ARG  37          HH22      ARG  37  46.123  38.140  21.950
  282   HH22  ARG  37          HH21      ARG  37  46.771  37.622  23.469
  283    H    LYS  38           H        LYS  38  47.295  32.001  16.597
  284    HA   LYS  38           HA       LYS  38  49.585  30.444  17.407
  285    HB2  LYS  38           HB2      LYS  38  46.905  30.130  17.754
  286    HB3  LYS  38           HB3      LYS  38  47.193  29.035  16.407
  287    HG2  LYS  38           HG2      LYS  38  48.845  27.829  17.693
  288    HG3  LYS  38           HG3      LYS  38  48.675  28.970  19.028
  289    HD2  LYS  38           HD2      LYS  38  46.315  27.438  17.989
  290    HD3  LYS  38           HD3      LYS  38  47.422  26.720  19.161
  291    HE2  LYS  38           HE2      LYS  38  46.478  29.436  19.797
  292    HE3  LYS  38           HE3      LYS  38  45.242  28.180  19.820
  293    HZ1  LYS  38           HZ1      LYS  38  47.739  28.287  21.414
  294    HZ2  LYS  38           HZ2      LYS  38  46.782  26.897  21.295
  295    HZ3  LYS  38           HZ3      LYS  38  46.146  28.306  21.983
  296    H    LEU  39           H        LEU  39  48.066  31.358  14.453
  297    HA   LEU  39           HA       LEU  39  49.326  29.229  12.924
  298    HB2  LEU  39           HB2      LEU  39  46.999  30.545  12.583
  299    HB3  LEU  39           HB3      LEU  39  48.047  31.493  11.530
  300    HG   LEU  39           HG       LEU  39  46.835  29.761  10.299
  301   HD11  LEU  39          HD11      LEU  39  48.604  29.137   8.969
  302   HD12  LEU  39          HD12      LEU  39  49.676  28.850  10.339
  303   HD13  LEU  39          HD13      LEU  39  49.294  30.500   9.849
  304   HD21  LEU  39          HD21      LEU  39  48.292  27.458  11.158
  305   HD22  LEU  39          HD22      LEU  39  46.548  27.716  11.107
  306   HD23  LEU  39          HD23      LEU  39  47.466  28.175  12.542
  307    H    LEU  40           H        LEU  40  49.920  32.489  13.846
  308    HA   LEU  40           HA       LEU  40  51.664  33.198  11.711
  309    HB2  LEU  40           HB2      LEU  40  50.657  34.393  14.118
  310    HB3  LEU  40           HB3      LEU  40  52.398  34.645  14.005
  311    HG   LEU  40           HG       LEU  40  51.085  36.516  13.078
  312   HD11  LEU  40          HD11      LEU  40  53.369  35.910  12.259
  313   HD12  LEU  40          HD12      LEU  40  52.380  36.798  11.100
  314   HD13  LEU  40          HD13      LEU  40  52.598  35.057  10.922
  315   HD21  LEU  40          HD21      LEU  40  49.324  36.169  11.777
  316   HD22  LEU  40          HD22      LEU  40  49.590  34.429  11.899
  317   HD23  LEU  40          HD23      LEU  40  50.335  35.346  10.588
  318    H    GLN  41           H        GLN  41  52.266  32.169  15.068
  319    HA   GLN  41           HA       GLN  41  55.082  32.044  14.775
  320    HB2  GLN  41           HB2      GLN  41  53.276  30.690  16.786
  321    HB3  GLN  41           HB3      GLN  41  55.027  30.793  16.910
  322    HG2  GLN  41           HG2      GLN  41  53.181  33.167  16.828
  323    HG3  GLN  41           HG3      GLN  41  53.823  32.443  18.301
  324   HE21  GLN  41          HE21      GLN  41  54.168  35.037  16.558
  325   HE22  GLN  41          HE22      GLN  41  55.872  35.306  16.648
  326    H    ALA  42           H        ALA  42  52.515  29.877  13.984
  327    HA   ALA  42           HA       ALA  42  54.218  27.542  13.821
  328    HB1  ALA  42           HB1      ALA  42  52.117  26.857  14.395
  329    HB2  ALA  42           HB2      ALA  42  51.325  28.093  13.415
  330    HB3  ALA  42           HB3      ALA  42  52.024  26.670  12.643
  331    H    ALA  43           H        ALA  43  52.798  29.910  11.646
  332    HA   ALA  43           HA       ALA  43  53.685  28.522   9.272
  333    HB1  ALA  43           HB1      ALA  43  51.603  29.864   9.317
  334    HB2  ALA  43           HB2      ALA  43  52.582  31.317   9.518
  335    HB3  ALA  43           HB3      ALA  43  52.723  30.356   8.046
  336    H    ARG  44           H        ARG  44  54.924  30.902  11.438
  337    HA   ARG  44           HA       ARG  44  56.828  32.037   9.617
  338    HB2  ARG  44           HB2      ARG  44  56.179  33.452  11.390
  339    HB3  ARG  44           HB3      ARG  44  56.431  32.196  12.595
  340    HG2  ARG  44           HG2      ARG  44  58.648  32.595  12.750
  341    HG3  ARG  44           HG3      ARG  44  58.803  33.013  11.042
  342    HD2  ARG  44           HD2      ARG  44  57.162  34.948  12.381
  343    HD3  ARG  44           HD3      ARG  44  58.687  34.755  13.245
  344    HE   ARG  44           HE       ARG  44  58.299  35.977  10.690
  345   HH11  ARG  44          HH12      ARG  44  60.564  34.213  12.660
  346   HH12  ARG  44          HH11      ARG  44  61.960  34.840  11.846
  347   HH21  ARG  44          HH22      ARG  44  60.129  36.808   9.610
  348   HH22  ARG  44          HH21      ARG  44  61.711  36.316  10.112
  349    HN1  NH2  45           HN1      NH2  45  56.716  29.294  11.756
  350    HN2  NH2  45           HN2      NH2  45  58.354  28.775  11.539
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1   5.470  11.226  -2.903
    2    H2   ACE   1           H2       ACE   1   6.413  11.081  -1.400
    3    H3   ACE   1           H3       ACE   1   6.704   9.953  -2.746
    4    H    SER   2           H        SER   2   6.284   8.862  -0.400
    5    HA   SER   2           HA       SER   2   3.485   7.941  -0.483
    6    HB2  SER   2           HB2      SER   2   5.619   6.117   0.520
    7    HB3  SER   2           HB3      SER   2   4.126   5.738  -0.339
    8    HG   SER   2           HG       SER   2   5.531   5.475  -1.918
    9    H    LYS   3           H        LYS   3   3.272   6.450   1.703
   10    HA   LYS   3           HA       LYS   3   3.407   8.403   3.828
   11    HB2  LYS   3           HB2      LYS   3   1.565   6.544   3.226
   12    HB3  LYS   3           HB3      LYS   3   2.518   5.624   4.383
   13    HG2  LYS   3           HG2      LYS   3   2.254   7.671   5.914
   14    HG3  LYS   3           HG3      LYS   3   0.957   8.141   4.812
   15    HD2  LYS   3           HD2      LYS   3   0.142   5.686   5.195
   16    HD3  LYS   3           HD3      LYS   3   1.131   5.794   6.653
   17    HE2  LYS   3           HE2      LYS   3  -0.840   7.948   6.003
   18    HE3  LYS   3           HE3      LYS   3  -1.383   6.446   6.750
   19    HZ1  LYS   3           HZ1      LYS   3  -0.939   8.005   8.468
   20    HZ2  LYS   3           HZ2      LYS   3   0.585   8.379   7.839
   21    HZ3  LYS   3           HZ3      LYS   3   0.300   6.854   8.513
   22    H    LEU   4           H        LEU   4   5.038   5.455   2.908
   23    HA   LEU   4           HA       LEU   4   6.354   5.088   5.432
   24    HB2  LEU   4           HB2      LEU   4   7.580   3.333   4.340
   25    HB3  LEU   4           HB3      LEU   4   5.877   3.225   3.898
   26    HG   LEU   4           HG       LEU   4   6.861   4.684   1.828
   27   HD11  LEU   4          HD11      LEU   4   9.167   4.249   2.896
   28   HD12  LEU   4          HD12      LEU   4   8.970   3.987   1.163
   29   HD13  LEU   4          HD13      LEU   4   8.976   2.612   2.267
   30   HD21  LEU   4          HD21      LEU   4   5.552   2.378   2.110
   31   HD22  LEU   4          HD22      LEU   4   7.114   1.742   1.594
   32   HD23  LEU   4          HD23      LEU   4   6.250   2.894   0.575
   33    H    LEU   5           H        LEU   5   7.107   6.643   2.379
   34    HA   LEU   5           HA       LEU   5   9.869   7.057   2.892
   35    HB2  LEU   5           HB2      LEU   5   8.415   7.243   0.693
   36    HB3  LEU   5           HB3      LEU   5   8.325   8.935   1.177
   37    HG   LEU   5           HG       LEU   5  11.010   8.438   1.338
   38   HD11  LEU   5          HD11      LEU   5  11.739   7.146  -0.462
   39   HD12  LEU   5          HD12      LEU   5  10.141   7.113  -1.207
   40   HD13  LEU   5          HD13      LEU   5  10.448   6.184   0.259
   41   HD21  LEU   5          HD21      LEU   5   9.173   9.746  -0.557
   42   HD22  LEU   5          HD22      LEU   5  10.796   9.416  -1.165
   43   HD23  LEU   5          HD23      LEU   5  10.580  10.387   0.292
   44    H    LEU   6           H        LEU   6   6.969   8.724   3.816
   45    HA   LEU   6           HA       LEU   6   8.155  11.220   4.470
   46    HB2  LEU   6           HB2      LEU   6   5.689  10.680   4.101
   47    HB3  LEU   6           HB3      LEU   6   5.694  10.075   5.756
   48    HG   LEU   6           HG       LEU   6   6.775  12.768   5.553
   49   HD11  LEU   6          HD11      LEU   6   5.049  12.667   3.668
   50   HD12  LEU   6          HD12      LEU   6   4.878  13.946   4.871
   51   HD13  LEU   6          HD13      LEU   6   3.848  12.517   4.952
   52   HD21  LEU   6          HD21      LEU   6   5.794  11.268   7.517
   53   HD22  LEU   6          HD22      LEU   6   4.307  12.094   7.052
   54   HD23  LEU   6          HD23      LEU   6   5.718  13.030   7.548
   55    H    ASN   7           H        ASN   7   7.329   8.351   6.389
   56    HA   ASN   7           HA       ASN   7   8.022   9.283   8.905
   57    HB2  ASN   7           HB2      ASN   7   7.209   6.865   7.853
   58    HB3  ASN   7           HB3      ASN   7   8.828   6.506   8.445
   59   HD21  ASN   7          HD21      ASN   7   5.640   7.627   9.326
   60   HD22  ASN   7          HD22      ASN   7   5.787   7.313  11.019
   61    H    GLY   8           H        GLY   8  10.054   8.313   6.252
   62    HA2  GLY   8           HA2      GLY   8  12.441   8.328   7.947
   63    HA3  GLY   8           HA3      GLY   8  12.370   7.833   6.262
   64    H    PHE   9           H        PHE   9  10.954  10.163   5.336
   65    HA   PHE   9           HA       PHE   9  13.188  11.878   4.906
   66    HB2  PHE   9           HB2      PHE   9  11.410  11.481   3.214
   67    HB3  PHE   9           HB3      PHE   9  10.279  12.364   4.235
   68    HD1  PHE   9           HD1      PHE   9  13.435  12.702   2.326
   69    HD2  PHE   9           HD2      PHE   9  10.131  14.693   4.126
   70    HE1  PHE   9           HE1      PHE   9  14.129  14.809   1.261
   71    HE2  PHE   9           HE2      PHE   9  10.819  16.803   3.063
   72    HZ   PHE   9           HZ       PHE   9  12.820  16.863   1.628
   73    H    ASP  10           H        ASP  10  10.798  11.710   7.315
   74    HA   ASP  10           HA       ASP  10  10.801  14.513   7.989
   75    HB2  ASP  10           HB2      ASP  10   8.947  12.702   8.413
   76    HB3  ASP  10           HB3      ASP  10   9.875  12.378   9.875
   77    H    ASP  11           H        ASP  11  12.657  11.718   8.794
   78    HA   ASP  11           HA       ASP  11  13.813  12.957  11.162
   79    HB2  ASP  11           HB2      ASP  11  13.617  10.259  10.095
   80    HB3  ASP  11           HB3      ASP  11  15.259  10.642  10.605
   81    H    VAL  12           H        VAL  12  14.612  12.267   7.828
   82    HA   VAL  12           HA       VAL  12  17.398  12.881   8.070
   83    HB   VAL  12           HB       VAL  12  16.369  11.446   6.259
   84   HG11  VAL  12          HG11      VAL  12  15.110  12.305   4.573
   85   HG12  VAL  12          HG12      VAL  12  14.650  13.438   5.846
   86   HG13  VAL  12          HG13      VAL  12  15.875  13.892   4.660
   87   HG21  VAL  12          HG21      VAL  12  18.574  13.200   6.204
   88   HG22  VAL  12          HG22      VAL  12  18.347  11.713   5.282
   89   HG23  VAL  12          HG23      VAL  12  17.836  13.258   4.603
   90    H    HIS  13           H        HIS  13  14.497  14.706   7.518
   91    HA   HIS  13           HA       HIS  13  15.678  17.003   6.355
   92    HB2  HIS  13           HB2      HIS  13  13.107  16.176   6.837
   93    HB3  HIS  13           HB3      HIS  13  13.298  17.474   8.012
   94    HD1  HIS  13           HD1      HIS  13  12.929  19.774   7.155
   95    HD2  HIS  13           HD2      HIS  13  13.724  17.079   4.095
   96    HE1  HIS  13           HE1      HIS  13  12.620  21.069   5.021
   97    H    PHE  14           H        PHE  14  15.475  15.825   9.596
   98    HA   PHE  14           HA       PHE  14  16.000  18.362  10.849
   99    HB2  PHE  14           HB2      PHE  14  14.762  16.757  12.128
  100    HB3  PHE  14           HB3      PHE  14  15.999  15.527  11.888
  101    HD1  PHE  14           HD2      PHE  14  15.874  19.040  13.153
  102    HD2  PHE  14           HD1      PHE  14  17.240  15.053  13.746
  103    HE1  PHE  14           HE2      PHE  14  16.957  19.727  15.253
  104    HE2  PHE  14           HE1      PHE  14  18.324  15.733  15.847
  105    HZ   PHE  14           HZ       PHE  14  18.184  18.073  16.603
  106    H    LEU  15           H        LEU  15  17.863  15.571   9.818
  107    HA   LEU  15           HA       LEU  15  20.264  16.050  11.123
  108    HB2  LEU  15           HB2      LEU  15  19.373  14.245   9.288
  109    HB3  LEU  15           HB3      LEU  15  20.529  15.173   8.335
  110    HG   LEU  15           HG       LEU  15  21.530  13.155   9.299
  111   HD11  LEU  15          HD11      LEU  15  22.692  15.501   9.054
  112   HD12  LEU  15          HD12      LEU  15  23.526  14.144   9.810
  113   HD13  LEU  15          HD13      LEU  15  22.781  15.390  10.812
  114   HD21  LEU  15          HD21      LEU  15  21.748  12.803  11.623
  115   HD22  LEU  15          HD22      LEU  15  20.050  13.197  11.351
  116   HD23  LEU  15          HD23      LEU  15  21.147  14.417  12.002
  117    H    GLY  16           H        GLY  16  19.162  17.283   7.972
  118    HA2  GLY  16           HA2      GLY  16  21.420  18.679   7.202
  119    HA3  GLY  16           HA3      GLY  16  19.778  19.161   6.801
  120    H    SER  17           H        SER  17  18.749  19.858   9.234
  121    HA   SER  17           HA       SER  17  19.946  22.423   9.627
  122    HB2  SER  17           HB2      SER  17  17.422  21.425   9.969
  123    HB3  SER  17           HB3      SER  17  17.984  21.536  11.636
  124    HG   SER  17           HG       SER  17  17.019  23.475  10.261
  125    H    ASN  18           H        ASN  18  20.559  19.376  10.911
  126    HA   ASN  18           HA       ASN  18  21.482  20.340  13.495
  127    HB2  ASN  18           HB2      ASN  18  20.442  18.218  13.620
  128    HB3  ASN  18           HB3      ASN  18  21.329  17.611  12.225
  129   HD21  ASN  18          HD21      ASN  18  23.529  17.080  12.463
  130   HD22  ASN  18          HD22      ASN  18  24.201  16.729  14.016
  131    H    VAL  19           H        VAL  19  22.826  18.967  10.519
  132    HA   VAL  19           HA       VAL  19  25.499  18.808  11.276
  133    HB   VAL  19           HB       VAL  19  24.519  19.557   8.520
  134   HG11  VAL  19          HG11      VAL  19  26.546  18.389   7.775
  135   HG12  VAL  19          HG12      VAL  19  26.924  19.764   8.815
  136   HG13  VAL  19          HG13      VAL  19  27.002  18.123   9.457
  137   HG21  VAL  19          HG21      VAL  19  24.091  17.153  10.064
  138   HG22  VAL  19          HG22      VAL  19  23.433  17.612   8.494
  139   HG23  VAL  19          HG23      VAL  19  25.004  16.817   8.594
  140    H    MET  20           H        MET  20  23.578  21.564  10.320
  141    HA   MET  20           HA       MET  20  25.821  23.319   9.948
  142    HB2  MET  20           HB2      MET  20  24.273  24.967   9.412
  143    HB3  MET  20           HB3      MET  20  23.440  23.496   8.929
  144    HG2  MET  20           HG2      MET  20  22.388  23.572  11.271
  145    HG3  MET  20           HG3      MET  20  22.944  25.243  11.305
  146    HE1  MET  20           HE1      MET  20  21.325  27.254  10.212
  147    HE2  MET  20           HE2      MET  20  22.651  26.725   9.176
  148    HE3  MET  20           HE3      MET  20  21.040  26.961   8.496
  149    H    GLU  21           H        GLU  21  23.654  22.480  12.567
  150    HA   GLU  21           HA       GLU  21  24.385  24.640  14.277
  151    HB2  GLU  21           HB2      GLU  21  22.295  23.584  14.696
  152    HB3  GLU  21           HB3      GLU  21  23.035  21.991  14.771
  153    HG2  GLU  21           HG2      GLU  21  23.482  22.190  16.937
  154    HG3  GLU  21           HG3      GLU  21  24.151  23.808  16.733
  155    H    GLU  22           H        GLU  22  25.650  21.441  13.672
  156    HA   GLU  22           HA       GLU  22  27.380  21.455  15.980
  157    HB2  GLU  22           HB2      GLU  22  28.280  19.363  15.031
  158    HB3  GLU  22           HB3      GLU  22  26.527  19.334  15.162
  159    HG2  GLU  22           HG2      GLU  22  26.343  19.845  12.777
  160    HG3  GLU  22           HG3      GLU  22  28.101  19.854  12.650
  161    H    GLN  23           H        GLN  23  27.561  22.380  12.637
  162    HA   GLN  23           HA       GLN  23  30.458  22.621  12.698
  163    HB2  GLN  23           HB2      GLN  23  28.484  22.327  10.665
  164    HB3  GLN  23           HB3      GLN  23  29.346  23.832  10.373
  165    HG2  GLN  23           HG2      GLN  23  31.309  22.787   9.919
  166    HG3  GLN  23           HG3      GLN  23  30.963  21.430  10.990
  167   HE21  GLN  23          HE21      GLN  23  29.072  22.788   8.329
  168   HE22  GLN  23          HE22      GLN  23  29.038  21.344   7.382
  169    H    ASP  24           H        ASP  24  27.698  24.537  13.311
  170    HA   ASP  24           HA       ASP  24  28.982  27.072  12.787
  171    HB2  ASP  24           HB2      ASP  24  26.541  26.776  12.487
  172    HB3  ASP  24           HB3      ASP  24  26.381  26.484  14.216
  173    H    LEU  25           H        LEU  25  28.470  24.942  15.493
  174    HA   LEU  25           HA       LEU  25  29.216  26.904  17.471
  175    HB2  LEU  25           HB2      LEU  25  28.803  25.270  19.066
  176    HB3  LEU  25           HB3      LEU  25  27.654  24.898  17.783
  177    HG   LEU  25           HG       LEU  25  29.625  23.266  17.038
  178   HD11  LEU  25          HD11      LEU  25  29.895  22.843  19.943
  179   HD12  LEU  25          HD12      LEU  25  30.772  24.218  19.272
  180   HD13  LEU  25          HD13      LEU  25  31.060  22.596  18.642
  181   HD21  LEU  25          HD21      LEU  25  27.152  22.907  17.866
  182   HD22  LEU  25          HD22      LEU  25  27.962  22.319  19.319
  183   HD23  LEU  25          HD23      LEU  25  28.284  21.558  17.760
  184    H    ARG  26           H        ARG  26  30.805  24.560  15.491
  185    HA   ARG  26           HA       ARG  26  33.234  24.606  17.097
  186    HB2  ARG  26           HB2      ARG  26  34.087  22.954  15.555
  187    HB3  ARG  26           HB3      ARG  26  32.461  22.496  16.044
  188    HG2  ARG  26           HG2      ARG  26  32.286  22.119  13.817
  189    HG3  ARG  26           HG3      ARG  26  31.826  23.823  13.842
  190    HD2  ARG  26           HD2      ARG  26  33.584  24.385  12.601
  191    HD3  ARG  26           HD3      ARG  26  34.688  23.538  13.684
  192    HE   ARG  26           HE       ARG  26  33.610  22.571  11.192
  193   HH11  ARG  26          HH12      ARG  26  35.054  21.706  14.240
  194   HH12  ARG  26          HH11      ARG  26  35.649  20.181  13.674
  195   HH21  ARG  26          HH22      ARG  26  34.388  20.564  10.436
  196   HH22  ARG  26          HH21      ARG  26  35.270  19.532  11.510
  197    H    ASP  27           H        ASP  27  31.963  25.898  14.101
  198    HA   ASP  27           HA       ASP  27  34.313  26.754  12.882
  199    HB2  ASP  27           HB2      ASP  27  31.467  27.350  12.661
  200    HB3  ASP  27           HB3      ASP  27  32.475  28.749  12.301
  201    H    ILE  28           H        ILE  28  32.351  28.314  15.372
  202    HA   ILE  28           HA       ILE  28  33.567  30.804  15.448
  203    HB   ILE  28           HB       ILE  28  32.514  29.219  17.794
  204   HG12  ILE  28          HG12      ILE  28  30.876  29.531  15.965
  205   HG13  ILE  28          HG13      ILE  28  30.424  30.412  17.420
  206   HG21  ILE  28          HG21      ILE  28  33.706  30.943  18.776
  207   HG22  ILE  28          HG22      ILE  28  33.347  32.072  17.471
  208   HG23  ILE  28          HG23      ILE  28  32.091  31.635  18.629
  209   HD11  ILE  28          HD11      ILE  28  30.273  32.267  16.236
  210   HD12  ILE  28          HD12      ILE  28  31.980  32.141  15.810
  211   HD13  ILE  28          HD13      ILE  28  30.758  31.389  14.786
  212    H    GLY  29           H        GLY  29  34.750  27.727  16.535
  213    HA2  GLY  29           HA2      GLY  29  36.896  28.921  18.100
  214    HA3  GLY  29           HA3      GLY  29  36.588  27.203  17.892
  215    H    ILE  30           H        ILE  30  36.383  27.714  14.905
  216    HA   ILE  30           HA       ILE  30  39.244  27.446  14.398
  217    HB   ILE  30           HB       ILE  30  36.994  27.074  12.424
  218   HG12  ILE  30          HG12      ILE  30  38.340  24.990  14.157
  219   HG13  ILE  30          HG13      ILE  30  36.698  25.586  14.376
  220   HG21  ILE  30          HG21      ILE  30  39.217  25.405  11.922
  221   HG22  ILE  30          HG22      ILE  30  38.629  26.761  10.960
  222   HG23  ILE  30          HG23      ILE  30  39.835  27.030  12.218
  223   HD11  ILE  30          HD11      ILE  30  36.671  23.448  13.268
  224   HD12  ILE  30          HD12      ILE  30  36.112  24.702  12.160
  225   HD13  ILE  30          HD13      ILE  30  37.746  24.054  12.008
  226    H    SER  31           H        SER  31  36.874  29.826  14.270
  227    HA   SER  31           HA       SER  31  38.352  31.344  12.225
  228    HB2  SER  31           HB2      SER  31  35.542  30.955  12.673
  229    HB3  SER  31           HB3      SER  31  35.927  32.668  12.843
  230    HG   SER  31           HG       SER  31  36.547  32.754  10.785
  231    H    ASP  32           H        ASP  32  38.171  30.999  15.461
  232    HA   ASP  32           HA       ASP  32  37.840  33.491  16.586
  233    HB2  ASP  32           HB2      ASP  32  39.023  30.992  17.362
  234    HB3  ASP  32           HB3      ASP  32  40.044  32.317  17.914
  235    HA   PRO  33           HA       PRO  33  41.116  36.076  15.234
  236    HB2  PRO  33           HB2      PRO  33  41.613  37.537  17.468
  237    HB3  PRO  33           HB3      PRO  33  40.160  37.750  16.484
  238    HG2  PRO  33           HG2      PRO  33  40.513  36.225  19.036
  239    HG3  PRO  33           HG3      PRO  33  39.190  37.300  18.549
  240    HD2  PRO  33           HD2      PRO  33  38.999  34.602  18.419
  241    HD3  PRO  33           HD3      PRO  33  38.172  35.675  17.270
  242    H    GLN  34           H        GLN  34  41.713  34.733  18.484
  243    HA   GLN  34           HA       GLN  34  44.460  35.036  18.573
  244    HB2  GLN  34           HB2      GLN  34  42.673  32.915  19.753
  245    HB3  GLN  34           HB3      GLN  34  44.397  32.990  20.090
  246    HG2  GLN  34           HG2      GLN  34  43.878  35.449  20.763
  247    HG3  GLN  34           HG3      GLN  34  42.224  34.857  20.910
  248   HE21  GLN  34          HE21      GLN  34  41.737  33.321  22.487
  249   HE22  GLN  34          HE22      GLN  34  42.784  33.024  23.828
  250    H    HIS  35           H        HIS  35  42.552  32.762  16.777
  251    HA   HIS  35           HA       HIS  35  44.334  30.711  16.298
  252    HB2  HIS  35           HB2      HIS  35  41.855  31.374  15.358
  253    HB3  HIS  35           HB3      HIS  35  42.843  31.583  13.915
  254    HD1  HIS  35           HD1      HIS  35  40.783  29.361  13.944
  255    HD2  HIS  35           HD2      HIS  35  44.714  28.839  15.185
  256    HE1  HIS  35           HE1      HIS  35  41.236  26.897  13.725
  257    H    ARG  36           H        ARG  36  43.997  33.756  14.489
  258    HA   ARG  36           HA       ARG  36  45.994  33.290  12.598
  259    HB2  ARG  36           HB2      ARG  36  45.918  35.613  12.123
  260    HB3  ARG  36           HB3      ARG  36  44.291  35.163  12.616
  261    HG2  ARG  36           HG2      ARG  36  44.405  36.927  13.970
  262    HG3  ARG  36           HG3      ARG  36  45.430  35.913  14.987
  263    HD2  ARG  36           HD2      ARG  36  46.857  37.653  14.768
  264    HD3  ARG  36           HD3      ARG  36  47.275  36.820  13.271
  265    HE   ARG  36           HE       ARG  36  46.429  38.596  12.122
  266   HH11  ARG  36          HH12      ARG  36  45.063  38.599  15.324
  267   HH12  ARG  36          HH11      ARG  36  44.228  40.102  15.107
  268   HH21  ARG  36          HH22      ARG  36  45.335  40.575  11.825
  269   HH22  ARG  36          HH21      ARG  36  44.383  41.225  13.116
  270    H    ARG  37           H        ARG  37  46.214  34.113  15.945
  271    HA   ARG  37           HA       ARG  37  48.953  35.027  15.789
  272    HB2  ARG  37           HB2      ARG  37  46.862  34.865  17.849
  273    HB3  ARG  37           HB3      ARG  37  48.488  34.557  18.445
  274    HG2  ARG  37           HG2      ARG  37  48.723  36.806  16.812
  275    HG3  ARG  37           HG3      ARG  37  47.236  37.045  17.733
  276    HD2  ARG  37           HD2      ARG  37  48.404  36.744  19.807
  277    HD3  ARG  37           HD3      ARG  37  49.879  36.280  18.961
  278    HE   ARG  37           HE       ARG  37  49.256  38.804  18.054
  279   HH11  ARG  37          HH12      ARG  37  49.967  37.320  21.122
  280   HH12  ARG  37          HH11      ARG  37  50.668  38.753  21.800
  281   HH21  ARG  37          HH22      ARG  37  50.175  40.696  18.936
  282   HH22  ARG  37          HH21      ARG  37  50.785  40.673  20.556
  283    H    LYS  38           H        LYS  38  47.224  32.084  16.555
  284    HA   LYS  38           HA       LYS  38  49.583  30.737  17.549
  285    HB2  LYS  38           HB2      LYS  38  46.707  30.170  17.374
  286    HB3  LYS  38           HB3      LYS  38  47.729  28.765  17.106
  287    HG2  LYS  38           HG2      LYS  38  48.612  28.834  19.239
  288    HG3  LYS  38           HG3      LYS  38  48.217  30.540  19.457
  289    HD2  LYS  38           HD2      LYS  38  46.075  28.459  19.148
  290    HD3  LYS  38           HD3      LYS  38  46.805  28.805  20.717
  291    HE2  LYS  38           HE2      LYS  38  46.231  31.249  20.245
  292    HE3  LYS  38           HE3      LYS  38  45.208  30.634  18.947
  293    HZ1  LYS  38           HZ1      LYS  38  44.648  30.784  21.698
  294    HZ2  LYS  38           HZ2      LYS  38  44.632  29.157  21.236
  295    HZ3  LYS  38           HZ3      LYS  38  43.637  30.271  20.443
  296    H    LEU  39           H        LEU  39  48.011  31.219  14.530
  297    HA   LEU  39           HA       LEU  39  49.304  28.938  13.270
  298    HB2  LEU  39           HB2      LEU  39  46.937  29.992  12.786
  299    HB3  LEU  39           HB3      LEU  39  47.872  31.043  11.725
  300    HG   LEU  39           HG       LEU  39  48.718  28.488  11.056
  301   HD11  LEU  39          HD11      LEU  39  45.828  28.501  11.819
  302   HD12  LEU  39          HD12      LEU  39  47.056  27.267  12.101
  303   HD13  LEU  39          HD13      LEU  39  46.394  27.499  10.482
  304   HD21  LEU  39          HD21      LEU  39  48.233  30.484   9.613
  305   HD22  LEU  39          HD22      LEU  39  46.527  30.043   9.695
  306   HD23  LEU  39          HD23      LEU  39  47.690  28.938   8.961
  307    H    LEU  40           H        LEU  40  49.820  32.308  13.748
  308    HA   LEU  40           HA       LEU  40  51.546  32.746  11.519
  309    HB2  LEU  40           HB2      LEU  40  50.517  34.651  12.443
  310    HB3  LEU  40           HB3      LEU  40  51.031  34.232  14.076
  311    HG   LEU  40           HG       LEU  40  53.380  34.716  13.385
  312   HD11  LEU  40          HD11      LEU  40  52.000  35.225  10.820
  313   HD12  LEU  40          HD12      LEU  40  53.627  34.625  11.137
  314   HD13  LEU  40          HD13      LEU  40  53.281  36.348  11.276
  315   HD21  LEU  40          HD21      LEU  40  52.934  36.646  14.381
  316   HD22  LEU  40          HD22      LEU  40  51.237  36.530  13.915
  317   HD23  LEU  40          HD23      LEU  40  52.399  37.300  12.833
  318    H    GLN  41           H        GLN  41  52.109  32.149  14.979
  319    HA   GLN  41           HA       GLN  41  54.941  32.141  14.764
  320    HB2  GLN  41           HB2      GLN  41  53.215  32.264  16.846
  321    HB3  GLN  41           HB3      GLN  41  53.702  30.577  16.945
  322    HG2  GLN  41           HG2      GLN  41  56.032  31.232  17.090
  323    HG3  GLN  41           HG3      GLN  41  55.581  32.928  16.922
  324   HE21  GLN  41          HE21      GLN  41  55.394  34.031  18.729
  325   HE22  GLN  41          HE22      GLN  41  55.099  33.374  20.299
  326    H    ALA  42           H        ALA  42  52.491  29.773  14.198
  327    HA   ALA  42           HA       ALA  42  54.324  27.530  14.320
  328    HB1  ALA  42           HB1      ALA  42  51.402  27.860  13.878
  329    HB2  ALA  42           HB2      ALA  42  52.182  26.393  13.285
  330    HB3  ALA  42           HB3      ALA  42  52.265  26.806  14.998
  331    H    ALA  43           H        ALA  43  52.910  29.638  11.925
  332    HA   ALA  43           HA       ALA  43  53.761  27.993   9.699
  333    HB1  ALA  43           HB1      ALA  43  51.695  29.237   9.493
  334    HB2  ALA  43           HB2      ALA  43  52.552  30.754   9.766
  335    HB3  ALA  43           HB3      ALA  43  52.866  29.815   8.307
  336    H    ARG  44           H        ARG  44  55.001  30.600  11.590
  337    HA   ARG  44           HA       ARG  44  56.833  31.655   9.698
  338    HB2  ARG  44           HB2      ARG  44  56.512  31.826  12.667
  339    HB3  ARG  44           HB3      ARG  44  58.013  32.383  11.939
  340    HG2  ARG  44           HG2      ARG  44  55.948  33.507  10.411
  341    HG3  ARG  44           HG3      ARG  44  55.477  33.698  12.101
  342    HD2  ARG  44           HD2      ARG  44  57.423  34.905  12.619
  343    HD3  ARG  44           HD3      ARG  44  58.231  34.400  11.136
  344    HE   ARG  44           HE       ARG  44  56.446  36.616  11.460
  345   HH11  ARG  44          HH12      ARG  44  57.675  34.270   9.200
  346   HH12  ARG  44          HH11      ARG  44  57.359  35.252   7.808
  347   HH21  ARG  44          HH22      ARG  44  56.026  37.918   9.635
  348   HH22  ARG  44          HH21      ARG  44  56.422  37.328   8.057
  349    HN1  NH2  45           HN1      NH2  45  56.973  29.032  12.052
  350    HN2  NH2  45           HN2      NH2  45  58.546  28.452  11.615
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1   0.106   0.809   1.815
    2    H2   ACE   1           H2       ACE   1   1.841   0.539   1.520
    3    H3   ACE   1           H3       ACE   1   1.233   0.681   3.187
    4    H    SER   2           H        SER   2   0.129   2.630   0.530
    5    HA   SER   2           HA       SER   2   0.212   4.864   0.111
    6    HB2  SER   2           HB2      SER   2  -0.350   6.134   1.890
    7    HB3  SER   2           HB3      SER   2  -0.281   4.631   2.810
    8    HG   SER   2           HG       SER   2   1.040   6.032   3.863
    9    H    LYS   3           H        LYS   3   1.695   6.849   0.255
   10    HA   LYS   3           HA       LYS   3   4.161   6.266  -0.837
   11    HB2  LYS   3           HB2      LYS   3   2.721   8.564  -0.320
   12    HB3  LYS   3           HB3      LYS   3   4.159   8.772   0.672
   13    HG2  LYS   3           HG2      LYS   3   5.455   8.147  -1.465
   14    HG3  LYS   3           HG3      LYS   3   3.942   8.511  -2.299
   15    HD2  LYS   3           HD2      LYS   3   5.196  10.440  -0.366
   16    HD3  LYS   3           HD3      LYS   3   5.649  10.401  -2.071
   17    HE2  LYS   3           HE2      LYS   3   2.974  10.460  -2.309
   18    HE3  LYS   3           HE3      LYS   3   3.155  11.324  -0.783
   19    HZ1  LYS   3           HZ1      LYS   3   4.873  12.097  -3.025
   20    HZ2  LYS   3           HZ2      LYS   3   4.236  13.046  -1.778
   21    HZ3  LYS   3           HZ3      LYS   3   3.249  12.572  -3.068
   22    H    LEU   4           H        LEU   4   3.397   7.069   2.536
   23    HA   LEU   4           HA       LEU   4   4.615   6.907   4.457
   24    HB2  LEU   4           HB2      LEU   4   4.250   4.517   3.782
   25    HB3  LEU   4           HB3      LEU   4   5.869   4.537   3.086
   26    HG   LEU   4           HG       LEU   4   6.311   5.389   5.660
   27   HD11  LEU   4          HD11      LEU   4   5.097   4.048   7.164
   28   HD12  LEU   4          HD12      LEU   4   4.380   3.096   5.865
   29   HD13  LEU   4          HD13      LEU   4   3.890   4.773   6.102
   30   HD21  LEU   4          HD21      LEU   4   6.768   3.016   4.041
   31   HD22  LEU   4          HD22      LEU   4   6.693   2.662   5.767
   32   HD23  LEU   4          HD23      LEU   4   7.847   3.851   5.159
   33    H    LEU   5           H        LEU   5   5.727   8.640   2.496
   34    HA   LEU   5           HA       LEU   5   8.618   8.240   2.832
   35    HB2  LEU   5           HB2      LEU   5   6.934   9.618   0.819
   36    HB3  LEU   5           HB3      LEU   5   8.510  10.324   1.174
   37    HG   LEU   5           HG       LEU   5   8.088   7.479   0.267
   38   HD11  LEU   5          HD11      LEU   5   7.671   9.685  -1.274
   39   HD12  LEU   5          HD12      LEU   5   8.192   8.113  -1.877
   40   HD13  LEU   5          HD13      LEU   5   9.384   9.371  -1.551
   41   HD21  LEU   5          HD21      LEU   5  10.542   7.690  -0.242
   42   HD22  LEU   5          HD22      LEU   5  10.124   7.661   1.471
   43   HD23  LEU   5          HD23      LEU   5  10.529   9.189   0.687
   44    H    LEU   6           H        LEU   6   5.962  10.375   3.574
   45    HA   LEU   6           HA       LEU   6   7.455  12.612   4.428
   46    HB2  LEU   6           HB2      LEU   6   5.014  12.583   3.921
   47    HB3  LEU   6           HB3      LEU   6   4.759  11.716   5.434
   48    HG   LEU   6           HG       LEU   6   6.199  14.287   5.638
   49   HD11  LEU   6          HD11      LEU   6   3.328  14.082   4.778
   50   HD12  LEU   6          HD12      LEU   6   4.622  15.045   4.065
   51   HD13  LEU   6          HD13      LEU   6   3.964  15.482   5.642
   52   HD21  LEU   6          HD21      LEU   6   5.745  13.172   7.658
   53   HD22  LEU   6          HD22      LEU   6   4.086  12.810   7.182
   54   HD23  LEU   6          HD23      LEU   6   4.551  14.468   7.565
   55    H    ASN   7           H        ASN   7   6.521   9.632   6.005
   56    HA   ASN   7           HA       ASN   7   7.216  10.485   8.646
   57    HB2  ASN   7           HB2      ASN   7   6.491   7.876   7.371
   58    HB3  ASN   7           HB3      ASN   7   7.228   7.871   8.971
   59   HD21  ASN   7          HD21      ASN   7   4.580   9.294   7.115
   60   HD22  ASN   7          HD22      ASN   7   3.476   9.402   8.439
   61    H    GLY   8           H        GLY   8   8.916   9.072   5.961
   62    HA2  GLY   8           HA2      GLY   8  11.196   8.251   7.534
   63    HA3  GLY   8           HA3      GLY   8  11.069   8.221   5.782
   64    H    PHE   9           H        PHE   9  10.312  11.013   5.550
   65    HA   PHE   9           HA       PHE   9  12.923  12.139   5.437
   66    HB2  PHE   9           HB2      PHE   9  10.628  12.629   4.099
   67    HB3  PHE   9           HB3      PHE   9  10.588  13.952   5.259
   68    HD1  PHE   9           HD2      PHE   9  12.860  15.276   5.481
   69    HD2  PHE   9           HD1      PHE   9  11.710  12.955   2.104
   70    HE1  PHE   9           HE2      PHE   9  14.420  16.557   4.075
   71    HE2  PHE   9           HE1      PHE   9  13.270  14.232   0.692
   72    HZ   PHE   9           HZ       PHE   9  14.626  16.036   1.676
   73    H    ASP  10           H        ASP  10  10.358  12.198   7.764
   74    HA   ASP  10           HA       ASP  10  10.848  14.525   9.167
   75    HB2  ASP  10           HB2      ASP  10   9.021  12.803   9.575
   76    HB3  ASP  10           HB3      ASP  10  10.213  11.891  10.497
   77    H    ASP  11           H        ASP  11  12.263  11.322   9.849
   78    HA   ASP  11           HA       ASP  11  13.996  12.091  11.872
   79    HB2  ASP  11           HB2      ASP  11  13.500   9.756  10.406
   80    HB3  ASP  11           HB3      ASP  11  15.216  10.085  10.177
   81    H    VAL  12           H        VAL  12  14.248  12.545   8.438
   82    HA   VAL  12           HA       VAL  12  17.056  13.181   8.462
   83    HB   VAL  12           HB       VAL  12  15.001  13.709   6.311
   84   HG11  VAL  12          HG11      VAL  12  16.709  15.014   5.589
   85   HG12  VAL  12          HG12      VAL  12  17.925  14.123   6.507
   86   HG13  VAL  12          HG13      VAL  12  17.310  13.469   4.988
   87   HG21  VAL  12          HG21      VAL  12  16.212  11.269   7.223
   88   HG22  VAL  12          HG22      VAL  12  14.997  11.512   5.968
   89   HG23  VAL  12          HG23      VAL  12  16.711  11.616   5.567
   90    H    HIS  13           H        HIS  13  14.018  14.990   8.340
   91    HA   HIS  13           HA       HIS  13  15.025  17.545   7.919
   92    HB2  HIS  13           HB2      HIS  13  12.533  16.385   8.708
   93    HB3  HIS  13           HB3      HIS  13  12.867  17.762   9.753
   94    HD1  HIS  13           HD1      HIS  13  11.841  19.817   8.870
   95    HD2  HIS  13           HD2      HIS  13  13.089  17.294   5.814
   96    HE1  HIS  13           HE1      HIS  13  11.246  21.003   6.734
   97    H    PHE  14           H        PHE  14  15.123  15.551  10.748
   98    HA   PHE  14           HA       PHE  14  15.749  17.713  12.553
   99    HB2  PHE  14           HB2      PHE  14  14.551  15.750  13.383
  100    HB3  PHE  14           HB3      PHE  14  15.900  14.715  12.927
  101    HD1  PHE  14           HD1      PHE  14  15.772  17.993  14.696
  102    HD2  PHE  14           HD2      PHE  14  16.844  13.876  14.849
  103    HE1  PHE  14           HE1      PHE  14  16.781  18.342  16.913
  104    HE2  PHE  14           HE2      PHE  14  17.854  14.218  17.066
  105    HZ   PHE  14           HZ       PHE  14  17.823  16.453  18.101
  106    H    LEU  15           H        LEU  15  17.508  15.074  10.975
  107    HA   LEU  15           HA       LEU  15  20.000  15.437  12.144
  108    HB2  LEU  15           HB2      LEU  15  18.911  13.980   9.974
  109    HB3  LEU  15           HB3      LEU  15  20.353  14.807   9.387
  110    HG   LEU  15           HG       LEU  15  20.783  12.498  10.165
  111   HD11  LEU  15          HD11      LEU  15  22.375  14.591  10.374
  112   HD12  LEU  15          HD12      LEU  15  22.836  13.014  11.014
  113   HD13  LEU  15          HD13      LEU  15  22.203  14.253  12.097
  114   HD21  LEU  15          HD21      LEU  15  20.121  11.722  12.148
  115   HD22  LEU  15          HD22      LEU  15  19.099  13.157  12.244
  116   HD23  LEU  15          HD23      LEU  15  20.695  13.158  12.996
  117    H    GLY  16           H        GLY  16  18.417  17.245   9.602
  118    HA2  GLY  16           HA2      GLY  16  20.641  18.601   8.555
  119    HA3  GLY  16           HA3      GLY  16  18.985  19.190   8.525
  120    H    SER  17           H        SER  17  18.391  19.601  11.128
  121    HA   SER  17           HA       SER  17  19.688  22.047  11.675
  122    HB2  SER  17           HB2      SER  17  17.630  20.373  13.018
  123    HB3  SER  17           HB3      SER  17  18.470  21.559  14.017
  124    HG   SER  17           HG       SER  17  16.714  21.939  11.890
  125    H    ASN  18           H        ASN  18  20.559  18.844  12.361
  126    HA   ASN  18           HA       ASN  18  22.179  19.533  14.682
  127    HB2  ASN  18           HB2      ASN  18  20.878  17.208  13.880
  128    HB3  ASN  18           HB3      ASN  18  22.582  16.858  13.607
  129   HD21  ASN  18          HD21      ASN  18  20.160  16.701  15.805
  130   HD22  ASN  18          HD22      ASN  18  21.089  16.640  17.261
  131    H    VAL  19           H        VAL  19  22.626  18.308  11.378
  132    HA   VAL  19           HA       VAL  19  25.398  18.101  11.373
  133    HB   VAL  19           HB       VAL  19  23.632  18.912   9.059
  134   HG11  VAL  19          HG11      VAL  19  26.419  17.763   9.135
  135   HG12  VAL  19          HG12      VAL  19  25.439  17.928   7.677
  136   HG13  VAL  19          HG13      VAL  19  25.947  19.364   8.567
  137   HG21  VAL  19          HG21      VAL  19  23.712  16.510  10.537
  138   HG22  VAL  19          HG22      VAL  19  22.844  16.835   9.037
  139   HG23  VAL  19          HG23      VAL  19  24.484  16.187   8.985
  140    H    MET  20           H        MET  20  23.350  20.912  11.128
  141    HA   MET  20           HA       MET  20  25.440  22.665  10.217
  142    HB2  MET  20           HB2      MET  20  23.839  24.362  10.225
  143    HB3  MET  20           HB3      MET  20  22.894  22.922   9.869
  144    HG2  MET  20           HG2      MET  20  22.364  22.800  12.325
  145    HG3  MET  20           HG3      MET  20  23.095  24.396  12.477
  146    HE1  MET  20           HE1      MET  20  20.793  26.841  11.087
  147    HE2  MET  20           HE2      MET  20  20.952  26.362  12.776
  148    HE3  MET  20           HE3      MET  20  22.373  26.395  11.731
  149    H    GLU  21           H        GLU  21  24.035  21.739  13.291
  150    HA   GLU  21           HA       GLU  21  25.265  23.806  14.821
  151    HB2  GLU  21           HB2      GLU  21  23.327  22.770  15.740
  152    HB3  GLU  21           HB3      GLU  21  24.019  21.164  15.566
  153    HG2  GLU  21           HG2      GLU  21  24.976  21.269  17.560
  154    HG3  GLU  21           HG3      GLU  21  25.692  22.841  17.208
  155    H    GLU  22           H        GLU  22  26.193  20.576  13.834
  156    HA   GLU  22           HA       GLU  22  28.476  20.448  15.577
  157    HB2  GLU  22           HB2      GLU  22  29.022  18.390  14.365
  158    HB3  GLU  22           HB3      GLU  22  27.338  18.403  14.871
  159    HG2  GLU  22           HG2      GLU  22  26.675  19.067  12.606
  160    HG3  GLU  22           HG3      GLU  22  28.364  19.008  12.106
  161    H    GLN  23           H        GLN  23  27.816  21.568  12.357
  162    HA   GLN  23           HA       GLN  23  30.644  21.767  11.692
  163    HB2  GLN  23           HB2      GLN  23  28.339  21.397  10.180
  164    HB3  GLN  23           HB3      GLN  23  28.811  23.056   9.837
  165    HG2  GLN  23           HG2      GLN  23  31.162  22.052   9.451
  166    HG3  GLN  23           HG3      GLN  23  30.298  20.523   9.305
  167   HE21  GLN  23          HE21      GLN  23  28.330  20.678   7.817
  168   HE22  GLN  23          HE22      GLN  23  28.583  21.498   6.318
  169    H    ASP  24           H        ASP  24  28.168  23.669  13.064
  170    HA   ASP  24           HA       ASP  24  29.326  26.217  12.328
  171    HB2  ASP  24           HB2      ASP  24  26.890  25.992  12.604
  172    HB3  ASP  24           HB3      ASP  24  27.122  25.565  14.297
  173    H    LEU  25           H        LEU  25  29.448  23.978  14.990
  174    HA   LEU  25           HA       LEU  25  30.755  25.871  16.756
  175    HB2  LEU  25           HB2      LEU  25  30.866  23.989  18.324
  176    HB3  LEU  25           HB3      LEU  25  29.232  24.275  17.728
  177    HG   LEU  25           HG       LEU  25  29.823  22.376  16.034
  178   HD11  LEU  25          HD11      LEU  25  31.783  21.379  16.298
  179   HD12  LEU  25          HD12      LEU  25  31.318  20.911  17.933
  180   HD13  LEU  25          HD13      LEU  25  32.160  22.436  17.659
  181   HD21  LEU  25          HD21      LEU  25  28.111  22.341  17.851
  182   HD22  LEU  25          HD22      LEU  25  29.346  21.694  18.931
  183   HD23  LEU  25          HD23      LEU  25  28.843  20.773  17.512
  184    H    ARG  26           H        ARG  26  31.621  23.465  14.446
  185    HA   ARG  26           HA       ARG  26  34.370  23.320  15.428
  186    HB2  ARG  26           HB2      ARG  26  34.682  21.488  13.960
  187    HB3  ARG  26           HB3      ARG  26  33.088  21.269  14.669
  188    HG2  ARG  26           HG2      ARG  26  32.281  21.058  12.620
  189    HG3  ARG  26           HG3      ARG  26  32.668  22.757  12.344
  190    HD2  ARG  26           HD2      ARG  26  33.971  21.987  10.692
  191    HD3  ARG  26           HD3      ARG  26  35.094  21.568  11.985
  192    HE   ARG  26           HE       ARG  26  33.320  19.441  11.678
  193   HH11  ARG  26          HH12      ARG  26  35.814  21.058   9.866
  194   HH12  ARG  26          HH11      ARG  26  36.265  19.643   8.973
  195   HH21  ARG  26          HH22      ARG  26  33.904  17.571  10.510
  196   HH22  ARG  26          HH21      ARG  26  35.177  17.660   9.340
  197    H    ASP  27           H        ASP  27  33.151  25.743  14.187
  198    HA   ASP  27           HA       ASP  27  35.165  26.106  12.075
  199    HB2  ASP  27           HB2      ASP  27  32.678  25.864  11.312
  200    HB3  ASP  27           HB3      ASP  27  32.519  27.510  11.920
  201    H    ILE  28           H        ILE  28  32.959  27.760  14.318
  202    HA   ILE  28           HA       ILE  28  34.091  30.297  14.215
  203    HB   ILE  28           HB       ILE  28  32.853  28.962  16.625
  204   HG12  ILE  28          HG12      ILE  28  31.515  30.776  14.617
  205   HG13  ILE  28          HG13      ILE  28  31.482  29.021  14.485
  206   HG21  ILE  28          HG21      ILE  28  33.984  30.906  17.358
  207   HG22  ILE  28          HG22      ILE  28  33.427  31.840  15.971
  208   HG23  ILE  28          HG23      ILE  28  32.283  31.348  17.219
  209   HD11  ILE  28          HD11      ILE  28  30.478  30.534  16.879
  210   HD12  ILE  28          HD12      ILE  28  29.462  30.034  15.526
  211   HD13  ILE  28          HD13      ILE  28  30.268  28.820  16.520
  212    H    GLY  29           H        GLY  29  35.230  27.404  15.756
  213    HA2  GLY  29           HA2      GLY  29  37.150  28.825  17.413
  214    HA3  GLY  29           HA3      GLY  29  36.938  27.083  17.320
  215    H    ILE  30           H        ILE  30  37.044  27.360  14.291
  216    HA   ILE  30           HA       ILE  30  39.959  27.221  14.124
  217    HB   ILE  30           HB       ILE  30  37.958  26.481  11.991
  218   HG12  ILE  30          HG12      ILE  30  39.290  24.676  14.022
  219   HG13  ILE  30          HG13      ILE  30  37.603  25.178  14.075
  220   HG21  ILE  30          HG21      ILE  30  40.108  26.797  11.047
  221   HG22  ILE  30          HG22      ILE  30  40.892  25.939  12.372
  222   HG23  ILE  30          HG23      ILE  30  39.891  25.056  11.220
  223   HD11  ILE  30          HD11      ILE  30  38.960  23.329  12.160
  224   HD12  ILE  30          HD12      ILE  30  37.515  23.066  13.138
  225   HD13  ILE  30          HD13      ILE  30  37.448  24.129  11.733
  226    H    SER  31           H        SER  31  37.455  29.379  13.468
  227    HA   SER  31           HA       SER  31  39.065  30.799  11.453
  228    HB2  SER  31           HB2      SER  31  36.254  30.234  11.624
  229    HB3  SER  31           HB3      SER  31  36.500  31.980  11.644
  230    HG   SER  31           HG       SER  31  36.534  30.433   9.554
  231    H    ASP  32           H        ASP  32  38.530  30.768  14.665
  232    HA   ASP  32           HA       ASP  32  37.891  33.321  15.473
  233    HB2  ASP  32           HB2      ASP  32  39.365  31.061  16.610
  234    HB3  ASP  32           HB3      ASP  32  39.893  32.621  17.236
  235    HA   PRO  33           HA       PRO  33  41.096  36.033  14.202
  236    HB2  PRO  33           HB2      PRO  33  41.224  37.747  16.304
  237    HB3  PRO  33           HB3      PRO  33  39.880  37.734  15.155
  238    HG2  PRO  33           HG2      PRO  33  40.054  36.507  17.880
  239    HG3  PRO  33           HG3      PRO  33  38.717  37.409  17.142
  240    HD2  PRO  33           HD2      PRO  33  38.746  34.705  17.286
  241    HD3  PRO  33           HD3      PRO  33  37.978  35.582  15.947
  242    H    GLN  34           H        GLN  34  41.419  35.083  17.625
  243    HA   GLN  34           HA       GLN  34  44.107  35.629  17.969
  244    HB2  GLN  34           HB2      GLN  34  42.368  33.483  19.177
  245    HB3  GLN  34           HB3      GLN  34  44.028  33.757  19.689
  246    HG2  GLN  34           HG2      GLN  34  42.690  36.253  19.708
  247    HG3  GLN  34           HG3      GLN  34  41.667  35.077  20.531
  248   HE21  GLN  34          HE21      GLN  34  43.453  33.445  21.729
  249   HE22  GLN  34          HE22      GLN  34  44.385  34.318  22.892
  250    H    HIS  35           H        HIS  35  42.592  33.026  16.246
  251    HA   HIS  35           HA       HIS  35  44.568  31.101  16.183
  252    HB2  HIS  35           HB2      HIS  35  42.168  31.463  14.910
  253    HB3  HIS  35           HB3      HIS  35  43.307  31.580  13.571
  254    HD1  HIS  35           HD1      HIS  35  41.385  29.221  13.686
  255    HD2  HIS  35           HD2      HIS  35  45.200  29.156  15.330
  256    HE1  HIS  35           HE1      HIS  35  42.020  26.791  13.814
  257    H    ARG  36           H        ARG  36  44.347  34.105  14.359
  258    HA   ARG  36           HA       ARG  36  46.481  33.605  12.582
  259    HB2  ARG  36           HB2      ARG  36  45.242  36.164  13.589
  260    HB3  ARG  36           HB3      ARG  36  46.527  36.137  12.389
  261    HG2  ARG  36           HG2      ARG  36  45.115  34.831  10.892
  262    HG3  ARG  36           HG3      ARG  36  43.828  34.834  12.099
  263    HD2  ARG  36           HD2      ARG  36  44.794  37.508  11.548
  264    HD3  ARG  36           HD3      ARG  36  44.231  36.703  10.083
  265    HE   ARG  36           HE       ARG  36  42.398  36.432  12.261
  266   HH11  ARG  36          HH12      ARG  36  43.464  38.552   9.714
  267   HH12  ARG  36          HH11      ARG  36  41.954  39.393   9.604
  268   HH21  ARG  36          HH22      ARG  36  40.404  37.531  12.125
  269   HH22  ARG  36          HH21      ARG  36  40.214  38.812  10.976
  270    H    ARG  37           H        ARG  37  46.337  35.015  15.808
  271    HA   ARG  37           HA       ARG  37  49.067  35.841  15.861
  272    HB2  ARG  37           HB2      ARG  37  47.064  35.388  18.078
  273    HB3  ARG  37           HB3      ARG  37  48.669  36.062  18.326
  274    HG2  ARG  37           HG2      ARG  37  47.687  37.664  16.348
  275    HG3  ARG  37           HG3      ARG  37  46.241  37.315  17.298
  276    HD2  ARG  37           HD2      ARG  37  47.460  38.013  19.334
  277    HD3  ARG  37           HD3      ARG  37  48.841  38.445  18.327
  278    HE   ARG  37           HE       ARG  37  46.467  39.976  18.729
  279   HH11  ARG  37          HH12      ARG  37  48.969  39.232  16.425
  280   HH12  ARG  37          HH11      ARG  37  48.819  40.737  15.581
  281   HH21  ARG  37          HH22      ARG  37  46.261  41.961  17.626
  282   HH22  ARG  37          HH21      ARG  37  47.280  42.289  16.265
  283    H    LYS  38           H        LYS  38  47.352  32.912  16.691
  284    HA   LYS  38           HA       LYS  38  49.628  31.731  18.029
  285    HB2  LYS  38           HB2      LYS  38  46.822  30.922  17.454
  286    HB3  LYS  38           HB3      LYS  38  47.998  29.641  17.714
  287    HG2  LYS  38           HG2      LYS  38  47.113  29.997  19.824
  288    HG3  LYS  38           HG3      LYS  38  48.614  30.926  19.854
  289    HD2  LYS  38           HD2      LYS  38  47.258  32.943  19.213
  290    HD3  LYS  38           HD3      LYS  38  45.810  31.966  19.473
  291    HE2  LYS  38           HE2      LYS  38  45.901  32.452  21.637
  292    HE3  LYS  38           HE3      LYS  38  47.456  31.629  21.741
  293    HZ1  LYS  38           HZ1      LYS  38  48.473  33.560  22.022
  294    HZ2  LYS  38           HZ2      LYS  38  46.965  34.322  22.101
  295    HZ3  LYS  38           HZ3      LYS  38  47.779  34.209  20.622
  296    H    LEU  39           H        LEU  39  48.365  31.915  14.834
  297    HA   LEU  39           HA       LEU  39  49.841  29.592  13.900
  298    HB2  LEU  39           HB2      LEU  39  47.541  30.357  13.066
  299    HB3  LEU  39           HB3      LEU  39  48.422  31.596  12.176
  300    HG   LEU  39           HG       LEU  39  49.745  29.578  11.200
  301   HD11  LEU  39          HD11      LEU  39  49.114  27.595  11.985
  302   HD12  LEU  39          HD12      LEU  39  47.627  27.804  11.061
  303   HD13  LEU  39          HD13      LEU  39  47.682  28.273  12.760
  304   HD21  LEU  39          HD21      LEU  39  48.371  31.010   9.847
  305   HD22  LEU  39          HD22      LEU  39  46.901  30.240  10.445
  306   HD23  LEU  39          HD23      LEU  39  48.022  29.333   9.428
  307    H    LEU  40           H        LEU  40  50.231  33.004  14.161
  308    HA   LEU  40           HA       LEU  40  52.183  33.320  12.105
  309    HB2  LEU  40           HB2      LEU  40  50.826  35.174  13.000
  310    HB3  LEU  40           HB3      LEU  40  51.671  35.025  14.539
  311    HG   LEU  40           HG       LEU  40  53.783  35.626  13.374
  312   HD11  LEU  40          HD11      LEU  40  51.910  35.822  11.049
  313   HD12  LEU  40          HD12      LEU  40  53.501  35.067  11.144
  314   HD13  LEU  40          HD13      LEU  40  53.359  36.825  11.126
  315   HD21  LEU  40          HD21      LEU  40  53.333  37.681  14.075
  316   HD22  LEU  40          HD22      LEU  40  51.616  37.278  14.115
  317   HD23  LEU  40          HD23      LEU  40  52.326  37.971  12.656
  318    H    GLN  41           H        GLN  41  52.377  33.001  15.642
  319    HA   GLN  41           HA       GLN  41  55.213  33.061  15.738
  320    HB2  GLN  41           HB2      GLN  41  53.130  32.101  17.698
  321    HB3  GLN  41           HB3      GLN  41  54.853  32.082  18.051
  322    HG2  GLN  41           HG2      GLN  41  53.940  34.660  17.074
  323    HG3  GLN  41           HG3      GLN  41  53.109  34.149  18.542
  324   HE21  GLN  41          HE21      GLN  41  55.701  35.793  17.400
  325   HE22  GLN  41          HE22      GLN  41  56.742  35.696  18.775
  326    H    ALA  42           H        ALA  42  52.894  30.582  15.090
  327    HA   ALA  42           HA       ALA  42  54.767  28.417  15.561
  328    HB1  ALA  42           HB1      ALA  42  52.948  26.952  14.883
  329    HB2  ALA  42           HB2      ALA  42  52.394  28.114  16.089
  330    HB3  ALA  42           HB3      ALA  42  51.990  28.347  14.388
  331    H    ALA  43           H        ALA  43  53.542  30.305  12.900
  332    HA   ALA  43           HA       ALA  43  54.607  28.528  10.880
  333    HB1  ALA  43           HB1      ALA  43  53.218  31.187  10.790
  334    HB2  ALA  43           HB2      ALA  43  53.945  30.468   9.352
  335    HB3  ALA  43           HB3      ALA  43  52.653  29.622  10.204
  336    H    ARG  44           H        ARG  44  55.694  31.216  12.730
  337    HA   ARG  44           HA       ARG  44  57.664  32.214  10.959
  338    HB2  ARG  44           HB2      ARG  44  56.652  33.052  13.332
  339    HB3  ARG  44           HB3      ARG  44  58.201  32.406  13.857
  340    HG2  ARG  44           HG2      ARG  44  59.348  33.855  12.257
  341    HG3  ARG  44           HG3      ARG  44  57.792  34.506  11.738
  342    HD2  ARG  44           HD2      ARG  44  58.122  36.076  13.296
  343    HD3  ARG  44           HD3      ARG  44  57.692  34.822  14.458
  344    HE   ARG  44           HE       ARG  44  60.469  34.774  13.803
  345   HH11  ARG  44          HH12      ARG  44  58.070  36.386  15.743
  346   HH12  ARG  44          HH11      ARG  44  59.200  36.886  16.958
  347   HH21  ARG  44          HH22      ARG  44  61.966  35.426  15.395
  348   HH22  ARG  44          HH21      ARG  44  61.416  36.340  16.759
  349    HN1  NH2  45           HN1      NH2  45  57.654  29.667  13.408
  350    HN2  NH2  45           HN2      NH2  45  59.242  29.062  13.073
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1   4.661   8.301  -4.151
    2    H2   ACE   1           H2       ACE   1   3.225   9.341  -4.303
    3    H3   ACE   1           H3       ACE   1   4.505   9.756  -3.137
    4    H    SER   2           H        SER   2   4.600   8.765  -1.212
    5    HA   SER   2           HA       SER   2   2.176   7.425  -0.355
    6    HB2  SER   2           HB2      SER   2   4.204   5.795  -1.146
    7    HB3  SER   2           HB3      SER   2   4.601   6.006   0.559
    8    HG   SER   2           HG       SER   2   2.962   4.797   1.065
    9    H    LYS   3           H        LYS   3   2.481   6.837   2.107
   10    HA   LYS   3           HA       LYS   3   3.360   9.302   3.380
   11    HB2  LYS   3           HB2      LYS   3   1.330   7.327   3.880
   12    HB3  LYS   3           HB3      LYS   3   2.335   7.514   5.311
   13    HG2  LYS   3           HG2      LYS   3   1.745  10.101   4.305
   14    HG3  LYS   3           HG3      LYS   3   0.241   9.180   4.391
   15    HD2  LYS   3           HD2      LYS   3   2.172   9.201   6.685
   16    HD3  LYS   3           HD3      LYS   3   1.003  10.506   6.470
   17    HE2  LYS   3           HE2      LYS   3  -0.816   8.854   6.482
   18    HE3  LYS   3           HE3      LYS   3   0.364   7.568   6.732
   19    HZ1  LYS   3           HZ1      LYS   3   0.619   9.675   8.650
   20    HZ2  LYS   3           HZ2      LYS   3   0.459   8.010   8.895
   21    HZ3  LYS   3           HZ3      LYS   3  -0.918   8.970   8.685
   22    H    LEU   4           H        LEU   4   4.983   6.731   2.472
   23    HA   LEU   4           HA       LEU   4   6.349   6.143   4.975
   24    HB2  LEU   4           HB2      LEU   4   6.409   5.009   2.213
   25    HB3  LEU   4           HB3      LEU   4   7.754   4.703   3.310
   26    HG   LEU   4           HG       LEU   4   6.075   3.747   4.927
   27   HD11  LEU   4          HD11      LEU   4   3.929   4.125   4.491
   28   HD12  LEU   4          HD12      LEU   4   4.068   2.939   3.194
   29   HD13  LEU   4          HD13      LEU   4   4.282   4.654   2.845
   30   HD21  LEU   4          HD21      LEU   4   7.381   2.170   3.826
   31   HD22  LEU   4          HD22      LEU   4   6.670   2.532   2.253
   32   HD23  LEU   4          HD23      LEU   4   5.735   1.653   3.463
   33    H    LEU   5           H        LEU   5   6.932   7.746   1.895
   34    HA   LEU   5           HA       LEU   5   9.680   8.186   2.143
   35    HB2  LEU   5           HB2      LEU   5   7.460   9.479   0.654
   36    HB3  LEU   5           HB3      LEU   5   8.988  10.348   0.770
   37    HG   LEU   5           HG       LEU   5   8.739   9.045  -1.320
   38   HD11  LEU   5          HD11      LEU   5  10.944   7.554  -0.396
   39   HD12  LEU   5          HD12      LEU   5  10.944   9.078   0.491
   40   HD13  LEU   5          HD13      LEU   5  10.953   9.084  -1.273
   41   HD21  LEU   5          HD21      LEU   5   7.455   7.177  -0.253
   42   HD22  LEU   5          HD22      LEU   5   8.975   6.611   0.439
   43   HD23  LEU   5          HD23      LEU   5   8.769   6.663  -1.312
   44    H    LEU   6           H        LEU   6   6.929  10.010   3.384
   45    HA   LEU   6           HA       LEU   6   8.266  12.292   4.265
   46    HB2  LEU   6           HB2      LEU   6   5.701  11.027   4.698
   47    HB3  LEU   6           HB3      LEU   6   6.296  11.797   6.168
   48    HG   LEU   6           HG       LEU   6   6.311  13.365   3.634
   49   HD11  LEU   6          HD11      LEU   6   3.987  14.087   4.106
   50   HD12  LEU   6          HD12      LEU   6   3.857  12.778   5.281
   51   HD13  LEU   6          HD13      LEU   6   4.109  12.409   3.575
   52   HD21  LEU   6          HD21      LEU   6   7.130  14.726   5.234
   53   HD22  LEU   6          HD22      LEU   6   6.363  13.829   6.544
   54   HD23  LEU   6          HD23      LEU   6   5.423  14.982   5.595
   55    H    ASN   7           H        ASN   7   7.550   9.289   6.037
   56    HA   ASN   7           HA       ASN   7   8.844  10.043   8.424
   57    HB2  ASN   7           HB2      ASN   7   7.543   7.694   7.365
   58    HB3  ASN   7           HB3      ASN   7   9.014   7.242   8.221
   59   HD21  ASN   7          HD21      ASN   7   5.876   7.420   8.647
   60   HD22  ASN   7          HD22      ASN   7   5.781   7.881  10.309
   61    H    GLY   8           H        GLY   8  10.020   8.760   5.418
   62    HA2  GLY   8           HA2      GLY   8  12.567   7.917   6.473
   63    HA3  GLY   8           HA3      GLY   8  12.115   8.002   4.777
   64    H    PHE   9           H        PHE   9  11.264  10.823   5.043
   65    HA   PHE   9           HA       PHE   9  13.894  11.992   4.669
   66    HB2  PHE   9           HB2      PHE   9  11.539  12.354   3.360
   67    HB3  PHE   9           HB3      PHE   9  11.517  13.729   4.460
   68    HD1  PHE   9           HD2      PHE   9  13.878  14.997   4.577
   69    HD2  PHE   9           HD1      PHE   9  12.458  12.691   1.294
   70    HE1  PHE   9           HE2      PHE   9  15.379  16.229   3.067
   71    HE2  PHE   9           HE1      PHE   9  13.958  13.918  -0.221
   72    HZ   PHE   9           HZ       PHE   9  15.421  15.691   0.664
   73    H    ASP  10           H        ASP  10  11.336  11.991   7.003
   74    HA   ASP  10           HA       ASP  10  11.727  14.368   8.351
   75    HB2  ASP  10           HB2      ASP  10  10.121  12.263   8.757
   76    HB3  ASP  10           HB3      ASP  10  11.313  11.939  10.013
   77    H    ASP  11           H        ASP  11  13.366  11.263   8.941
   78    HA   ASP  11           HA       ASP  11  15.040  12.121  11.002
   79    HB2  ASP  11           HB2      ASP  11  14.623   9.737  10.175
   80    HB3  ASP  11           HB3      ASP  11  15.840  10.067   8.945
   81    H    VAL  12           H        VAL  12  15.216  12.640   7.582
   82    HA   VAL  12           HA       VAL  12  17.994  13.433   7.600
   83    HB   VAL  12           HB       VAL  12  15.949  13.852   5.418
   84   HG11  VAL  12          HG11      VAL  12  18.070  15.192   5.340
   85   HG12  VAL  12          HG12      VAL  12  18.947  13.667   5.205
   86   HG13  VAL  12          HG13      VAL  12  17.800  14.140   3.951
   87   HG21  VAL  12          HG21      VAL  12  17.809  11.531   5.915
   88   HG22  VAL  12          HG22      VAL  12  16.045  11.500   5.927
   89   HG23  VAL  12          HG23      VAL  12  16.911  11.793   4.419
   90    H    HIS  13           H        HIS  13  14.840  15.033   7.385
   91    HA   HIS  13           HA       HIS  13  15.696  17.643   6.966
   92    HB2  HIS  13           HB2      HIS  13  13.255  16.330   7.705
   93    HB3  HIS  13           HB3      HIS  13  13.465  17.763   8.706
   94    HD1  HIS  13           HD1      HIS  13  12.999  19.988   7.637
   95    HD2  HIS  13           HD2      HIS  13  13.186  16.892   4.873
   96    HE1  HIS  13           HE1      HIS  13  12.233  20.984   5.459
   97    H    PHE  14           H        PHE  14  15.827  15.684   9.816
   98    HA   PHE  14           HA       PHE  14  16.317  17.939  11.576
   99    HB2  PHE  14           HB2      PHE  14  15.049  15.842  12.257
  100    HB3  PHE  14           HB3      PHE  14  16.601  15.011  12.251
  101    HD1  PHE  14           HD2      PHE  14  15.613  18.396  13.456
  102    HD2  PHE  14           HD1      PHE  14  17.170  14.557  14.432
  103    HE1  PHE  14           HE2      PHE  14  16.021  19.152  15.761
  104    HE2  PHE  14           HE1      PHE  14  17.580  15.307  16.740
  105    HZ   PHE  14           HZ       PHE  14  17.007  17.607  17.406
  106    H    LEU  15           H        LEU  15  18.109  15.247  10.150
  107    HA   LEU  15           HA       LEU  15  20.546  15.636  11.464
  108    HB2  LEU  15           HB2      LEU  15  19.584  14.195   9.125
  109    HB3  LEU  15           HB3      LEU  15  21.245  14.755   8.945
  110    HG   LEU  15           HG       LEU  15  21.199  12.479   9.772
  111   HD11  LEU  15          HD11      LEU  15  22.682  12.727  11.605
  112   HD12  LEU  15          HD12      LEU  15  21.994  14.292  12.038
  113   HD13  LEU  15          HD13      LEU  15  22.933  14.122  10.555
  114   HD21  LEU  15          HD21      LEU  15  20.344  12.294  12.246
  115   HD22  LEU  15          HD22      LEU  15  19.231  12.112  10.890
  116   HD23  LEU  15          HD23      LEU  15  19.314  13.642  11.764
  117    H    GLY  16           H        GLY  16  19.163  17.203   8.639
  118    HA2  GLY  16           HA2      GLY  16  21.487  18.501   7.718
  119    HA3  GLY  16           HA3      GLY  16  19.837  19.025   7.417
  120    H    SER  17           H        SER  17  19.114  19.415  10.161
  121    HA   SER  17           HA       SER  17  20.261  22.035  10.524
  122    HB2  SER  17           HB2      SER  17  18.594  22.335  12.244
  123    HB3  SER  17           HB3      SER  17  17.827  21.541  10.869
  124    HG   SER  17           HG       SER  17  17.944  20.704  13.377
  125    H    ASN  18           H        ASN  18  20.435  18.899  12.087
  126    HA   ASN  18           HA       ASN  18  21.834  19.804  14.402
  127    HB2  ASN  18           HB2      ASN  18  20.691  17.374  13.501
  128    HB3  ASN  18           HB3      ASN  18  22.389  17.046  13.836
  129   HD21  ASN  18          HD21      ASN  18  20.084  16.078  15.251
  130   HD22  ASN  18          HD22      ASN  18  20.227  16.635  16.881
  131    H    VAL  19           H        VAL  19  22.798  18.446  11.290
  132    HA   VAL  19           HA       VAL  19  25.544  18.145  11.875
  133    HB   VAL  19           HB       VAL  19  24.154  17.240   9.864
  134   HG11  VAL  19          HG11      VAL  19  24.018  18.500   7.940
  135   HG12  VAL  19          HG12      VAL  19  23.742  19.726   9.178
  136   HG13  VAL  19          HG13      VAL  19  25.329  19.576   8.423
  137   HG21  VAL  19          HG21      VAL  19  26.128  16.393   9.293
  138   HG22  VAL  19          HG22      VAL  19  26.672  17.954   8.678
  139   HG23  VAL  19          HG23      VAL  19  26.892  17.552  10.381
  140    H    MET  20           H        MET  20  23.611  20.891  11.040
  141    HA   MET  20           HA       MET  20  25.873  22.527  10.269
  142    HB2  MET  20           HB2      MET  20  23.699  22.868   9.191
  143    HB3  MET  20           HB3      MET  20  22.978  23.259  10.747
  144    HG2  MET  20           HG2      MET  20  24.862  25.092  10.783
  145    HG3  MET  20           HG3      MET  20  24.794  24.868   9.036
  146    HE1  MET  20           HE1      MET  20  21.913  25.516  12.070
  147    HE2  MET  20           HE2      MET  20  23.530  26.219  12.110
  148    HE3  MET  20           HE3      MET  20  22.140  27.226  11.701
  149    H    GLU  21           H        GLU  21  23.817  22.037  13.074
  150    HA   GLU  21           HA       GLU  21  24.725  24.292  14.541
  151    HB2  GLU  21           HB2      GLU  21  22.650  23.326  15.189
  152    HB3  GLU  21           HB3      GLU  21  23.366  21.729  15.356
  153    HG2  GLU  21           HG2      GLU  21  23.921  22.103  17.468
  154    HG3  GLU  21           HG3      GLU  21  24.667  23.650  17.073
  155    H    GLU  22           H        GLU  22  25.863  21.001  14.181
  156    HA   GLU  22           HA       GLU  22  27.738  21.160  16.353
  157    HB2  GLU  22           HB2      GLU  22  28.485  18.985  15.644
  158    HB3  GLU  22           HB3      GLU  22  26.729  19.021  15.580
  159    HG2  GLU  22           HG2      GLU  22  26.824  19.371  13.163
  160    HG3  GLU  22           HG3      GLU  22  28.585  19.324  13.230
  161    H    GLN  23           H        GLN  23  27.811  21.652  12.881
  162    HA   GLN  23           HA       GLN  23  30.685  21.920  12.797
  163    HB2  GLN  23           HB2      GLN  23  28.607  21.514  10.903
  164    HB3  GLN  23           HB3      GLN  23  29.436  23.001  10.464
  165    HG2  GLN  23           HG2      GLN  23  31.519  21.887  10.275
  166    HG3  GLN  23           HG3      GLN  23  30.873  20.421  11.009
  167   HE21  GLN  23          HE21      GLN  23  29.524  22.505   8.493
  168   HE22  GLN  23          HE22      GLN  23  29.439  21.281   7.277
  169    H    ASP  24           H        ASP  24  27.962  23.961  13.307
  170    HA   ASP  24           HA       ASP  24  29.292  26.411  12.587
  171    HB2  ASP  24           HB2      ASP  24  26.833  26.150  12.417
  172    HB3  ASP  24           HB3      ASP  24  26.747  26.000  14.170
  173    H    LEU  25           H        LEU  25  28.955  24.453  15.423
  174    HA   LEU  25           HA       LEU  25  29.797  26.545  17.236
  175    HB2  LEU  25           HB2      LEU  25  28.582  23.971  17.451
  176    HB3  LEU  25           HB3      LEU  25  30.037  23.999  18.444
  177    HG   LEU  25           HG       LEU  25  29.152  26.025  19.583
  178   HD11  LEU  25          HD11      LEU  25  27.341  26.020  17.438
  179   HD12  LEU  25          HD12      LEU  25  27.386  27.122  18.815
  180   HD13  LEU  25          HD13      LEU  25  26.398  25.663  18.886
  181   HD21  LEU  25          HD21      LEU  25  27.642  23.433  19.638
  182   HD22  LEU  25          HD22      LEU  25  27.240  24.758  20.731
  183   HD23  LEU  25          HD23      LEU  25  28.850  24.038  20.772
  184    H    ARG  26           H        ARG  26  31.208  23.849  15.514
  185    HA   ARG  26           HA       ARG  26  33.715  23.994  16.943
  186    HB2  ARG  26           HB2      ARG  26  34.455  22.232  15.471
  187    HB3  ARG  26           HB3      ARG  26  32.833  21.857  16.036
  188    HG2  ARG  26           HG2      ARG  26  32.293  21.515  13.913
  189    HG3  ARG  26           HG3      ARG  26  32.418  23.260  13.686
  190    HD2  ARG  26           HD2      ARG  26  35.040  22.370  13.566
  191    HD3  ARG  26           HD3      ARG  26  34.127  21.129  12.709
  192    HE   ARG  26           HE       ARG  26  33.408  23.770  11.891
  193   HH11  ARG  26          HH12      ARG  26  35.753  21.231  11.476
  194   HH12  ARG  26          HH11      ARG  26  36.209  21.734   9.882
  195   HH21  ARG  26          HH22      ARG  26  34.000  24.443   9.793
  196   HH22  ARG  26          HH21      ARG  26  35.212  23.562   8.926
  197    H    ASP  27           H        ASP  27  32.320  25.307  14.047
  198    HA   ASP  27           HA       ASP  27  34.691  25.991  12.684
  199    HB2  ASP  27           HB2      ASP  27  32.661  26.040  11.448
  200    HB3  ASP  27           HB3      ASP  27  31.897  27.126  12.606
  201    H    ILE  28           H        ILE  28  32.718  27.750  15.039
  202    HA   ILE  28           HA       ILE  28  33.991  30.215  14.948
  203    HB   ILE  28           HB       ILE  28  32.848  28.857  17.392
  204   HG12  ILE  28          HG12      ILE  28  31.479  30.842  15.578
  205   HG13  ILE  28          HG13      ILE  28  31.347  29.103  15.342
  206   HG21  ILE  28          HG21      ILE  28  32.416  31.524  17.704
  207   HG22  ILE  28          HG22      ILE  28  33.756  30.631  18.422
  208   HG23  ILE  28          HG23      ILE  28  33.992  31.512  16.913
  209   HD11  ILE  28          HD11      ILE  28  30.448  30.677  17.740
  210   HD12  ILE  28          HD12      ILE  28  29.431  29.877  16.541
  211   HD13  ILE  28          HD13      ILE  28  30.429  28.917  17.633
  212    H    GLY  29           H        GLY  29  35.066  27.206  16.301
  213    HA2  GLY  29           HA2      GLY  29  37.153  28.425  17.900
  214    HA3  GLY  29           HA3      GLY  29  36.875  26.704  17.680
  215    H    ILE  30           H        ILE  30  36.817  27.101  14.707
  216    HA   ILE  30           HA       ILE  30  39.710  26.966  14.338
  217    HB   ILE  30           HB       ILE  30  37.560  26.359  12.310
  218   HG12  ILE  30          HG12      ILE  30  39.018  24.438  14.138
  219   HG13  ILE  30          HG13      ILE  30  37.344  24.944  14.340
  220   HG21  ILE  30          HG21      ILE  30  39.414  24.975  11.319
  221   HG22  ILE  30          HG22      ILE  30  39.644  26.721  11.240
  222   HG23  ILE  30          HG23      ILE  30  40.508  25.772  12.450
  223   HD11  ILE  30          HD11      ILE  30  38.518  23.298  12.122
  224   HD12  ILE  30          HD12      ILE  30  37.306  22.822  13.312
  225   HD13  ILE  30          HD13      ILE  30  36.899  23.994  12.058
  226    H    SER  31           H        SER  31  37.184  29.170  13.939
  227    HA   SER  31           HA       SER  31  38.687  30.684  11.910
  228    HB2  SER  31           HB2      SER  31  35.886  30.136  12.229
  229    HB3  SER  31           HB3      SER  31  36.153  31.876  12.326
  230    HG   SER  31           HG       SER  31  37.372  31.647  10.342
  231    H    ASP  32           H        ASP  32  38.351  30.489  15.145
  232    HA   ASP  32           HA       ASP  32  37.798  33.004  16.121
  233    HB2  ASP  32           HB2      ASP  32  39.104  30.635  17.082
  234    HB3  ASP  32           HB3      ASP  32  40.006  32.052  17.612
  235    HA   PRO  33           HA       PRO  33  40.956  35.744  14.795
  236    HB2  PRO  33           HB2      PRO  33  41.234  37.345  16.970
  237    HB3  PRO  33           HB3      PRO  33  39.824  37.406  15.907
  238    HG2  PRO  33           HG2      PRO  33  40.146  36.038  18.550
  239    HG3  PRO  33           HG3      PRO  33  38.779  36.991  17.942
  240    HD2  PRO  33           HD2      PRO  33  38.780  34.283  17.946
  241    HD3  PRO  33           HD3      PRO  33  37.944  35.236  16.703
  242    H    GLN  34           H        GLN  34  41.472  34.612  18.138
  243    HA   GLN  34           HA       GLN  34  44.183  35.112  18.347
  244    HB2  GLN  34           HB2      GLN  34  42.493  32.920  19.542
  245    HB3  GLN  34           HB3      GLN  34  44.184  33.152  19.967
  246    HG2  GLN  34           HG2      GLN  34  43.769  35.210  20.986
  247    HG3  GLN  34           HG3      GLN  34  42.194  35.376  20.211
  248   HE21  GLN  34          HE21      GLN  34  41.786  35.862  22.591
  249   HE22  GLN  34          HE22      GLN  34  41.276  34.526  23.561
  250    H    HIS  35           H        HIS  35  42.534  32.617  16.585
  251    HA   HIS  35           HA       HIS  35  44.477  30.681  16.300
  252    HB2  HIS  35           HB2      HIS  35  42.011  31.117  15.205
  253    HB3  HIS  35           HB3      HIS  35  43.056  31.326  13.804
  254    HD1  HIS  35           HD1      HIS  35  41.157  28.966  13.848
  255    HD2  HIS  35           HD2      HIS  35  45.043  28.790  15.308
  256    HE1  HIS  35           HE1      HIS  35  41.791  26.533  13.781
  257    H    ARG  36           H        ARG  36  44.208  33.796  14.694
  258    HA   ARG  36           HA       ARG  36  46.203  33.378  12.742
  259    HB2  ARG  36           HB2      ARG  36  44.984  35.829  13.980
  260    HB3  ARG  36           HB3      ARG  36  46.323  35.966  12.848
  261    HG2  ARG  36           HG2      ARG  36  44.789  34.435  11.359
  262    HG3  ARG  36           HG3      ARG  36  43.517  35.113  12.376
  263    HD2  ARG  36           HD2      ARG  36  45.165  37.264  11.638
  264    HD3  ARG  36           HD3      ARG  36  44.923  36.308  10.177
  265    HE   ARG  36           HE       ARG  36  42.466  36.711  11.525
  266   HH11  ARG  36          HH12      ARG  36  44.814  38.347   9.543
  267   HH12  ARG  36          HH11      ARG  36  43.669  39.464   8.880
  268   HH21  ARG  36          HH22      ARG  36  40.948  38.176  10.658
  269   HH22  ARG  36          HH21      ARG  36  41.470  39.367   9.515
  270    H    ARG  37           H        ARG  37  46.315  34.596  16.052
  271    HA   ARG  37           HA       ARG  37  49.064  35.341  15.973
  272    HB2  ARG  37           HB2      ARG  37  47.219  34.773  18.299
  273    HB3  ARG  37           HB3      ARG  37  48.845  35.424  18.460
  274    HG2  ARG  37           HG2      ARG  37  48.056  37.308  16.932
  275    HG3  ARG  37           HG3      ARG  37  46.425  36.717  17.256
  276    HD2  ARG  37           HD2      ARG  37  46.447  37.432  19.408
  277    HD3  ARG  37           HD3      ARG  37  48.172  37.125  19.604
  278    HE   ARG  37           HE       ARG  37  48.585  39.292  19.004
  279   HH11  ARG  37          HH12      ARG  37  45.345  38.450  18.049
  280   HH12  ARG  37          HH11      ARG  37  44.925  40.064  17.578
  281   HH21  ARG  37          HH22      ARG  37  48.045  41.420  18.387
  282   HH22  ARG  37          HH21      ARG  37  46.462  41.752  17.770
  283    H    LYS  38           H        LYS  38  47.330  32.403  16.731
  284    HA   LYS  38           HA       LYS  38  49.656  31.083  17.829
  285    HB2  LYS  38           HB2      LYS  38  46.888  30.090  17.135
  286    HB3  LYS  38           HB3      LYS  38  48.144  29.070  17.825
  287    HG2  LYS  38           HG2      LYS  38  48.242  30.682  19.753
  288    HG3  LYS  38           HG3      LYS  38  46.792  31.438  19.089
  289    HD2  LYS  38           HD2      LYS  38  45.956  28.911  19.093
  290    HD3  LYS  38           HD3      LYS  38  47.136  28.797  20.400
  291    HE2  LYS  38           HE2      LYS  38  46.000  30.858  21.379
  292    HE3  LYS  38           HE3      LYS  38  44.705  30.557  20.221
  293    HZ1  LYS  38           HZ1      LYS  38  44.221  29.559  22.364
  294    HZ2  LYS  38           HZ2      LYS  38  45.647  28.651  22.295
  295    HZ3  LYS  38           HZ3      LYS  38  44.405  28.360  21.184
  296    H    LEU  39           H        LEU  39  48.191  31.508  14.744
  297    HA   LEU  39           HA       LEU  39  49.548  29.226  13.562
  298    HB2  LEU  39           HB2      LEU  39  47.215  30.093  12.938
  299    HB3  LEU  39           HB3      LEU  39  48.068  31.367  12.068
  300    HG   LEU  39           HG       LEU  39  49.272  29.370  10.894
  301   HD11  LEU  39          HD11      LEU  39  47.249  27.611  10.674
  302   HD12  LEU  39          HD12      LEU  39  47.075  28.074  12.366
  303   HD13  LEU  39          HD13      LEU  39  48.603  27.413  11.786
  304   HD21  LEU  39          HD21      LEU  39  46.422  29.657  10.083
  305   HD22  LEU  39          HD22      LEU  39  47.885  29.688   9.099
  306   HD23  LEU  39          HD23      LEU  39  47.454  31.087  10.083
  307    H    LEU  40           H        LEU  40  50.034  32.603  14.021
  308    HA   LEU  40           HA       LEU  40  51.857  33.015  11.864
  309    HB2  LEU  40           HB2      LEU  40  50.641  34.573  13.913
  310    HB3  LEU  40           HB3      LEU  40  52.383  34.835  13.974
  311    HG   LEU  40           HG       LEU  40  51.283  36.524  12.610
  312   HD11  LEU  40          HD11      LEU  40  53.045  36.596  11.255
  313   HD12  LEU  40          HD12      LEU  40  52.564  35.115  10.426
  314   HD13  LEU  40          HD13      LEU  40  53.503  35.027  11.917
  315   HD21  LEU  40          HD21      LEU  40  50.328  35.764  10.389
  316   HD22  LEU  40          HD22      LEU  40  49.342  35.446  11.816
  317   HD23  LEU  40          HD23      LEU  40  50.273  34.141  11.079
  318    H    GLN  41           H        GLN  41  52.257  32.447  15.350
  319    HA   GLN  41           HA       GLN  41  55.096  32.463  15.275
  320    HB2  GLN  41           HB2      GLN  41  53.113  31.415  17.291
  321    HB3  GLN  41           HB3      GLN  41  54.852  31.326  17.536
  322    HG2  GLN  41           HG2      GLN  41  55.062  33.676  17.596
  323    HG3  GLN  41           HG3      GLN  41  53.424  33.909  16.990
  324   HE21  GLN  41          HE21      GLN  41  54.333  35.158  19.275
  325   HE22  GLN  41          HE22      GLN  41  53.494  34.522  20.644
  326    H    ALA  42           H        ALA  42  52.694  30.069  14.609
  327    HA   ALA  42           HA       ALA  42  54.553  27.850  14.815
  328    HB1  ALA  42           HB1      ALA  42  52.127  27.674  15.436
  329    HB2  ALA  42           HB2      ALA  42  51.750  27.793  13.716
  330    HB3  ALA  42           HB3      ALA  42  52.706  26.438  14.318
  331    H    ALA  43           H        ALA  43  53.215  29.943  12.376
  332    HA   ALA  43           HA       ALA  43  54.121  28.285  10.179
  333    HB1  ALA  43           HB1      ALA  43  52.046  29.579   9.982
  334    HB2  ALA  43           HB2      ALA  43  52.970  31.073  10.142
  335    HB3  ALA  43           HB3      ALA  43  53.221  30.026   8.745
  336    H    ARG  44           H        ARG  44  55.307  30.900  12.095
  337    HA   ARG  44           HA       ARG  44  57.191  31.948  10.251
  338    HB2  ARG  44           HB2      ARG  44  56.786  32.130  13.208
  339    HB3  ARG  44           HB3      ARG  44  58.308  32.683  12.522
  340    HG2  ARG  44           HG2      ARG  44  56.300  33.808  10.928
  341    HG3  ARG  44           HG3      ARG  44  55.762  33.994  12.598
  342    HD2  ARG  44           HD2      ARG  44  57.025  35.891  12.347
  343    HD3  ARG  44           HD3      ARG  44  58.236  34.775  12.978
  344    HE   ARG  44           HE       ARG  44  58.245  34.637  10.176
  345   HH11  ARG  44          HH12      ARG  44  59.071  36.832  12.748
  346   HH12  ARG  44          HH11      ARG  44  60.313  37.632  11.843
  347   HH21  ARG  44          HH22      ARG  44  59.878  35.681   8.974
  348   HH22  ARG  44          HH21      ARG  44  60.770  36.977   9.696
  349    HN1  NH2  45           HN1      NH2  45  57.266  29.333  12.617
  350    HN2  NH2  45           HN2      NH2  45  58.850  28.752  12.226
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1  10.581   2.119  -0.560
    2    H2   ACE   1           H2       ACE   1   8.815   2.137  -0.345
    3    H3   ACE   1           H3       ACE   1   9.523   1.477  -1.839
    4    H    SER   2           H        SER   2   7.596   3.653  -1.333
    5    HA   SER   2           HA       SER   2   9.051   5.789  -2.749
    6    HB2  SER   2           HB2      SER   2   6.244   4.748  -3.037
    7    HB3  SER   2           HB3      SER   2   6.660   6.378  -3.567
    8    HG   SER   2           HG       SER   2   6.955   4.211  -4.942
    9    H    LYS   3           H        LYS   3   5.893   5.663  -1.123
   10    HA   LYS   3           HA       LYS   3   5.944   8.258  -0.148
   11    HB2  LYS   3           HB2      LYS   3   4.395   5.815   0.408
   12    HB3  LYS   3           HB3      LYS   3   4.432   6.976   1.728
   13    HG2  LYS   3           HG2      LYS   3   3.901   8.203  -0.860
   14    HG3  LYS   3           HG3      LYS   3   2.694   7.004  -0.388
   15    HD2  LYS   3           HD2      LYS   3   2.119   8.171   1.550
   16    HD3  LYS   3           HD3      LYS   3   3.613   9.112   1.537
   17    HE2  LYS   3           HE2      LYS   3   2.406  10.739   0.600
   18    HE3  LYS   3           HE3      LYS   3   2.441   9.763  -0.867
   19    HZ1  LYS   3           HZ1      LYS   3   0.274  10.137   1.066
   20    HZ2  LYS   3           HZ2      LYS   3   0.387   8.641   0.284
   21    HZ3  LYS   3           HZ3      LYS   3   0.211  10.058  -0.623
   22    H    LEU   4           H        LEU   4   7.272   5.315   1.226
   23    HA   LEU   4           HA       LEU   4   7.761   6.174   3.829
   24    HB2  LEU   4           HB2      LEU   4   8.621   4.025   2.104
   25    HB3  LEU   4           HB3      LEU   4   9.943   4.582   3.128
   26    HG   LEU   4           HG       LEU   4   8.676   2.661   4.061
   27   HD11  LEU   4          HD11      LEU   4   8.024   4.308   6.200
   28   HD12  LEU   4          HD12      LEU   4   9.325   5.155   5.364
   29   HD13  LEU   4          HD13      LEU   4   9.565   3.498   5.916
   30   HD21  LEU   4          HD21      LEU   4   6.456   3.892   3.171
   31   HD22  LEU   4          HD22      LEU   4   6.435   4.404   4.859
   32   HD23  LEU   4          HD23      LEU   4   6.455   2.686   4.458
   33    H    LEU   5           H        LEU   5   9.355   6.978   0.859
   34    HA   LEU   5           HA       LEU   5  11.850   7.803   1.748
   35    HB2  LEU   5           HB2      LEU   5  10.825   7.700  -0.634
   36    HB3  LEU   5           HB3      LEU   5  10.343   9.365  -0.313
   37    HG   LEU   5           HG       LEU   5  13.055   9.278   0.318
   38   HD11  LEU   5          HD11      LEU   5  13.740   7.395  -0.740
   39   HD12  LEU   5          HD12      LEU   5  13.747   8.482  -2.128
   40   HD13  LEU   5          HD13      LEU   5  12.382   7.397  -1.865
   41   HD21  LEU   5          HD21      LEU   5  11.302  10.453  -1.730
   42   HD22  LEU   5          HD22      LEU   5  13.012  10.368  -2.155
   43   HD23  LEU   5          HD23      LEU   5  12.507  11.213  -0.691
   44    H    LEU   6           H        LEU   6   8.740   9.279   2.167
   45    HA   LEU   6           HA       LEU   6   9.739  11.874   2.876
   46    HB2  LEU   6           HB2      LEU   6   7.180  10.619   2.476
   47    HB3  LEU   6           HB3      LEU   6   7.182  11.552   3.972
   48    HG   LEU   6           HG       LEU   6   8.284  12.966   1.644
   49   HD11  LEU   6          HD11      LEU   6   6.443  13.098   0.328
   50   HD12  LEU   6          HD12      LEU   6   5.327  12.814   1.663
   51   HD13  LEU   6          HD13      LEU   6   6.203  11.463   0.944
   52   HD21  LEU   6          HD21      LEU   6   6.392  14.551   2.655
   53   HD22  LEU   6          HD22      LEU   6   7.995  14.401   3.376
   54   HD23  LEU   6          HD23      LEU   6   6.637  13.496   4.047
   55    H    ASN   7           H        ASN   7   8.557   9.045   4.650
   56    HA   ASN   7           HA       ASN   7   8.597  10.093   7.224
   57    HB2  ASN   7           HB2      ASN   7   9.137   7.284   6.246
   58    HB3  ASN   7           HB3      ASN   7   8.966   7.702   7.949
   59   HD21  ASN   7          HD21      ASN   7   6.940   8.584   8.653
   60   HD22  ASN   7          HD22      ASN   7   5.485   8.171   7.818
   61    H    GLY   8           H        GLY   8  11.216   9.079   5.170
   62    HA2  GLY   8           HA2      GLY   8  13.142   9.113   7.356
   63    HA3  GLY   8           HA3      GLY   8  13.479   8.727   5.675
   64    H    PHE   9           H        PHE   9  12.283  11.061   4.542
   65    HA   PHE   9           HA       PHE   9  14.481  12.842   4.734
   66    HB2  PHE   9           HB2      PHE   9  13.090  12.533   2.688
   67    HB3  PHE   9           HB3      PHE   9  11.768  13.363   3.504
   68    HD1  PHE   9           HD1      PHE   9  15.366  13.872   2.663
   69    HD2  PHE   9           HD2      PHE   9  11.512  15.615   3.142
   70    HE1  PHE   9           HE1      PHE   9  16.250  16.032   1.885
   71    HE2  PHE   9           HE2      PHE   9  12.390  17.778   2.364
   72    HZ   PHE   9           HZ       PHE   9  14.762  17.988   1.734
   73    H    ASP  10           H        ASP  10  11.652  12.481   6.576
   74    HA   ASP  10           HA       ASP  10  11.426  15.230   7.407
   75    HB2  ASP  10           HB2      ASP  10   9.897  12.803   7.715
   76    HB3  ASP  10           HB3      ASP  10  10.106  13.594   9.275
   77    H    ASP  11           H        ASP  11  13.171  12.424   8.414
   78    HA   ASP  11           HA       ASP  11  13.787  13.529  11.034
   79    HB2  ASP  11           HB2      ASP  11  13.985  10.910   9.745
   80    HB3  ASP  11           HB3      ASP  11  15.409  11.318  10.698
   81    H    VAL  12           H        VAL  12  15.285  13.067   7.901
   82    HA   VAL  12           HA       VAL  12  17.930  13.749   8.737
   83    HB   VAL  12           HB       VAL  12  17.352  12.427   6.665
   84   HG11  VAL  12          HG11      VAL  12  16.841  15.133   5.446
   85   HG12  VAL  12          HG12      VAL  12  16.704  13.554   4.670
   86   HG13  VAL  12          HG13      VAL  12  15.560  14.022   5.929
   87   HG21  VAL  12          HG21      VAL  12  19.584  13.444   7.142
   88   HG22  VAL  12          HG22      VAL  12  19.235  13.233   5.426
   89   HG23  VAL  12          HG23      VAL  12  19.102  14.830   6.163
   90    H    HIS  13           H        HIS  13  15.137  15.536   7.680
   91    HA   HIS  13           HA       HIS  13  16.432  17.941   6.957
   92    HB2  HIS  13           HB2      HIS  13  13.848  17.015   6.862
   93    HB3  HIS  13           HB3      HIS  13  13.755  18.238   8.126
   94    HD1  HIS  13           HD1      HIS  13  13.455  20.572   7.344
   95    HD2  HIS  13           HD2      HIS  13  14.985  18.117   4.362
   96    HE1  HIS  13           HE1      HIS  13  13.533  21.997   5.273
   97    H    PHE  14           H        PHE  14  15.619  16.531  10.006
   98    HA   PHE  14           HA       PHE  14  15.843  19.002  11.485
   99    HB2  PHE  14           HB2      PHE  14  14.329  17.355  12.358
  100    HB3  PHE  14           HB3      PHE  14  15.582  16.119  12.349
  101    HD1  PHE  14           HD1      PHE  14  15.610  19.627  13.600
  102    HD2  PHE  14           HD2      PHE  14  15.938  15.488  14.536
  103    HE1  PHE  14           HE1      PHE  14  16.186  20.201  15.922
  104    HE2  PHE  14           HE2      PHE  14  16.513  16.055  16.860
  105    HZ   PHE  14           HZ       PHE  14  16.637  18.414  17.556
  106    H    LEU  15           H        LEU  15  17.837  16.180  10.809
  107    HA   LEU  15           HA       LEU  15  19.898  16.590  12.622
  108    HB2  LEU  15           HB2      LEU  15  19.913  14.575  11.434
  109    HB3  LEU  15           HB3      LEU  15  19.813  15.392   9.875
  110    HG   LEU  15           HG       LEU  15  22.128  16.121  10.093
  111   HD11  LEU  15          HD11      LEU  15  23.525  15.459  11.916
  112   HD12  LEU  15          HD12      LEU  15  22.223  14.514  12.639
  113   HD13  LEU  15          HD13      LEU  15  22.108  16.273  12.580
  114   HD21  LEU  15          HD21      LEU  15  23.188  13.992   9.786
  115   HD22  LEU  15          HD22      LEU  15  21.571  13.918   9.086
  116   HD23  LEU  15          HD23      LEU  15  21.890  13.168  10.651
  117    H    GLY  16           H        GLY  16  19.287  18.117   9.511
  118    HA2  GLY  16           HA2      GLY  16  21.734  19.350   9.060
  119    HA3  GLY  16           HA3      GLY  16  20.183  20.001   8.553
  120    H    SER  17           H        SER  17  18.909  20.994  10.484
  121    HA   SER  17           HA       SER  17  20.212  23.280  11.315
  122    HB2  SER  17           HB2      SER  17  17.656  22.044  11.783
  123    HB3  SER  17           HB3      SER  17  18.262  22.736  13.287
  124    HG   SER  17           HG       SER  17  17.170  24.002  11.238
  125    H    ASN  18           H        ASN  18  20.034  20.144  12.872
  126    HA   ASN  18           HA       ASN  18  21.059  20.933  15.390
  127    HB2  ASN  18           HB2      ASN  18  20.029  18.604  14.330
  128    HB3  ASN  18           HB3      ASN  18  21.727  18.202  14.569
  129   HD21  ASN  18          HD21      ASN  18  18.857  17.926  15.956
  130   HD22  ASN  18          HD22      ASN  18  19.291  17.989  17.627
  131    H    VAL  19           H        VAL  19  22.630  19.384  12.591
  132    HA   VAL  19           HA       VAL  19  25.210  19.227  13.548
  133    HB   VAL  19           HB       VAL  19  24.385  19.891  10.718
  134   HG11  VAL  19          HG11      VAL  19  26.981  19.196  11.977
  135   HG12  VAL  19          HG12      VAL  19  26.622  18.502  10.394
  136   HG13  VAL  19          HG13      VAL  19  26.632  20.253  10.609
  137   HG21  VAL  19          HG21      VAL  19  23.958  17.564  12.284
  138   HG22  VAL  19          HG22      VAL  19  23.593  17.821  10.578
  139   HG23  VAL  19          HG23      VAL  19  25.165  17.181  11.058
  140    H    MET  20           H        MET  20  23.466  22.023  12.391
  141    HA   MET  20           HA       MET  20  25.772  23.711  12.170
  142    HB2  MET  20           HB2      MET  20  23.746  24.141  10.858
  143    HB3  MET  20           HB3      MET  20  22.836  24.417  12.337
  144    HG2  MET  20           HG2      MET  20  24.606  26.256  12.782
  145    HG3  MET  20           HG3      MET  20  24.920  26.123  11.053
  146    HE1  MET  20           HE1      MET  20  23.506  27.766  13.636
  147    HE2  MET  20           HE2      MET  20  22.425  28.941  12.886
  148    HE3  MET  20           HE3      MET  20  21.767  27.471  13.607
  149    H    GLU  21           H        GLU  21  23.388  23.000  14.647
  150    HA   GLU  21           HA       GLU  21  24.107  25.132  16.390
  151    HB2  GLU  21           HB2      GLU  21  21.964  24.210  16.731
  152    HB3  GLU  21           HB3      GLU  21  22.584  22.565  16.760
  153    HG2  GLU  21           HG2      GLU  21  23.033  22.643  18.944
  154    HG3  GLU  21           HG3      GLU  21  23.689  24.277  18.850
  155    H    GLU  22           H        GLU  22  25.276  21.879  15.888
  156    HA   GLU  22           HA       GLU  22  26.842  21.825  18.305
  157    HB2  GLU  22           HB2      GLU  22  27.086  20.006  15.908
  158    HB3  GLU  22           HB3      GLU  22  27.635  19.688  17.548
  159    HG2  GLU  22           HG2      GLU  22  24.745  20.103  16.847
  160    HG3  GLU  22           HG3      GLU  22  25.523  18.521  16.832
  161    H    GLN  23           H        GLN  23  27.327  22.677  14.956
  162    HA   GLN  23           HA       GLN  23  30.208  22.858  15.253
  163    HB2  GLN  23           HB2      GLN  23  28.389  22.618  13.074
  164    HB3  GLN  23           HB3      GLN  23  29.310  24.099  12.849
  165    HG2  GLN  23           HG2      GLN  23  31.286  22.999  12.577
  166    HG3  GLN  23           HG3      GLN  23  30.791  21.633  13.575
  167   HE21  GLN  23          HE21      GLN  23  29.199  23.122  10.792
  168   HE22  GLN  23          HE22      GLN  23  29.204  21.703   9.806
  169    H    ASP  24           H        ASP  24  27.443  24.893  15.516
  170    HA   ASP  24           HA       ASP  24  28.840  27.373  15.123
  171    HB2  ASP  24           HB2      ASP  24  26.423  27.157  14.671
  172    HB3  ASP  24           HB3      ASP  24  26.138  26.852  16.382
  173    H    LEU  25           H        LEU  25  28.051  25.307  17.825
  174    HA   LEU  25           HA       LEU  25  28.723  27.251  19.831
  175    HB2  LEU  25           HB2      LEU  25  28.198  25.627  21.397
  176    HB3  LEU  25           HB3      LEU  25  27.142  25.240  20.040
  177    HG   LEU  25           HG       LEU  25  29.160  23.609  19.444
  178   HD11  LEU  25          HD11      LEU  25  29.437  24.204  22.358
  179   HD12  LEU  25          HD12      LEU  25  30.686  23.980  21.133
  180   HD13  LEU  25          HD13      LEU  25  29.793  22.588  21.745
  181   HD21  LEU  25          HD21      LEU  25  26.662  23.212  20.062
  182   HD22  LEU  25          HD22      LEU  25  27.318  22.733  21.628
  183   HD23  LEU  25          HD23      LEU  25  27.814  21.880  20.165
  184    H    ARG  26           H        ARG  26  30.470  25.109  17.836
  185    HA   ARG  26           HA       ARG  26  32.809  25.194  19.611
  186    HB2  ARG  26           HB2      ARG  26  33.661  23.322  18.488
  187    HB3  ARG  26           HB3      ARG  26  31.936  22.999  18.605
  188    HG2  ARG  26           HG2      ARG  26  31.639  23.751  16.297
  189    HG3  ARG  26           HG3      ARG  26  33.373  24.061  16.182
  190    HD2  ARG  26           HD2      ARG  26  33.783  21.667  16.679
  191    HD3  ARG  26           HD3      ARG  26  32.041  21.397  16.650
  192    HE   ARG  26           HE       ARG  26  32.743  22.612  14.246
  193   HH11  ARG  26          HH12      ARG  26  33.335  19.628  15.938
  194   HH12  ARG  26          HH11      ARG  26  33.542  18.697  14.491
  195   HH21  ARG  26          HH22      ARG  26  33.013  21.398  12.334
  196   HH22  ARG  26          HH21      ARG  26  33.359  19.705  12.442
  197    H    ASP  27           H        ASP  27  31.614  26.169  16.474
  198    HA   ASP  27           HA       ASP  27  33.934  26.873  15.161
  199    HB2  ASP  27           HB2      ASP  27  31.788  27.006  14.058
  200    HB3  ASP  27           HB3      ASP  27  31.253  28.272  15.160
  201    H    ILE  28           H        ILE  28  32.239  28.589  17.717
  202    HA   ILE  28           HA       ILE  28  33.441  31.071  17.595
  203    HB   ILE  28           HB       ILE  28  32.736  29.531  20.096
  204   HG12  ILE  28          HG12      ILE  28  31.066  31.621  18.708
  205   HG13  ILE  28          HG13      ILE  28  30.933  29.912  18.307
  206   HG21  ILE  28          HG21      ILE  28  33.702  32.273  19.616
  207   HG22  ILE  28          HG22      ILE  28  32.337  32.120  20.721
  208   HG23  ILE  28          HG23      ILE  28  33.837  31.254  21.049
  209   HD11  ILE  28          HD11      ILE  28  29.288  30.905  19.997
  210   HD12  ILE  28          HD12      ILE  28  30.063  29.370  20.391
  211   HD13  ILE  28          HD13      ILE  28  30.641  30.864  21.127
  212    H    GLY  29           H        GLY  29  34.795  28.031  18.589
  213    HA2  GLY  29           HA2      GLY  29  37.182  29.367  19.658
  214    HA3  GLY  29           HA3      GLY  29  36.781  27.667  19.855
  215    H    ILE  30           H        ILE  30  36.064  27.837  16.826
  216    HA   ILE  30           HA       ILE  30  38.790  27.217  15.939
  217    HB   ILE  30           HB       ILE  30  36.262  26.605  14.425
  218   HG12  ILE  30          HG12      ILE  30  37.664  24.875  16.474
  219   HG13  ILE  30          HG13      ILE  30  36.072  25.602  16.655
  220   HG21  ILE  30          HG21      ILE  30  37.644  25.750  12.915
  221   HG22  ILE  30          HG22      ILE  30  39.014  26.307  13.876
  222   HG23  ILE  30          HG23      ILE  30  38.355  24.691  14.133
  223   HD11  ILE  30          HD11      ILE  30  36.923  23.284  15.005
  224   HD12  ILE  30          HD12      ILE  30  35.512  23.478  16.044
  225   HD13  ILE  30          HD13      ILE  30  35.558  24.262  14.466
  226    H    SER  31           H        SER  31  36.870  29.819  15.976
  227    HA   SER  31           HA       SER  31  37.862  30.778  13.373
  228    HB2  SER  31           HB2      SER  31  35.158  30.654  14.328
  229    HB3  SER  31           HB3      SER  31  35.622  32.343  14.121
  230    HG   SER  31           HG       SER  31  35.472  32.055  12.056
  231    H    ASP  32           H        ASP  32  38.264  31.015  16.585
  232    HA   ASP  32           HA       ASP  32  38.195  33.671  17.300
  233    HB2  ASP  32           HB2      ASP  32  39.461  31.287  18.268
  234    HB3  ASP  32           HB3      ASP  32  40.602  32.625  18.368
  235    HA   PRO  33           HA       PRO  33  41.176  35.837  14.919
  236    HB2  PRO  33           HB2      PRO  33  42.084  37.653  16.720
  237    HB3  PRO  33           HB3      PRO  33  40.476  37.744  15.991
  238    HG2  PRO  33           HG2      PRO  33  41.282  36.689  18.674
  239    HG3  PRO  33           HG3      PRO  33  39.898  37.711  18.243
  240    HD2  PRO  33           HD2      PRO  33  39.670  35.043  18.647
  241    HD3  PRO  33           HD3      PRO  33  38.654  35.924  17.488
  242    H    GLN  34           H        GLN  34  42.156  34.380  17.935
  243    HA   GLN  34           HA       GLN  34  44.972  34.776  17.508
  244    HB2  GLN  34           HB2      GLN  34  43.534  32.939  19.431
  245    HB3  GLN  34           HB3      GLN  34  45.251  33.320  19.468
  246    HG2  GLN  34           HG2      GLN  34  44.585  35.732  19.769
  247    HG3  GLN  34           HG3      GLN  34  42.939  35.153  20.022
  248   HE21  GLN  34          HE21      GLN  34  42.507  33.831  21.838
  249   HE22  GLN  34          HE22      GLN  34  43.530  33.871  23.229
  250    H    HIS  35           H        HIS  35  42.779  32.863  16.002
  251    HA   HIS  35           HA       HIS  35  44.334  30.440  15.818
  252    HB2  HIS  35           HB2      HIS  35  41.671  31.068  15.407
  253    HB3  HIS  35           HB3      HIS  35  42.279  30.809  13.775
  254    HD1  HIS  35           HD1      HIS  35  40.257  28.848  14.895
  255    HD2  HIS  35           HD2      HIS  35  44.364  28.354  15.277
  256    HE1  HIS  35           HE1      HIS  35  40.607  26.385  15.261
  257    H    ARG  36           H        ARG  36  43.541  33.158  13.678
  258    HA   ARG  36           HA       ARG  36  44.993  32.220  11.445
  259    HB2  ARG  36           HB2      ARG  36  44.906  34.635  10.716
  260    HB3  ARG  36           HB3      ARG  36  43.350  33.899  11.078
  261    HG2  ARG  36           HG2      ARG  36  43.134  35.077  13.091
  262    HG3  ARG  36           HG3      ARG  36  44.842  35.521  13.110
  263    HD2  ARG  36           HD2      ARG  36  44.271  37.444  12.153
  264    HD3  ARG  36           HD3      ARG  36  43.856  36.528  10.705
  265    HE   ARG  36           HE       ARG  36  42.032  37.696  12.609
  266   HH11  ARG  36          HH12      ARG  36  42.460  35.327  10.094
  267   HH12  ARG  36          HH11      ARG  36  40.774  35.243   9.706
  268   HH21  ARG  36          HH22      ARG  36  39.809  37.595  12.106
  269   HH22  ARG  36          HH21      ARG  36  39.267  36.535  10.850
  270    H    ARG  37           H        ARG  37  45.892  34.114  14.257
  271    HA   ARG  37           HA       ARG  37  48.490  34.805  13.234
  272    HB2  ARG  37           HB2      ARG  37  48.856  35.893  15.307
  273    HB3  ARG  37           HB3      ARG  37  47.161  36.157  14.918
  274    HG2  ARG  37           HG2      ARG  37  46.771  35.489  17.008
  275    HG3  ARG  37           HG3      ARG  37  47.056  33.860  16.391
  276    HD2  ARG  37           HD2      ARG  37  48.653  33.733  17.951
  277    HD3  ARG  37           HD3      ARG  37  49.596  34.766  16.879
  278    HE   ARG  37           HE       ARG  37  48.128  36.510  18.370
  279   HH11  ARG  37          HH12      ARG  37  50.330  33.915  19.099
  280   HH12  ARG  37          HH11      ARG  37  50.884  34.626  20.579
  281   HH21  ARG  37          HH22      ARG  37  48.848  37.456  20.316
  282   HH22  ARG  37          HH21      ARG  37  50.039  36.640  21.271
  283    H    LYS  38           H        LYS  38  47.099  32.177  14.988
  284    HA   LYS  38           HA       LYS  38  49.678  31.187  15.904
  285    HB2  LYS  38           HB2      LYS  38  46.827  30.368  16.317
  286    HB3  LYS  38           HB3      LYS  38  48.112  29.210  16.632
  287    HG2  LYS  38           HG2      LYS  38  49.132  30.847  18.192
  288    HG3  LYS  38           HG3      LYS  38  47.732  31.893  17.944
  289    HD2  LYS  38           HD2      LYS  38  46.463  29.624  18.573
  290    HD3  LYS  38           HD3      LYS  38  47.971  29.352  19.449
  291    HE2  LYS  38           HE2      LYS  38  47.570  31.803  20.281
  292    HE3  LYS  38           HE3      LYS  38  45.898  31.464  19.838
  293    HZ1  LYS  38           HZ1      LYS  38  45.694  29.874  21.452
  294    HZ2  LYS  38           HZ2      LYS  38  46.753  30.945  22.221
  295    HZ3  LYS  38           HZ3      LYS  38  47.351  29.533  21.506
  296    H    LEU  39           H        LEU  39  47.522  30.799  13.257
  297    HA   LEU  39           HA       LEU  39  48.664  28.239  12.463
  298    HB2  LEU  39           HB2      LEU  39  46.183  29.076  12.226
  299    HB3  LEU  39           HB3      LEU  39  46.798  29.802  10.742
  300    HG   LEU  39           HG       LEU  39  47.640  27.409  10.209
  301   HD11  LEU  39          HD11      LEU  39  45.390  26.224  11.544
  302   HD12  LEU  39          HD12      LEU  39  46.493  26.942  12.717
  303   HD13  LEU  39          HD13      LEU  39  47.087  25.745  11.566
  304   HD21  LEU  39          HD21      LEU  39  45.706  27.008   8.966
  305   HD22  LEU  39          HD22      LEU  39  45.721  28.759   9.174
  306   HD23  LEU  39          HD23      LEU  39  44.661  27.761  10.171
  307    H    LEU  40           H        LEU  40  49.051  31.600  11.844
  308    HA   LEU  40           HA       LEU  40  50.189  31.436   9.252
  309    HB2  LEU  40           HB2      LEU  40  49.562  33.456  11.125
  310    HB3  LEU  40           HB3      LEU  40  51.269  33.632  10.726
  311    HG   LEU  40           HG       LEU  40  49.989  35.062   9.294
  312   HD11  LEU  40          HD11      LEU  40  51.928  33.709   8.372
  313   HD12  LEU  40          HD12      LEU  40  50.812  34.399   7.195
  314   HD13  LEU  40          HD13      LEU  40  50.713  32.686   7.605
  315   HD21  LEU  40          HD21      LEU  40  48.410  32.583   8.626
  316   HD22  LEU  40          HD22      LEU  40  48.312  34.094   7.722
  317   HD23  LEU  40          HD23      LEU  40  47.825  34.047   9.417
  318    H    GLN  41           H        GLN  41  51.729  31.928  12.435
  319    HA   GLN  41           HA       GLN  41  54.364  31.589  11.462
  320    HB2  GLN  41           HB2      GLN  41  53.070  31.801  14.120
  321    HB3  GLN  41           HB3      GLN  41  54.645  31.019  14.080
  322    HG2  GLN  41           HG2      GLN  41  55.722  32.933  13.348
  323    HG3  GLN  41           HG3      GLN  41  54.234  33.659  12.743
  324   HE21  GLN  41          HE21      GLN  41  55.725  35.260  14.189
  325   HE22  GLN  41          HE22      GLN  41  55.091  35.482  15.780
  326    H    ALA  42           H        ALA  42  51.893  29.371  12.378
  327    HA   ALA  42           HA       ALA  42  53.679  27.149  12.833
  328    HB1  ALA  42           HB1      ALA  42  51.549  27.308  14.031
  329    HB2  ALA  42           HB2      ALA  42  50.682  27.179  12.500
  330    HB3  ALA  42           HB3      ALA  42  51.653  25.826  13.080
  331    H    ALA  43           H        ALA  43  51.829  28.474  10.187
  332    HA   ALA  43           HA       ALA  43  52.275  26.136   8.515
  333    HB1  ALA  43           HB1      ALA  43  50.894  28.756   7.952
  334    HB2  ALA  43           HB2      ALA  43  51.010  27.414   6.813
  335    HB3  ALA  43           HB3      ALA  43  50.129  27.212   8.327
  336    H    ARG  44           H        ARG  44  53.682  29.225   9.131
  337    HA   ARG  44           HA       ARG  44  55.019  29.579   6.654
  338    HB2  ARG  44           HB2      ARG  44  55.287  30.740   9.397
  339    HB3  ARG  44           HB3      ARG  44  56.571  31.015   8.227
  340    HG2  ARG  44           HG2      ARG  44  54.210  31.577   6.856
  341    HG3  ARG  44           HG3      ARG  44  54.001  32.283   8.460
  342    HD2  ARG  44           HD2      ARG  44  56.411  33.190   8.074
  343    HD3  ARG  44           HD3      ARG  44  56.056  32.884   6.374
  344    HE   ARG  44           HE       ARG  44  54.684  34.710   6.377
  345   HH11  ARG  44          HH12      ARG  44  55.264  33.730   9.667
  346   HH12  ARG  44          HH11      ARG  44  54.468  35.106  10.355
  347   HH21  ARG  44          HH22      ARG  44  53.633  36.527   7.272
  348   HH22  ARG  44          HH21      ARG  44  53.539  36.696   8.992
  349    HN1  NH2  45           HN1      NH2  45  55.813  27.902   9.654
  350    HN2  NH2  45           HN2      NH2  45  57.302  27.205   9.108
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1   8.357   7.713  -5.071
    2    H2   ACE   1           H2       ACE   1  10.012   7.502  -4.451
    3    H3   ACE   1           H3       ACE   1   9.544   6.769  -6.004
    4    H    SER   2           H        SER   2   8.621   6.832  -2.592
    5    HA   SER   2           HA       SER   2   7.498   4.167  -2.766
    6    HB2  SER   2           HB2      SER   2  10.197   4.676  -1.741
    7    HB3  SER   2           HB3      SER   2   9.167   3.806  -0.604
    8    HG   SER   2           HG       SER   2  10.442   2.782  -2.616
    9    H    LYS   3           H        LYS   3   7.022   3.438  -0.337
   10    HA   LYS   3           HA       LYS   3   5.498   5.651   0.808
   11    HB2  LYS   3           HB2      LYS   3   5.110   2.812   0.554
   12    HB3  LYS   3           HB3      LYS   3   5.006   3.273   2.248
   13    HG2  LYS   3           HG2      LYS   3   3.525   4.964   0.334
   14    HG3  LYS   3           HG3      LYS   3   2.921   3.324   0.577
   15    HD2  LYS   3           HD2      LYS   3   1.856   4.153   2.361
   16    HD3  LYS   3           HD3      LYS   3   3.439   4.177   3.141
   17    HE2  LYS   3           HE2      LYS   3   3.571   6.503   1.828
   18    HE3  LYS   3           HE3      LYS   3   1.823   6.399   2.035
   19    HZ1  LYS   3           HZ1      LYS   3   2.015   6.935   4.163
   20    HZ2  LYS   3           HZ2      LYS   3   3.650   7.273   3.891
   21    HZ3  LYS   3           HZ3      LYS   3   3.183   5.743   4.443
   22    H    LEU   4           H        LEU   4   8.518   4.737   1.148
   23    HA   LEU   4           HA       LEU   4   8.535   4.987   4.084
   24    HB2  LEU   4           HB2      LEU   4   9.541   2.926   2.795
   25    HB3  LEU   4           HB3      LEU   4  10.905   4.017   2.560
   26    HG   LEU   4           HG       LEU   4  10.922   4.284   5.094
   27   HD11  LEU   4          HD11      LEU   4   9.718   2.893   6.450
   28   HD12  LEU   4          HD12      LEU   4   9.542   1.652   5.210
   29   HD13  LEU   4          HD13      LEU   4   8.565   3.118   5.134
   30   HD21  LEU   4          HD21      LEU   4  12.680   3.071   4.138
   31   HD22  LEU   4          HD22      LEU   4  11.625   1.738   3.667
   32   HD23  LEU   4          HD23      LEU   4  12.019   1.992   5.368
   33    H    LEU   5           H        LEU   5   8.405   7.132   2.046
   34    HA   LEU   5           HA       LEU   5  11.016   8.415   2.324
   35    HB2  LEU   5           HB2      LEU   5   8.811   8.569   0.451
   36    HB3  LEU   5           HB3      LEU   5   9.315  10.166   1.000
   37    HG   LEU   5           HG       LEU   5  10.385   9.411  -1.121
   38   HD11  LEU   5          HD11      LEU   5  12.623   9.631   0.790
   39   HD12  LEU   5          HD12      LEU   5  11.405  10.905   0.855
   40   HD13  LEU   5          HD13      LEU   5  12.260  10.578  -0.652
   41   HD21  LEU   5          HD21      LEU   5  11.745   7.420   0.693
   42   HD22  LEU   5          HD22      LEU   5  12.169   7.742  -0.989
   43   HD23  LEU   5          HD23      LEU   5  10.599   7.041  -0.593
   44    H    LEU   6           H        LEU   6   7.716   8.663   3.436
   45    HA   LEU   6           HA       LEU   6   7.888  11.270   4.533
   46    HB2  LEU   6           HB2      LEU   6   6.021   9.004   4.644
   47    HB3  LEU   6           HB3      LEU   6   6.007  10.048   6.064
   48    HG   LEU   6           HG       LEU   6   5.858  11.464   3.493
   49   HD11  LEU   6          HD11      LEU   6   3.752   9.503   4.343
   50   HD12  LEU   6          HD12      LEU   6   4.486   9.717   2.754
   51   HD13  LEU   6          HD13      LEU   6   3.367  10.929   3.379
   52   HD21  LEU   6          HD21      LEU   6   3.957  11.648   5.798
   53   HD22  LEU   6          HD22      LEU   6   4.482  12.906   4.678
   54   HD23  LEU   6          HD23      LEU   6   5.585  12.316   5.922
   55    H    ASN   7           H        ASN   7   8.032   8.063   6.090
   56    HA   ASN   7           HA       ASN   7   8.622   8.945   8.665
   57    HB2  ASN   7           HB2      ASN   7   9.709   6.388   7.491
   58    HB3  ASN   7           HB3      ASN   7   9.241   6.706   9.159
   59   HD21  ASN   7          HD21      ASN   7   7.005   6.922   9.648
   60   HD22  ASN   7          HD22      ASN   7   5.814   6.168   8.648
   61    H    GLY   8           H        GLY   8  10.659   8.621   5.861
   62    HA2  GLY   8           HA2      GLY   8  13.107   8.914   7.408
   63    HA3  GLY   8           HA3      GLY   8  12.989   8.736   5.664
   64    H    PHE   9           H        PHE   9  10.875  10.922   5.705
   65    HA   PHE   9           HA       PHE   9  12.732  13.096   5.324
   66    HB2  PHE   9           HB2      PHE   9  10.834  12.701   3.773
   67    HB3  PHE   9           HB3      PHE   9   9.717  13.083   5.079
   68    HD1  PHE   9           HD2      PHE   9  12.722  14.587   3.450
   69    HD2  PHE   9           HD1      PHE   9   8.842  15.196   5.091
   70    HE1  PHE   9           HE2      PHE   9  12.847  16.970   2.851
   71    HE2  PHE   9           HE1      PHE   9   8.960  17.580   4.493
   72    HZ   PHE   9           HZ       PHE   9  10.965  18.470   3.373
   73    H    ASP  10           H        ASP  10  10.785  11.941   7.858
   74    HA   ASP  10           HA       ASP  10  10.381  14.482   9.157
   75    HB2  ASP  10           HB2      ASP  10   8.964  12.277   9.335
   76    HB3  ASP  10           HB3      ASP  10  10.134  11.861  10.584
   77    H    ASP  11           H        ASP  11  12.804  12.025   9.106
   78    HA   ASP  11           HA       ASP  11  14.047  12.960  11.567
   79    HB2  ASP  11           HB2      ASP  11  14.147  10.548   9.977
   80    HB3  ASP  11           HB3      ASP  11  15.772  11.151  10.289
   81    H    VAL  12           H        VAL  12  14.468  13.157   8.102
   82    HA   VAL  12           HA       VAL  12  17.104  14.270   8.199
   83    HB   VAL  12           HB       VAL  12  16.100  13.059   6.218
   84   HG11  VAL  12          HG11      VAL  12  14.952  15.628   5.287
   85   HG12  VAL  12          HG12      VAL  12  14.480  13.970   4.909
   86   HG13  VAL  12          HG13      VAL  12  14.012  14.693   6.449
   87   HG21  VAL  12          HG21      VAL  12  16.996  15.094   4.655
   88   HG22  VAL  12          HG22      VAL  12  17.696  15.523   6.216
   89   HG23  VAL  12          HG23      VAL  12  18.037  13.948   5.500
   90    H    HIS  13           H        HIS  13  13.867  15.531   8.339
   91    HA   HIS  13           HA       HIS  13  14.420  18.207   7.627
   92    HB2  HIS  13           HB2      HIS  13  12.151  16.784   8.204
   93    HB3  HIS  13           HB3      HIS  13  12.295  17.819   9.621
   94    HD1  HIS  13           HD1      HIS  13  11.353  20.099   9.383
   95    HD2  HIS  13           HD2      HIS  13  12.181  18.366   5.699
   96    HE1  HIS  13           HE1      HIS  13  10.486  21.721   7.667
   97    H    PHE  14           H        PHE  14  14.929  16.395  10.531
   98    HA   PHE  14           HA       PHE  14  15.304  18.759  12.171
   99    HB2  PHE  14           HB2      PHE  14  14.350  16.445  12.912
  100    HB3  PHE  14           HB3      PHE  14  16.044  15.981  13.029
  101    HD1  PHE  14           HD1      PHE  14  14.154  19.070  13.933
  102    HD2  PHE  14           HD2      PHE  14  16.718  15.924  15.217
  103    HE1  PHE  14           HE1      PHE  14  14.272  20.084  16.172
  104    HE2  PHE  14           HE2      PHE  14  16.839  16.932  17.458
  105    HZ   PHE  14           HZ       PHE  14  15.615  19.014  17.938
  106    H    LEU  15           H        LEU  15  17.260  16.208  10.705
  107    HA   LEU  15           HA       LEU  15  19.727  16.850  11.835
  108    HB2  LEU  15           HB2      LEU  15  18.770  15.355   9.505
  109    HB3  LEU  15           HB3      LEU  15  20.397  16.009   9.325
  110    HG   LEU  15           HG       LEU  15  20.305  13.657  10.148
  111   HD11  LEU  15          HD11      LEU  15  22.245  13.980  11.214
  112   HD12  LEU  15          HD12      LEU  15  21.522  15.053  12.412
  113   HD13  LEU  15          HD13      LEU  15  21.994  15.684  10.834
  114   HD21  LEU  15          HD21      LEU  15  18.291  13.898  11.540
  115   HD22  LEU  15          HD22      LEU  15  19.198  14.926  12.651
  116   HD23  LEU  15          HD23      LEU  15  19.653  13.234  12.443
  117    H    GLY  16           H        GLY  16  17.964  18.329   9.202
  118    HA2  GLY  16           HA2      GLY  16  20.127  19.834   8.133
  119    HA3  GLY  16           HA3      GLY  16  18.418  20.153   7.876
  120    H    SER  17           H        SER  17  17.731  20.490  10.636
  121    HA   SER  17           HA       SER  17  18.613  23.226  10.948
  122    HB2  SER  17           HB2      SER  17  16.363  23.113  11.439
  123    HB3  SER  17           HB3      SER  17  16.492  21.511  12.164
  124    HG   SER  17           HG       SER  17  16.184  22.925  13.828
  125    H    ASN  18           H        ASN  18  19.467  20.157  12.177
  126    HA   ASN  18           HA       ASN  18  20.672  21.228  14.602
  127    HB2  ASN  18           HB2      ASN  18  19.704  18.674  13.775
  128    HB3  ASN  18           HB3      ASN  18  21.411  18.510  14.174
  129   HD21  ASN  18          HD21      ASN  18  18.851  17.653  15.501
  130   HD22  ASN  18          HD22      ASN  18  19.010  18.205  17.131
  131    H    VAL  19           H        VAL  19  21.611  19.916  11.476
  132    HA   VAL  19           HA       VAL  19  24.370  19.681  11.933
  133    HB   VAL  19           HB       VAL  19  23.067  18.796   9.943
  134   HG11  VAL  19          HG11      VAL  19  22.250  21.291   9.539
  135   HG12  VAL  19          HG12      VAL  19  23.682  21.318   8.509
  136   HG13  VAL  19          HG13      VAL  19  22.410  20.130   8.222
  137   HG21  VAL  19          HG21      VAL  19  25.356  18.439   9.838
  138   HG22  VAL  19          HG22      VAL  19  25.038  19.326   8.348
  139   HG23  VAL  19          HG23      VAL  19  25.723  20.161   9.742
  140    H    MET  20           H        MET  20  22.362  22.438  11.241
  141    HA   MET  20           HA       MET  20  24.495  24.183  10.472
  142    HB2  MET  20           HB2      MET  20  22.883  25.864  10.317
  143    HB3  MET  20           HB3      MET  20  21.980  24.403   9.942
  144    HG2  MET  20           HG2      MET  20  21.419  24.398  12.468
  145    HG3  MET  20           HG3      MET  20  21.906  26.090  12.403
  146    HE1  MET  20           HE1      MET  20  18.523  26.768  12.831
  147    HE2  MET  20           HE2      MET  20  18.155  25.049  12.690
  148    HE3  MET  20           HE3      MET  20  19.599  25.574  13.557
  149    H    GLU  21           H        GLU  21  22.873  23.374  13.476
  150    HA   GLU  21           HA       GLU  21  23.941  25.498  15.021
  151    HB2  GLU  21           HB2      GLU  21  22.006  24.373  15.847
  152    HB3  GLU  21           HB3      GLU  21  22.802  22.808  15.768
  153    HG2  GLU  21           HG2      GLU  21  22.664  23.517  18.053
  154    HG3  GLU  21           HG3      GLU  21  24.350  23.535  17.540
  155    H    GLU  22           H        GLU  22  24.965  22.151  14.471
  156    HA   GLU  22           HA       GLU  22  27.186  22.255  16.238
  157    HB2  GLU  22           HB2      GLU  22  27.909  20.182  15.083
  158    HB3  GLU  22           HB3      GLU  22  26.237  20.122  15.625
  159    HG2  GLU  22           HG2      GLU  22  25.494  20.647  13.348
  160    HG3  GLU  22           HG3      GLU  22  27.174  20.658  12.815
  161    H    GLN  23           H        GLN  23  26.682  23.206  12.939
  162    HA   GLN  23           HA       GLN  23  29.470  23.342  12.261
  163    HB2  GLN  23           HB2      GLN  23  26.982  23.552  10.882
  164    HB3  GLN  23           HB3      GLN  23  27.921  25.000  10.544
  165    HG2  GLN  23           HG2      GLN  23  29.792  23.618   9.806
  166    HG3  GLN  23           HG3      GLN  23  28.854  22.165  10.149
  167   HE21  GLN  23          HE21      GLN  23  26.560  22.332   9.086
  168   HE22  GLN  23          HE22      GLN  23  26.582  22.752   7.410
  169    H    ASP  24           H        ASP  24  27.002  25.588  13.376
  170    HA   ASP  24           HA       ASP  24  28.665  27.909  13.083
  171    HB2  ASP  24           HB2      ASP  24  26.025  27.660  13.204
  172    HB3  ASP  24           HB3      ASP  24  26.318  27.896  14.925
  173    H    LEU  25           H        LEU  25  28.312  25.446  15.426
  174    HA   LEU  25           HA       LEU  25  29.362  27.039  17.613
  175    HB2  LEU  25           HB2      LEU  25  27.887  24.640  17.371
  176    HB3  LEU  25           HB3      LEU  25  29.411  24.236  18.159
  177    HG   LEU  25           HG       LEU  25  28.958  25.805  19.936
  178   HD11  LEU  25          HD11      LEU  25  27.719  27.596  19.510
  179   HD12  LEU  25          HD12      LEU  25  26.297  26.557  19.577
  180   HD13  LEU  25          HD13      LEU  25  27.082  26.876  18.031
  181   HD21  LEU  25          HD21      LEU  25  26.364  24.362  19.606
  182   HD22  LEU  25          HD22      LEU  25  27.359  24.569  21.047
  183   HD23  LEU  25          HD23      LEU  25  27.861  23.447  19.782
  184    H    ARG  26           H        ARG  26  30.518  24.916  15.148
  185    HA   ARG  26           HA       ARG  26  33.070  24.477  16.473
  186    HB2  ARG  26           HB2      ARG  26  33.591  22.997  14.686
  187    HB3  ARG  26           HB3      ARG  26  31.907  22.705  15.101
  188    HG2  ARG  26           HG2      ARG  26  31.141  23.871  13.184
  189    HG3  ARG  26           HG3      ARG  26  32.753  24.503  12.847
  190    HD2  ARG  26           HD2      ARG  26  32.985  22.772  11.458
  191    HD3  ARG  26           HD3      ARG  26  33.143  21.778  12.906
  192    HE   ARG  26           HE       ARG  26  30.863  21.933  11.133
  193   HH11  ARG  26          HH12      ARG  26  32.066  20.968  14.254
  194   HH12  ARG  26          HH11      ARG  26  30.798  19.821  14.534
  195   HH21  ARG  26          HH22      ARG  26  29.188  20.425  11.489
  196   HH22  ARG  26          HH21      ARG  26  29.162  19.512  12.960
  197    H    ASP  27           H        ASP  27  31.664  26.473  13.992
  198    HA   ASP  27           HA       ASP  27  34.043  27.315  12.729
  199    HB2  ASP  27           HB2      ASP  27  31.674  27.614  11.876
  200    HB3  ASP  27           HB3      ASP  27  31.523  28.954  13.009
  201    H    ILE  28           H        ILE  28  32.301  28.475  15.557
  202    HA   ILE  28           HA       ILE  28  33.555  30.916  15.954
  203    HB   ILE  28           HB       ILE  28  32.665  28.955  18.072
  204   HG12  ILE  28          HG12      ILE  28  31.132  31.353  17.099
  205   HG13  ILE  28          HG13      ILE  28  31.002  29.803  16.274
  206   HG21  ILE  28          HG21      ILE  28  32.318  31.427  19.135
  207   HG22  ILE  28          HG22      ILE  28  33.722  30.401  19.426
  208   HG23  ILE  28          HG23      ILE  28  33.791  31.662  18.195
  209   HD11  ILE  28          HD11      ILE  28  29.563  30.684  18.498
  210   HD12  ILE  28          HD12      ILE  28  29.557  29.074  17.777
  211   HD13  ILE  28          HD13      ILE  28  30.666  29.445  19.096
  212    H    GLY  29           H        GLY  29  34.776  27.698  16.396
  213    HA2  GLY  29           HA2      GLY  29  37.082  28.645  17.922
  214    HA3  GLY  29           HA3      GLY  29  36.696  26.970  17.554
  215    H    ILE  30           H        ILE  30  36.224  27.889  14.675
  216    HA   ILE  30           HA       ILE  30  38.998  27.539  13.851
  217    HB   ILE  30           HB       ILE  30  36.506  27.566  12.145
  218   HG12  ILE  30          HG12      ILE  30  38.073  25.175  13.129
  219   HG13  ILE  30          HG13      ILE  30  36.592  25.749  13.887
  220   HG21  ILE  30          HG21      ILE  30  37.951  27.657  10.457
  221   HG22  ILE  30          HG22      ILE  30  39.328  27.473  11.542
  222   HG23  ILE  30          HG23      ILE  30  38.492  26.046  10.931
  223   HD11  ILE  30          HD11      ILE  30  36.046  23.928  12.458
  224   HD12  ILE  30          HD12      ILE  30  35.435  25.405  11.710
  225   HD13  ILE  30          HD13      ILE  30  36.914  24.657  11.106
  226    H    SER  31           H        SER  31  36.702  30.027  14.175
  227    HA   SER  31           HA       SER  31  38.178  31.754  12.306
  228    HB2  SER  31           HB2      SER  31  35.378  31.440  12.863
  229    HB3  SER  31           HB3      SER  31  35.866  33.091  13.245
  230    HG   SER  31           HG       SER  31  35.723  33.383  11.171
  231    H    ASP  32           H        ASP  32  38.161  30.960  15.463
  232    HA   ASP  32           HA       ASP  32  38.021  33.275  16.948
  233    HB2  ASP  32           HB2      ASP  32  39.116  30.644  17.286
  234    HB3  ASP  32           HB3      ASP  32  40.240  31.828  17.946
  235    HA   PRO  33           HA       PRO  33  41.335  35.893  15.761
  236    HB2  PRO  33           HB2      PRO  33  42.022  37.007  18.139
  237    HB3  PRO  33           HB3      PRO  33  40.529  37.412  17.284
  238    HG2  PRO  33           HG2      PRO  33  40.949  35.534  19.577
  239    HG3  PRO  33           HG3      PRO  33  39.653  36.717  19.323
  240    HD2  PRO  33           HD2      PRO  33  39.328  34.074  18.836
  241    HD3  PRO  33           HD3      PRO  33  38.492  35.327  17.897
  242    H    GLN  34           H        GLN  34  42.046  34.091  18.756
  243    HA   GLN  34           HA       GLN  34  44.804  34.270  18.722
  244    HB2  GLN  34           HB2      GLN  34  42.996  32.058  19.690
  245    HB3  GLN  34           HB3      GLN  34  44.735  32.045  19.948
  246    HG2  GLN  34           HG2      GLN  34  43.443  34.533  20.763
  247    HG3  GLN  34           HG3      GLN  34  42.885  33.111  21.644
  248   HE21  GLN  34          HE21      GLN  34  43.843  33.895  23.541
  249   HE22  GLN  34          HE22      GLN  34  45.550  33.812  23.794
  250    H    HIS  35           H        HIS  35  42.700  32.350  16.741
  251    HA   HIS  35           HA       HIS  35  44.357  30.320  15.875
  252    HB2  HIS  35           HB2      HIS  35  41.866  31.205  15.184
  253    HB3  HIS  35           HB3      HIS  35  42.785  31.582  13.729
  254    HD1  HIS  35           HD1      HIS  35  40.631  29.460  13.561
  255    HD2  HIS  35           HD2      HIS  35  44.590  28.614  14.491
  256    HE1  HIS  35           HE1      HIS  35  40.957  27.038  12.970
  257    H    ARG  36           H        ARG  36  44.256  33.688  14.834
  258    HA   ARG  36           HA       ARG  36  45.981  33.480  12.634
  259    HB2  ARG  36           HB2      ARG  36  46.159  35.842  12.714
  260    HB3  ARG  36           HB3      ARG  36  44.538  35.459  13.278
  261    HG2  ARG  36           HG2      ARG  36  45.089  36.947  14.881
  262    HG3  ARG  36           HG3      ARG  36  45.795  35.514  15.631
  263    HD2  ARG  36           HD2      ARG  36  47.714  36.644  15.696
  264    HD3  ARG  36           HD3      ARG  36  47.787  36.430  13.947
  265    HE   ARG  36           HE       ARG  36  46.249  38.660  14.311
  266   HH11  ARG  36          HH12      ARG  36  49.449  37.678  15.268
  267   HH12  ARG  36          HH11      ARG  36  50.085  39.290  15.265
  268   HH21  ARG  36          HH22      ARG  36  47.075  40.786  14.305
  269   HH22  ARG  36          HH21      ARG  36  48.734  41.057  14.719
  270    H    ARG  37           H        ARG  37  46.603  33.713  16.068
  271    HA   ARG  37           HA       ARG  37  49.406  34.251  15.787
  272    HB2  ARG  37           HB2      ARG  37  47.501  33.849  17.991
  273    HB3  ARG  37           HB3      ARG  37  49.125  33.262  18.321
  274    HG2  ARG  37           HG2      ARG  37  49.404  35.809  17.151
  275    HG3  ARG  37           HG3      ARG  37  48.134  35.933  18.370
  276    HD2  ARG  37           HD2      ARG  37  49.553  35.503  20.091
  277    HD3  ARG  37           HD3      ARG  37  50.571  34.436  19.125
  278    HE   ARG  37           HE       ARG  37  51.902  36.225  18.638
  279   HH11  ARG  37          HH12      ARG  37  48.822  37.392  19.766
  280   HH12  ARG  37          HH11      ARG  37  49.317  39.052  19.801
  281   HH21  ARG  37          HH22      ARG  37  52.566  38.407  18.679
  282   HH22  ARG  37          HH21      ARG  37  51.446  39.629  19.181
  283    H    LYS  38           H        LYS  38  47.399  31.403  16.149
  284    HA   LYS  38           HA       LYS  38  49.636  29.631  16.576
  285    HB2  LYS  38           HB2      LYS  38  46.772  28.945  15.891
  286    HB3  LYS  38           HB3      LYS  38  47.987  27.849  16.535
  287    HG2  LYS  38           HG2      LYS  38  47.635  30.178  18.219
  288    HG3  LYS  38           HG3      LYS  38  46.127  29.292  17.982
  289    HD2  LYS  38           HD2      LYS  38  46.897  27.426  19.051
  290    HD3  LYS  38           HD3      LYS  38  48.574  27.721  18.588
  291    HE2  LYS  38           HE2      LYS  38  48.225  29.822  20.183
  292    HE3  LYS  38           HE3      LYS  38  47.021  28.752  20.898
  293    HZ1  LYS  38           HZ1      LYS  38  48.850  28.142  22.075
  294    HZ2  LYS  38           HZ2      LYS  38  49.933  28.486  20.823
  295    HZ3  LYS  38           HZ3      LYS  38  49.013  27.067  20.779
  296    H    LEU  39           H        LEU  39  47.907  30.917  13.886
  297    HA   LEU  39           HA       LEU  39  48.857  28.866  12.055
  298    HB2  LEU  39           HB2      LEU  39  46.581  30.153  12.012
  299    HB3  LEU  39           HB3      LEU  39  47.521  31.390  11.181
  300    HG   LEU  39           HG       LEU  39  48.189  29.335   9.648
  301   HD11  LEU  39          HD11      LEU  39  45.908  28.382  11.221
  302   HD12  LEU  39          HD12      LEU  39  47.113  27.481  10.303
  303   HD13  LEU  39          HD13      LEU  39  45.729  28.196   9.477
  304   HD21  LEU  39          HD21      LEU  39  46.515  30.040   8.096
  305   HD22  LEU  39          HD22      LEU  39  47.035  31.455   9.010
  306   HD23  LEU  39          HD23      LEU  39  45.501  30.673   9.393
  307    H    LEU  40           H        LEU  40  49.771  31.980  13.194
  308    HA   LEU  40           HA       LEU  40  51.346  32.775  10.959
  309    HB2  LEU  40           HB2      LEU  40  50.669  33.799  13.556
  310    HB3  LEU  40           HB3      LEU  40  52.402  33.959  13.275
  311    HG   LEU  40           HG       LEU  40  50.585  34.890  11.122
  312   HD11  LEU  40          HD11      LEU  40  50.781  37.146  12.592
  313   HD12  LEU  40          HD12      LEU  40  50.561  35.947  13.865
  314   HD13  LEU  40          HD13      LEU  40  49.366  36.094  12.577
  315   HD21  LEU  40          HD21      LEU  40  52.820  35.200  10.609
  316   HD22  LEU  40          HD22      LEU  40  53.250  35.618  12.268
  317   HD23  LEU  40          HD23      LEU  40  52.363  36.770  11.269
  318    H    GLN  41           H        GLN  41  52.190  31.396  14.134
  319    HA   GLN  41           HA       GLN  41  54.950  31.126  13.548
  320    HB2  GLN  41           HB2      GLN  41  53.159  29.914  15.642
  321    HB3  GLN  41           HB3      GLN  41  54.865  29.503  15.531
  322    HG2  GLN  41           HG2      GLN  41  54.824  32.274  15.483
  323    HG3  GLN  41           HG3      GLN  41  53.593  31.834  16.665
  324   HE21  GLN  41          HE21      GLN  41  56.801  32.462  16.232
  325   HE22  GLN  41          HE22      GLN  41  57.433  31.703  17.649
  326    H    ALA  42           H        ALA  42  52.172  29.207  12.832
  327    HA   ALA  42           HA       ALA  42  53.683  26.798  12.292
  328    HB1  ALA  42           HB1      ALA  42  51.336  26.796  13.177
  329    HB2  ALA  42           HB2      ALA  42  50.809  27.352  11.588
  330    HB3  ALA  42           HB3      ALA  42  51.599  25.784  11.756
  331    H    ALA  43           H        ALA  43  52.170  29.411  10.475
  332    HA   ALA  43           HA       ALA  43  52.740  28.213   7.917
  333    HB1  ALA  43           HB1      ALA  43  51.973  31.079   8.388
  334    HB2  ALA  43           HB2      ALA  43  51.695  30.088   6.956
  335    HB3  ALA  43           HB3      ALA  43  50.797  29.766   8.439
  336    H    ARG  44           H        ARG  44  54.364  30.291  10.139
  337    HA   ARG  44           HA       ARG  44  56.158  31.464   8.231
  338    HB2  ARG  44           HB2      ARG  44  55.798  32.744  10.180
  339    HB3  ARG  44           HB3      ARG  44  56.073  31.366  11.237
  340    HG2  ARG  44           HG2      ARG  44  58.317  31.603  11.191
  341    HG3  ARG  44           HG3      ARG  44  58.334  32.166   9.519
  342    HD2  ARG  44           HD2      ARG  44  56.997  34.158  10.931
  343    HD3  ARG  44           HD3      ARG  44  58.331  33.682  11.981
  344    HE   ARG  44           HE       ARG  44  58.509  35.125   9.522
  345   HH11  ARG  44          HH12      ARG  44  60.182  32.891  11.603
  346   HH12  ARG  44          HH11      ARG  44  61.758  33.351  11.048
  347   HH21  ARG  44          HH22      ARG  44  60.578  35.740   8.784
  348   HH22  ARG  44          HH21      ARG  44  61.982  34.973   9.445
  349    HN1  NH2  45           HN1      NH2  45  56.053  28.545  10.125
  350    HN2  NH2  45           HN2      NH2  45  57.617  27.941   9.690
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1   5.212  11.758  -1.356
    2    H2   ACE   1           H2       ACE   1   5.262  10.252  -2.304
    3    H3   ACE   1           H3       ACE   1   4.208  11.592  -2.816
    4    H    SER   2           H        SER   2   4.860   9.689   0.100
    5    HA   SER   2           HA       SER   2   1.968   9.620   0.623
    6    HB2  SER   2           HB2      SER   2   3.868   7.267   0.639
    7    HB3  SER   2           HB3      SER   2   2.258   7.224   1.358
    8    HG   SER   2           HG       SER   2   1.491   6.905  -0.560
    9    H    LYS   3           H        LYS   3   1.501   8.839   2.885
   10    HA   LYS   3           HA       LYS   3   2.767  10.476   4.756
   11    HB2  LYS   3           HB2      LYS   3   1.589   9.000   6.457
   12    HB3  LYS   3           HB3      LYS   3   0.567   9.762   5.246
   13    HG2  LYS   3           HG2      LYS   3   1.510   7.142   4.420
   14    HG3  LYS   3           HG3      LYS   3   0.583   7.097   5.921
   15    HD2  LYS   3           HD2      LYS   3  -0.392   8.577   3.494
   16    HD3  LYS   3           HD3      LYS   3  -0.708   6.856   3.726
   17    HE2  LYS   3           HE2      LYS   3  -1.419   8.979   5.743
   18    HE3  LYS   3           HE3      LYS   3  -2.533   8.391   4.508
   19    HZ1  LYS   3           HZ1      LYS   3  -1.763   7.184   6.987
   20    HZ2  LYS   3           HZ2      LYS   3  -1.593   6.121   5.682
   21    HZ3  LYS   3           HZ3      LYS   3  -3.089   6.848   5.990
   22    H    LEU   4           H        LEU   4   3.447   7.200   3.757
   23    HA   LEU   4           HA       LEU   4   5.116   6.482   5.928
   24    HB2  LEU   4           HB2      LEU   4   5.722   4.600   4.667
   25    HB3  LEU   4           HB3      LEU   4   4.050   4.945   4.229
   26    HG   LEU   4           HG       LEU   4   5.297   6.267   2.258
   27   HD11  LEU   4          HD11      LEU   4   7.029   4.017   1.958
   28   HD12  LEU   4          HD12      LEU   4   7.386   4.830   3.481
   29   HD13  LEU   4          HD13      LEU   4   7.427   5.735   1.968
   30   HD21  LEU   4          HD21      LEU   4   4.682   4.493   0.841
   31   HD22  LEU   4          HD22      LEU   4   3.562   4.411   2.201
   32   HD23  LEU   4          HD23      LEU   4   4.920   3.289   2.108
   33    H    LEU   5           H        LEU   5   5.668   8.195   2.926
   34    HA   LEU   5           HA       LEU   5   8.490   8.074   2.928
   35    HB2  LEU   5           HB2      LEU   5   7.329   8.666   0.926
   36    HB3  LEU   5           HB3      LEU   5   6.560  10.041   1.716
   37    HG   LEU   5           HG       LEU   5   9.417  10.316   1.836
   38   HD11  LEU   5          HD11      LEU   5  10.040  10.346  -0.418
   39   HD12  LEU   5          HD12      LEU   5   8.371  10.221  -0.975
   40   HD13  LEU   5          HD13      LEU   5   9.157   8.831  -0.226
   41   HD21  LEU   5          HD21      LEU   5   8.849  12.413   0.586
   42   HD22  LEU   5          HD22      LEU   5   7.960  12.183   2.092
   43   HD23  LEU   5          HD23      LEU   5   7.175  11.859   0.546
   44    H    LEU   6           H        LEU   6   6.187  10.340   4.344
   45    HA   LEU   6           HA       LEU   6   8.051  12.286   5.164
   46    HB2  LEU   6           HB2      LEU   6   5.244  11.636   5.705
   47    HB3  LEU   6           HB3      LEU   6   6.068  12.463   7.025
   48    HG   LEU   6           HG       LEU   6   4.825  13.978   5.504
   49   HD11  LEU   6          HD11      LEU   6   6.574  14.937   6.785
   50   HD12  LEU   6          HD12      LEU   6   6.747  15.557   5.144
   51   HD13  LEU   6          HD13      LEU   6   7.812  14.274   5.718
   52   HD21  LEU   6          HD21      LEU   6   5.793  12.441   3.491
   53   HD22  LEU   6          HD22      LEU   6   6.892  13.818   3.423
   54   HD23  LEU   6          HD23      LEU   6   5.152  14.071   3.283
   55    H    ASN   7           H        ASN   7   7.037   9.252   6.556
   56    HA   ASN   7           HA       ASN   7   8.134   9.723   9.151
   57    HB2  ASN   7           HB2      ASN   7   7.506   7.077   7.822
   58    HB3  ASN   7           HB3      ASN   7   7.722   7.359   9.547
   59   HD21  ASN   7          HD21      ASN   7   5.455   6.172   8.490
   60   HD22  ASN   7          HD22      ASN   7   4.107   7.225   8.731
   61    H    GLY   8           H        GLY   8   9.383   8.587   6.117
   62    HA2  GLY   8           HA2      GLY   8  11.785   7.465   7.295
   63    HA3  GLY   8           HA3      GLY   8  11.417   7.580   5.581
   64    H    PHE   9           H        PHE   9  10.864  10.375   5.522
   65    HA   PHE   9           HA       PHE   9  13.529  11.356   5.258
   66    HB2  PHE   9           HB2      PHE   9  11.044  12.040   4.214
   67    HB3  PHE   9           HB3      PHE   9  11.472  13.415   5.227
   68    HD1  PHE   9           HD1      PHE   9  12.918  11.204   2.602
   69    HD2  PHE   9           HD2      PHE   9  12.800  15.081   4.354
   70    HE1  PHE   9           HE1      PHE   9  14.391  12.050   0.822
   71    HE2  PHE   9           HE2      PHE   9  14.272  15.933   2.577
   72    HZ   PHE   9           HZ       PHE   9  15.069  14.418   0.807
   73    H    ASP  10           H        ASP  10  11.178  11.404   7.768
   74    HA   ASP  10           HA       ASP  10  11.865  13.711   9.169
   75    HB2  ASP  10           HB2      ASP  10   9.918  12.430   9.795
   76    HB3  ASP  10           HB3      ASP  10  10.911  11.030  10.190
   77    H    ASP  11           H        ASP  11  13.356  10.517   9.167
   78    HA   ASP  11           HA       ASP  11  15.218  11.168  11.259
   79    HB2  ASP  11           HB2      ASP  11  14.412   8.812   9.825
   80    HB3  ASP  11           HB3      ASP  11  16.168   8.947   9.791
   81    H    VAL  12           H        VAL  12  14.990  12.121   8.116
   82    HA   VAL  12           HA       VAL  12  17.908  12.267   7.748
   83    HB   VAL  12           HB       VAL  12  15.706  12.578   5.702
   84   HG11  VAL  12          HG11      VAL  12  17.687  12.466   4.103
   85   HG12  VAL  12          HG12      VAL  12  17.453  13.977   4.985
   86   HG13  VAL  12          HG13      VAL  12  18.693  12.834   5.504
   87   HG21  VAL  12          HG21      VAL  12  17.326  10.305   6.627
   88   HG22  VAL  12          HG22      VAL  12  15.753  10.329   5.831
   89   HG23  VAL  12          HG23      VAL  12  17.226  10.494   4.876
   90    H    HIS  13           H        HIS  13  15.008  14.122   8.150
   91    HA   HIS  13           HA       HIS  13  16.164  16.620   7.310
   92    HB2  HIS  13           HB2      HIS  13  13.556  15.652   7.934
   93    HB3  HIS  13           HB3      HIS  13  13.880  17.044   8.962
   94    HD1  HIS  13           HD1      HIS  13  13.108  19.143   7.936
   95    HD2  HIS  13           HD2      HIS  13  14.352  16.405   5.069
   96    HE1  HIS  13           HE1      HIS  13  12.751  20.280   5.722
   97    H    PHE  14           H        PHE  14  16.300  14.728  10.110
   98    HA   PHE  14           HA       PHE  14  16.770  16.979  11.897
   99    HB2  PHE  14           HB2      PHE  14  16.389  15.544  13.622
  100    HB3  PHE  14           HB3      PHE  14  15.598  14.600  12.364
  101    HD1  PHE  14           HD2      PHE  14  18.544  14.886  14.509
  102    HD2  PHE  14           HD1      PHE  14  16.596  12.579  11.509
  103    HE1  PHE  14           HE2      PHE  14  20.065  13.009  14.970
  104    HE2  PHE  14           HE1      PHE  14  18.113  10.697  11.966
  105    HZ   PHE  14           HZ       PHE  14  19.852  10.911  13.697
  106    H    LEU  15           H        LEU  15  18.522  14.613  10.074
  107    HA   LEU  15           HA       LEU  15  20.986  14.846  11.505
  108    HB2  LEU  15           HB2      LEU  15  20.778  12.858  10.329
  109    HB3  LEU  15           HB3      LEU  15  20.155  13.661   8.889
  110    HG   LEU  15           HG       LEU  15  22.366  14.474   8.341
  111   HD11  LEU  15          HD11      LEU  15  24.313  13.936   9.648
  112   HD12  LEU  15          HD12      LEU  15  23.335  13.031  10.803
  113   HD13  LEU  15          HD13      LEU  15  23.147  14.779  10.667
  114   HD21  LEU  15          HD21      LEU  15  22.426  12.523   7.261
  115   HD22  LEU  15          HD22      LEU  15  21.717  11.652   8.622
  116   HD23  LEU  15          HD23      LEU  15  23.455  11.954   8.576
  117    H    GLY  16           H        GLY  16  19.904  16.048   8.322
  118    HA2  GLY  16           HA2      GLY  16  22.140  17.512   7.627
  119    HA3  GLY  16           HA3      GLY  16  20.501  17.932   7.152
  120    H    SER  17           H        SER  17  19.428  18.525   9.670
  121    HA   SER  17           HA       SER  17  20.310  21.202   9.979
  122    HB2  SER  17           HB2      SER  17  18.454  19.516  11.672
  123    HB3  SER  17           HB3      SER  17  18.704  21.246  11.899
  124    HG   SER  17           HG       SER  17  17.648  19.949   9.607
  125    H    ASN  18           H        ASN  18  20.912  18.227  11.743
  126    HA   ASN  18           HA       ASN  18  22.151  19.416  13.999
  127    HB2  ASN  18           HB2      ASN  18  21.323  16.888  13.372
  128    HB3  ASN  18           HB3      ASN  18  23.072  16.721  13.250
  129   HD21  ASN  18          HD21      ASN  18  20.788  15.996  15.237
  130   HD22  ASN  18          HD22      ASN  18  21.496  16.364  16.769
  131    H    VAL  19           H        VAL  19  23.502  17.846  11.101
  132    HA   VAL  19           HA       VAL  19  26.191  18.148  11.635
  133    HB   VAL  19           HB       VAL  19  24.930  18.471   8.910
  134   HG11  VAL  19          HG11      VAL  19  27.676  17.577   9.777
  135   HG12  VAL  19          HG12      VAL  19  27.067  17.510   8.122
  136   HG13  VAL  19          HG13      VAL  19  27.269  19.067   8.926
  137   HG21  VAL  19          HG21      VAL  19  25.094  16.176  10.698
  138   HG22  VAL  19          HG22      VAL  19  24.124  16.411   9.244
  139   HG23  VAL  19          HG23      VAL  19  25.797  15.870   9.110
  140    H    MET  20           H        MET  20  23.873  20.544  10.615
  141    HA   MET  20           HA       MET  20  25.792  22.512   9.834
  142    HB2  MET  20           HB2      MET  20  23.507  22.548   8.961
  143    HB3  MET  20           HB3      MET  20  22.878  22.803  10.583
  144    HG2  MET  20           HG2      MET  20  24.325  24.919  10.595
  145    HG3  MET  20           HG3      MET  20  24.419  24.691   8.850
  146    HE1  MET  20           HE1      MET  20  22.391  27.650   9.179
  147    HE2  MET  20           HE2      MET  20  23.760  26.781   8.483
  148    HE3  MET  20           HE3      MET  20  22.197  26.765   7.665
  149    H    GLU  21           H        GLU  21  23.948  21.844  12.775
  150    HA   GLU  21           HA       GLU  21  24.686  24.148  14.205
  151    HB2  GLU  21           HB2      GLU  21  22.853  22.799  14.976
  152    HB3  GLU  21           HB3      GLU  21  23.894  21.392  15.149
  153    HG2  GLU  21           HG2      GLU  21  23.463  22.274  17.316
  154    HG3  GLU  21           HG3      GLU  21  25.146  22.605  16.914
  155    H    GLU  22           H        GLU  22  26.200  20.965  13.932
  156    HA   GLU  22           HA       GLU  22  28.238  21.455  15.849
  157    HB2  GLU  22           HB2      GLU  22  28.416  19.517  13.547
  158    HB3  GLU  22           HB3      GLU  22  29.223  19.419  15.106
  159    HG2  GLU  22           HG2      GLU  22  26.352  18.910  14.441
  160    HG3  GLU  22           HG3      GLU  22  27.512  17.853  15.243
  161    H    GLN  23           H        GLN  23  27.982  21.938  12.378
  162    HA   GLN  23           HA       GLN  23  30.744  22.600  12.016
  163    HB2  GLN  23           HB2      GLN  23  28.504  22.108  10.350
  164    HB3  GLN  23           HB3      GLN  23  29.102  23.713   9.952
  165    HG2  GLN  23           HG2      GLN  23  31.408  22.615   9.816
  166    HG3  GLN  23           HG3      GLN  23  30.529  21.087   9.783
  167   HE21  GLN  23          HE21      GLN  23  28.779  20.964   8.117
  168   HE22  GLN  23          HE22      GLN  23  29.113  21.653   6.569
  169    H    ASP  24           H        ASP  24  27.814  24.365  12.726
  170    HA   ASP  24           HA       ASP  24  28.969  26.953  12.231
  171    HB2  ASP  24           HB2      ASP  24  26.437  26.160  12.235
  172    HB3  ASP  24           HB3      ASP  24  26.540  26.619  13.933
  173    H    LEU  25           H        LEU  25  28.761  24.760  14.897
  174    HA   LEU  25           HA       LEU  25  29.393  26.764  16.887
  175    HB2  LEU  25           HB2      LEU  25  28.580  23.968  16.854
  176    HB3  LEU  25           HB3      LEU  25  29.837  24.300  18.044
  177    HG   LEU  25           HG       LEU  25  27.507  24.404  18.929
  178   HD11  LEU  25          HD11      LEU  25  28.194  25.866  20.474
  179   HD12  LEU  25          HD12      LEU  25  28.415  27.157  19.294
  180   HD13  LEU  25          HD13      LEU  25  29.678  25.948  19.525
  181   HD21  LEU  25          HD21      LEU  25  25.945  25.875  18.190
  182   HD22  LEU  25          HD22      LEU  25  26.829  25.657  16.679
  183   HD23  LEU  25          HD23      LEU  25  27.142  27.069  17.689
  184    H    ARG  26           H        ARG  26  31.079  24.591  14.808
  185    HA   ARG  26           HA       ARG  26  33.551  24.793  16.344
  186    HB2  ARG  26           HB2      ARG  26  34.435  23.125  14.927
  187    HB3  ARG  26           HB3      ARG  26  32.768  22.649  15.220
  188    HG2  ARG  26           HG2      ARG  26  32.131  23.593  13.046
  189    HG3  ARG  26           HG3      ARG  26  33.818  24.018  12.753
  190    HD2  ARG  26           HD2      ARG  26  33.422  21.975  11.616
  191    HD3  ARG  26           HD3      ARG  26  34.370  21.582  13.050
  192    HE   ARG  26           HE       ARG  26  31.641  21.320  13.656
  193   HH11  ARG  26          HH12      ARG  26  34.122  19.794  11.749
  194   HH12  ARG  26          HH11      ARG  26  33.399  18.221  11.830
  195   HH21  ARG  26          HH22      ARG  26  30.680  19.255  13.770
  196   HH22  ARG  26          HH21      ARG  26  31.441  17.916  12.979
  197    H    ASP  27           H        ASP  27  32.076  25.993  13.409
  198    HA   ASP  27           HA       ASP  27  34.260  26.974  12.034
  199    HB2  ASP  27           HB2      ASP  27  32.157  27.115  10.966
  200    HB3  ASP  27           HB3      ASP  27  31.445  28.012  12.305
  201    H    ILE  28           H        ILE  28  32.355  28.652  14.531
  202    HA   ILE  28           HA       ILE  28  33.759  31.044  14.578
  203    HB   ILE  28           HB       ILE  28  32.503  29.645  16.943
  204   HG12  ILE  28          HG12      ILE  28  31.309  31.685  15.053
  205   HG13  ILE  28          HG13      ILE  28  30.981  29.956  14.994
  206   HG21  ILE  28          HG21      ILE  28  33.852  31.388  17.779
  207   HG22  ILE  28          HG22      ILE  28  33.376  32.483  16.482
  208   HG23  ILE  28          HG23      ILE  28  32.213  32.038  17.731
  209   HD11  ILE  28          HD11      ILE  28  29.218  30.498  16.256
  210   HD12  ILE  28          HD12      ILE  28  30.388  30.505  17.575
  211   HD13  ILE  28          HD13      ILE  28  29.936  32.018  16.790
  212    H    GLY  29           H        GLY  29  34.646  27.924  15.812
  213    HA2  GLY  29           HA2      GLY  29  36.758  28.954  17.508
  214    HA3  GLY  29           HA3      GLY  29  36.399  27.262  17.195
  215    H    ILE  30           H        ILE  30  36.431  27.776  14.252
  216    HA   ILE  30           HA       ILE  30  39.318  27.517  13.932
  217    HB   ILE  30           HB       ILE  30  37.167  27.126  11.850
  218   HG12  ILE  30          HG12      ILE  30  38.557  25.036  13.540
  219   HG13  ILE  30          HG13      ILE  30  36.913  25.605  13.809
  220   HG21  ILE  30          HG21      ILE  30  38.973  25.737  10.779
  221   HG22  ILE  30          HG22      ILE  30  39.265  27.475  10.802
  222   HG23  ILE  30          HG23      ILE  30  40.091  26.427  11.955
  223   HD11  ILE  30          HD11      ILE  30  36.368  23.827  12.565
  224   HD12  ILE  30          HD12      ILE  30  36.778  24.881  11.211
  225   HD13  ILE  30          HD13      ILE  30  37.964  23.727  11.821
  226    H    SER  31           H        SER  31  36.902  29.862  13.562
  227    HA   SER  31           HA       SER  31  38.547  31.401  11.668
  228    HB2  SER  31           HB2      SER  31  35.713  30.981  11.877
  229    HB3  SER  31           HB3      SER  31  36.063  32.698  12.071
  230    HG   SER  31           HG       SER  31  36.989  32.744  10.088
  231    H    ASP  32           H        ASP  32  38.109  31.061  14.876
  232    HA   ASP  32           HA       ASP  32  37.645  33.544  15.969
  233    HB2  ASP  32           HB2      ASP  32  39.023  31.101  16.807
  234    HB3  ASP  32           HB3      ASP  32  39.660  32.554  17.572
  235    HA   PRO  33           HA       PRO  33  40.956  36.200  14.862
  236    HB2  PRO  33           HB2      PRO  33  41.243  37.679  17.121
  237    HB3  PRO  33           HB3      PRO  33  39.867  37.855  16.026
  238    HG2  PRO  33           HG2      PRO  33  40.053  36.346  18.604
  239    HG3  PRO  33           HG3      PRO  33  38.748  37.389  18.010
  240    HD2  PRO  33           HD2      PRO  33  38.629  34.687  17.877
  241    HD3  PRO  33           HD3      PRO  33  37.872  35.736  16.662
  242    H    GLN  34           H        GLN  34  41.328  34.888  18.158
  243    HA   GLN  34           HA       GLN  34  44.050  35.253  18.463
  244    HB2  GLN  34           HB2      GLN  34  42.231  33.084  19.501
  245    HB3  GLN  34           HB3      GLN  34  43.919  33.214  19.979
  246    HG2  GLN  34           HG2      GLN  34  43.466  35.493  20.817
  247    HG3  GLN  34           HG3      GLN  34  41.762  35.264  20.425
  248   HE21  GLN  34          HE21      GLN  34  41.226  35.576  22.610
  249   HE22  GLN  34          HE22      GLN  34  41.476  34.334  23.784
  250    H    HIS  35           H        HIS  35  42.346  32.926  16.533
  251    HA   HIS  35           HA       HIS  35  44.210  30.920  16.201
  252    HB2  HIS  35           HB2      HIS  35  41.799  31.539  15.055
  253    HB3  HIS  35           HB3      HIS  35  42.905  31.738  13.698
  254    HD1  HIS  35           HD1      HIS  35  40.859  29.484  13.631
  255    HD2  HIS  35           HD2      HIS  35  44.709  29.046  15.131
  256    HE1  HIS  35           HE1      HIS  35  41.362  27.024  13.483
  257    H    ARG  36           H        ARG  36  44.031  34.051  14.560
  258    HA   ARG  36           HA       ARG  36  46.148  33.614  12.755
  259    HB2  ARG  36           HB2      ARG  36  44.645  35.961  13.762
  260    HB3  ARG  36           HB3      ARG  36  46.230  36.289  13.075
  261    HG2  ARG  36           HG2      ARG  36  44.816  34.507  11.351
  262    HG3  ARG  36           HG3      ARG  36  43.795  35.898  11.725
  263    HD2  ARG  36           HD2      ARG  36  45.123  37.337  10.604
  264    HD3  ARG  36           HD3      ARG  36  46.603  36.520  11.103
  265    HE   ARG  36           HE       ARG  36  45.225  34.904   9.261
  266   HH11  ARG  36          HH12      ARG  36  47.027  37.878   9.412
  267   HH12  ARG  36          HH11      ARG  36  47.575  37.782   7.772
  268   HH21  ARG  36          HH22      ARG  36  45.940  34.765   7.099
  269   HH22  ARG  36          HH21      ARG  36  46.956  36.011   6.457
  270    H    ARG  37           H        ARG  37  46.059  34.755  16.076
  271    HA   ARG  37           HA       ARG  37  48.802  35.563  16.149
  272    HB2  ARG  37           HB2      ARG  37  46.652  35.169  18.200
  273    HB3  ARG  37           HB3      ARG  37  48.320  35.381  18.714
  274    HG2  ARG  37           HG2      ARG  37  48.009  37.434  16.943
  275    HG3  ARG  37           HG3      ARG  37  46.410  37.329  17.682
  276    HD2  ARG  37           HD2      ARG  37  48.083  37.090  19.840
  277    HD3  ARG  37           HD3      ARG  37  48.949  38.229  18.811
  278    HE   ARG  37           HE       ARG  37  47.361  39.801  19.288
  279   HH11  ARG  37          HH12      ARG  37  46.114  36.653  20.099
  280   HH12  ARG  37          HH11      ARG  37  44.678  37.271  20.846
  281   HH21  ARG  37          HH22      ARG  37  45.475  40.626  20.269
  282   HH22  ARG  37          HH21      ARG  37  44.315  39.531  20.942
  283    H    LYS  38           H        LYS  38  47.043  32.617  16.829
  284    HA   LYS  38           HA       LYS  38  49.311  31.313  18.054
  285    HB2  LYS  38           HB2      LYS  38  46.573  30.907  18.115
  286    HB3  LYS  38           HB3      LYS  38  47.158  29.569  17.135
  287    HG2  LYS  38           HG2      LYS  38  47.656  28.501  19.007
  288    HG3  LYS  38           HG3      LYS  38  48.902  29.713  19.313
  289    HD2  LYS  38           HD2      LYS  38  46.023  30.095  20.105
  290    HD3  LYS  38           HD3      LYS  38  47.215  29.342  21.168
  291    HE2  LYS  38           HE2      LYS  38  47.697  32.031  19.926
  292    HE3  LYS  38           HE3      LYS  38  46.775  31.862  21.420
  293    HZ1  LYS  38           HZ1      LYS  38  49.240  32.293  21.644
  294    HZ2  LYS  38           HZ2      LYS  38  49.482  30.709  21.105
  295    HZ3  LYS  38           HZ3      LYS  38  48.624  30.994  22.536
  296    H    LEU  39           H        LEU  39  48.022  31.720  14.888
  297    HA   LEU  39           HA       LEU  39  49.469  29.447  13.794
  298    HB2  LEU  39           HB2      LEU  39  47.153  30.354  13.053
  299    HB3  LEU  39           HB3      LEU  39  48.096  31.544  12.158
  300    HG   LEU  39           HG       LEU  39  49.261  29.223  11.347
  301   HD11  LEU  39          HD11      LEU  39  47.269  27.782  10.713
  302   HD12  LEU  39          HD12      LEU  39  46.373  28.660  11.953
  303   HD13  LEU  39          HD13      LEU  39  47.795  27.715  12.396
  304   HD21  LEU  39          HD21      LEU  39  48.773  30.673   9.662
  305   HD22  LEU  39          HD22      LEU  39  47.151  31.011  10.268
  306   HD23  LEU  39          HD23      LEU  39  47.476  29.506   9.407
  307    H    LEU  40           H        LEU  40  49.890  32.830  14.271
  308    HA   LEU  40           HA       LEU  40  51.820  33.262  12.212
  309    HB2  LEU  40           HB2      LEU  40  50.499  35.076  13.206
  310    HB3  LEU  40           HB3      LEU  40  51.311  34.813  14.748
  311    HG   LEU  40           HG       LEU  40  53.459  35.443  13.634
  312   HD11  LEU  40          HD11      LEU  40  52.937  36.904  11.507
  313   HD12  LEU  40          HD12      LEU  40  51.598  35.769  11.338
  314   HD13  LEU  40          HD13      LEU  40  53.257  35.175  11.375
  315   HD21  LEU  40          HD21      LEU  40  52.210  37.035  14.992
  316   HD22  LEU  40          HD22      LEU  40  51.256  37.504  13.584
  317   HD23  LEU  40          HD23      LEU  40  52.987  37.842  13.630
  318    H    GLN  41           H        GLN  41  52.043  32.713  15.718
  319    HA   GLN  41           HA       GLN  41  54.883  32.754  15.787
  320    HB2  GLN  41           HB2      GLN  41  52.833  32.703  17.668
  321    HB3  GLN  41           HB3      GLN  41  53.661  31.168  17.895
  322    HG2  GLN  41           HG2      GLN  41  54.947  33.888  17.948
  323    HG3  GLN  41           HG3      GLN  41  54.559  32.895  19.352
  324   HE21  GLN  41          HE21      GLN  41  55.651  30.839  19.550
  325   HE22  GLN  41          HE22      GLN  41  57.243  30.656  18.905
  326    H    ALA  42           H        ALA  42  52.539  30.337  15.013
  327    HA   ALA  42           HA       ALA  42  54.382  28.126  15.350
  328    HB1  ALA  42           HB1      ALA  42  51.918  27.948  15.782
  329    HB2  ALA  42           HB2      ALA  42  51.672  28.069  14.039
  330    HB3  ALA  42           HB3      ALA  42  52.579  26.713  14.710
  331    H    ALA  43           H        ALA  43  53.186  30.177  12.790
  332    HA   ALA  43           HA       ALA  43  54.288  28.522  10.686
  333    HB1  ALA  43           HB1      ALA  43  53.567  30.401   9.209
  334    HB2  ALA  43           HB2      ALA  43  52.271  29.698  10.177
  335    HB3  ALA  43           HB3      ALA  43  52.987  31.239  10.648
  336    H    ARG  44           H        ARG  44  55.302  31.159  12.668
  337    HA   ARG  44           HA       ARG  44  57.310  32.215  10.965
  338    HB2  ARG  44           HB2      ARG  44  56.682  32.410  13.882
  339    HB3  ARG  44           HB3      ARG  44  58.246  32.974  13.308
  340    HG2  ARG  44           HG2      ARG  44  56.350  34.069  11.561
  341    HG3  ARG  44           HG3      ARG  44  55.690  34.262  13.186
  342    HD2  ARG  44           HD2      ARG  44  57.361  35.663  13.848
  343    HD3  ARG  44           HD3      ARG  44  58.553  34.918  12.784
  344    HE   ARG  44           HE       ARG  44  56.561  36.292  11.297
  345   HH11  ARG  44          HH12      ARG  44  59.413  36.787  13.231
  346   HH12  ARG  44          HH11      ARG  44  59.841  38.275  12.453
  347   HH21  ARG  44          HH22      ARG  44  57.114  38.250  10.265
  348   HH22  ARG  44          HH21      ARG  44  58.532  39.107  10.767
  349    HN1  NH2  45           HN1      NH2  45  57.230  29.616  13.348
  350    HN2  NH2  45           HN2      NH2  45  58.844  29.047  13.081
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1  11.332   4.852  -4.880
    2    H2   ACE   1           H2       ACE   1  12.044   5.912  -3.639
    3    H3   ACE   1           H3       ACE   1  12.735   4.298  -3.935
    4    H    SER   2           H        SER   2   9.924   6.043  -2.781
    5    HA   SER   2           HA       SER   2   8.682   3.703  -1.660
    6    HB2  SER   2           HB2      SER   2  10.638   5.095  -0.108
    7    HB3  SER   2           HB3      SER   2   9.053   5.375   0.613
    8    HG   SER   2           HG       SER   2   8.805   2.999   0.388
    9    H    LYS   3           H        LYS   3   6.847   4.455  -0.103
   10    HA   LYS   3           HA       LYS   3   5.508   6.711  -1.424
   11    HB2  LYS   3           HB2      LYS   3   4.632   4.105  -0.455
   12    HB3  LYS   3           HB3      LYS   3   3.610   5.413   0.127
   13    HG2  LYS   3           HG2      LYS   3   4.296   4.915  -2.762
   14    HG3  LYS   3           HG3      LYS   3   2.799   4.418  -1.970
   15    HD2  LYS   3           HD2      LYS   3   2.957   7.082  -1.334
   16    HD3  LYS   3           HD3      LYS   3   3.616   7.040  -2.971
   17    HE2  LYS   3           HE2      LYS   3   1.647   6.166  -3.867
   18    HE3  LYS   3           HE3      LYS   3   1.064   5.621  -2.295
   19    HZ1  LYS   3           HZ1      LYS   3   1.096   8.355  -3.403
   20    HZ2  LYS   3           HZ2      LYS   3   1.022   8.104  -1.732
   21    HZ3  LYS   3           HZ3      LYS   3  -0.199   7.496  -2.734
   22    H    LEU   4           H        LEU   4   6.421   5.415   1.710
   23    HA   LEU   4           HA       LEU   4   5.271   7.739   3.063
   24    HB2  LEU   4           HB2      LEU   4   5.217   5.185   3.800
   25    HB3  LEU   4           HB3      LEU   4   6.749   5.635   4.546
   26    HG   LEU   4           HG       LEU   4   5.423   7.536   5.653
   27   HD11  LEU   4          HD11      LEU   4   3.358   6.300   4.118
   28   HD12  LEU   4          HD12      LEU   4   3.277   7.734   5.141
   29   HD13  LEU   4          HD13      LEU   4   2.984   6.139   5.835
   30   HD21  LEU   4          HD21      LEU   4   4.545   4.841   6.597
   31   HD22  LEU   4          HD22      LEU   4   5.102   6.231   7.529
   32   HD23  LEU   4          HD23      LEU   4   6.257   5.264   6.611
   33    H    LEU   5           H        LEU   5   7.539   8.091   1.333
   34    HA   LEU   5           HA       LEU   5   9.985   8.199   2.686
   35    HB2  LEU   5           HB2      LEU   5   9.366   8.566   0.177
   36    HB3  LEU   5           HB3      LEU   5   9.243  10.258   0.653
   37    HG   LEU   5           HG       LEU   5  11.738   8.925   1.453
   38   HD11  LEU   5          HD11      LEU   5  11.640   9.694  -1.405
   39   HD12  LEU   5          HD12      LEU   5  10.959   8.129  -0.962
   40   HD13  LEU   5          HD13      LEU   5  12.641   8.497  -0.583
   41   HD21  LEU   5          HD21      LEU   5  11.482  11.269   1.814
   42   HD22  LEU   5          HD22      LEU   5  10.994  11.532   0.140
   43   HD23  LEU   5          HD23      LEU   5  12.652  11.054   0.512
   44    H    LEU   6           H        LEU   6   7.207  10.265   2.825
   45    HA   LEU   6           HA       LEU   6   8.413  12.603   3.824
   46    HB2  LEU   6           HB2      LEU   6   6.194  13.213   4.595
   47    HB3  LEU   6           HB3      LEU   6   6.137  12.553   2.962
   48    HG   LEU   6           HG       LEU   6   5.647  10.361   4.587
   49   HD11  LEU   6          HD11      LEU   6   5.234  12.504   6.231
   50   HD12  LEU   6          HD12      LEU   6   4.476  10.921   6.405
   51   HD13  LEU   6          HD13      LEU   6   3.623  12.220   5.572
   52   HD21  LEU   6          HD21      LEU   6   4.063  12.151   2.826
   53   HD22  LEU   6          HD22      LEU   6   3.190  10.987   3.822
   54   HD23  LEU   6          HD23      LEU   6   4.409  10.428   2.675
   55    H    ASN   7           H        ASN   7   7.554   9.587   5.325
   56    HA   ASN   7           HA       ASN   7   7.790  10.601   8.019
   57    HB2  ASN   7           HB2      ASN   7   6.290   8.669   7.279
   58    HB3  ASN   7           HB3      ASN   7   7.758   7.699   7.197
   59   HD21  ASN   7          HD21      ASN   7   6.725   6.378   8.807
   60   HD22  ASN   7          HD22      ASN   7   6.806   6.837  10.471
   61    H    GLY   8           H        GLY   8   9.830   9.071   5.650
   62    HA2  GLY   8           HA2      GLY   8  11.903   8.431   7.580
   63    HA3  GLY   8           HA3      GLY   8  11.975   8.171   5.844
   64    H    PHE   9           H        PHE   9  11.178  10.962   5.285
   65    HA   PHE   9           HA       PHE   9  13.811  12.085   5.280
   66    HB2  PHE   9           HB2      PHE   9  11.801  12.345   3.571
   67    HB3  PHE   9           HB3      PHE   9  11.413  13.726   4.593
   68    HD1  PHE   9           HD1      PHE   9  14.496  12.242   3.093
   69    HD2  PHE   9           HD2      PHE   9  12.166  15.732   3.801
   70    HE1  PHE   9           HE1      PHE   9  16.161  13.594   1.887
   71    HE2  PHE   9           HE2      PHE   9  13.826  17.090   2.596
   72    HZ   PHE   9           HZ       PHE   9  15.827  16.021   1.636
   73    H    ASP  10           H        ASP  10  10.993  12.387   7.269
   74    HA   ASP  10           HA       ASP  10  11.305  14.880   8.413
   75    HB2  ASP  10           HB2      ASP  10   9.775  12.585   8.933
   76    HB3  ASP  10           HB3      ASP  10  10.614  12.939  10.440
   77    H    ASP  11           H        ASP  11  12.773  11.816   9.473
   78    HA   ASP  11           HA       ASP  11  14.217  12.855  11.634
   79    HB2  ASP  11           HB2      ASP  11  13.843  10.360  10.568
   80    HB3  ASP  11           HB3      ASP  11  15.536  10.663  10.184
   81    H    VAL  12           H        VAL  12  14.807  12.973   8.224
   82    HA   VAL  12           HA       VAL  12  17.596  13.677   8.480
   83    HB   VAL  12           HB       VAL  12  15.800  13.864   6.058
   84   HG11  VAL  12          HG11      VAL  12  18.164  13.592   4.968
   85   HG12  VAL  12          HG12      VAL  12  17.605  15.179   5.501
   86   HG13  VAL  12          HG13      VAL  12  18.724  14.254   6.503
   87   HG21  VAL  12          HG21      VAL  12  17.594  11.653   7.043
   88   HG22  VAL  12          HG22      VAL  12  15.854  11.586   6.760
   89   HG23  VAL  12          HG23      VAL  12  16.963  11.740   5.398
   90    H    HIS  13           H        HIS  13  14.542  15.337   7.865
   91    HA   HIS  13           HA       HIS  13  15.506  17.855   7.191
   92    HB2  HIS  13           HB2      HIS  13  12.992  16.706   7.931
   93    HB3  HIS  13           HB3      HIS  13  13.199  18.222   8.804
   94    HD1  HIS  13           HD1      HIS  13  12.221  20.117   7.577
   95    HD2  HIS  13           HD2      HIS  13  13.726  17.233   4.992
   96    HE1  HIS  13           HE1      HIS  13  11.761  20.984   5.262
   97    H    PHE  14           H        PHE  14  15.438  16.239  10.250
   98    HA   PHE  14           HA       PHE  14  15.887  18.655  11.781
   99    HB2  PHE  14           HB2      PHE  14  14.585  16.798  12.744
  100    HB3  PHE  14           HB3      PHE  14  15.998  15.753  12.632
  101    HD1  PHE  14           HD2      PHE  14  15.433  19.229  13.873
  102    HD2  PHE  14           HD1      PHE  14  16.867  15.308  14.702
  103    HE1  PHE  14           HE2      PHE  14  16.150  19.967  16.108
  104    HE2  PHE  14           HE1      PHE  14  17.585  16.040  16.938
  105    HZ   PHE  14           HZ       PHE  14  17.228  18.372  17.643
  106    H    LEU  15           H        LEU  15  17.745  15.906  10.601
  107    HA   LEU  15           HA       LEU  15  20.114  16.235  11.975
  108    HB2  LEU  15           HB2      LEU  15  19.232  14.887   9.611
  109    HB3  LEU  15           HB3      LEU  15  20.808  15.619   9.311
  110    HG   LEU  15           HG       LEU  15  20.991  13.287  10.041
  111   HD11  LEU  15          HD11      LEU  15  22.712  15.042  10.595
  112   HD12  LEU  15          HD12      LEU  15  22.722  13.607  11.619
  113   HD13  LEU  15          HD13      LEU  15  22.006  15.106  12.210
  114   HD21  LEU  15          HD21      LEU  15  18.953  13.982  11.815
  115   HD22  LEU  15          HD22      LEU  15  20.369  13.695  12.826
  116   HD23  LEU  15          HD23      LEU  15  19.806  12.441  11.720
  117    H    GLY  16           H        GLY  16  18.986  17.930   9.080
  118    HA2  GLY  16           HA2      GLY  16  21.273  19.308   8.372
  119    HA3  GLY  16           HA3      GLY  16  19.643  19.932   8.166
  120    H    SER  17           H        SER  17  18.664  20.772  10.308
  121    HA   SER  17           HA       SER  17  20.047  23.022  11.109
  122    HB2  SER  17           HB2      SER  17  17.641  21.605  11.982
  123    HB3  SER  17           HB3      SER  17  18.435  22.483  13.288
  124    HG   SER  17           HG       SER  17  17.708  23.584  10.774
  125    H    ASN  18           H        ASN  18  20.143  19.780  12.427
  126    HA   ASN  18           HA       ASN  18  21.471  20.391  14.846
  127    HB2  ASN  18           HB2      ASN  18  20.447  18.095  13.628
  128    HB3  ASN  18           HB3      ASN  18  22.173  17.782  13.784
  129   HD21  ASN  18          HD21      ASN  18  19.668  16.797  15.179
  130   HD22  ASN  18          HD22      ASN  18  20.045  16.943  16.859
  131    H    VAL  19           H        VAL  19  22.721  19.158  11.744
  132    HA   VAL  19           HA       VAL  19  25.407  19.045  12.346
  133    HB   VAL  19           HB       VAL  19  24.272  19.969   9.704
  134   HG11  VAL  19          HG11      VAL  19  26.893  18.704  10.479
  135   HG12  VAL  19          HG12      VAL  19  26.323  18.836   8.814
  136   HG13  VAL  19          HG13      VAL  19  26.634  20.292   9.759
  137   HG21  VAL  19          HG21      VAL  19  23.324  17.971   9.511
  138   HG22  VAL  19          HG22      VAL  19  24.921  17.232   9.624
  139   HG23  VAL  19          HG23      VAL  19  23.958  17.478  11.081
  140    H    MET  20           H        MET  20  23.427  21.846  11.691
  141    HA   MET  20           HA       MET  20  25.639  23.648  11.358
  142    HB2  MET  20           HB2      MET  20  23.472  24.090  10.296
  143    HB3  MET  20           HB3      MET  20  22.714  24.209  11.879
  144    HG2  MET  20           HG2      MET  20  24.466  26.079  12.287
  145    HG3  MET  20           HG3      MET  20  24.579  26.102  10.529
  146    HE1  MET  20           HE1      MET  20  21.871  28.091   9.321
  147    HE2  MET  20           HE2      MET  20  23.289  27.076   9.063
  148    HE3  MET  20           HE3      MET  20  21.682  26.351   9.105
  149    H    GLU  21           H        GLU  21  23.514  22.675  13.987
  150    HA   GLU  21           HA       GLU  21  24.399  24.673  15.818
  151    HB2  GLU  21           HB2      GLU  21  22.266  23.710  16.226
  152    HB3  GLU  21           HB3      GLU  21  22.911  22.076  16.163
  153    HG2  GLU  21           HG2      GLU  21  23.544  22.105  18.308
  154    HG3  GLU  21           HG3      GLU  21  24.107  23.773  18.227
  155    H    GLU  22           H        GLU  22  25.581  21.571  14.839
  156    HA   GLU  22           HA       GLU  22  27.293  21.233  17.143
  157    HB2  GLU  22           HB2      GLU  22  27.518  19.703  14.563
  158    HB3  GLU  22           HB3      GLU  22  27.953  19.183  16.185
  159    HG2  GLU  22           HG2      GLU  22  25.243  19.734  16.350
  160    HG3  GLU  22           HG3      GLU  22  25.440  18.956  14.781
  161    H    GLN  23           H        GLN  23  27.553  22.410  13.855
  162    HA   GLN  23           HA       GLN  23  30.439  22.644  14.006
  163    HB2  GLN  23           HB2      GLN  23  28.611  22.399  11.921
  164    HB3  GLN  23           HB3      GLN  23  29.182  24.058  11.800
  165    HG2  GLN  23           HG2      GLN  23  31.530  23.091  11.932
  166    HG3  GLN  23           HG3      GLN  23  30.775  21.524  11.647
  167   HE21  GLN  23          HE21      GLN  23  29.145  21.624   9.750
  168   HE22  GLN  23          HE22      GLN  23  29.737  22.385   8.317
  169    H    ASP  24           H        ASP  24  27.656  24.577  14.616
  170    HA   ASP  24           HA       ASP  24  28.967  27.118  14.370
  171    HB2  ASP  24           HB2      ASP  24  26.526  26.867  14.072
  172    HB3  ASP  24           HB3      ASP  24  26.378  26.411  15.767
  173    H    LEU  25           H        LEU  25  28.424  24.792  16.916
  174    HA   LEU  25           HA       LEU  25  29.186  26.560  19.046
  175    HB2  LEU  25           HB2      LEU  25  28.104  23.929  18.783
  176    HB3  LEU  25           HB3      LEU  25  29.514  23.868  19.838
  177    HG   LEU  25           HG       LEU  25  28.503  25.527  21.309
  178   HD11  LEU  25          HD11      LEU  25  27.238  26.737  19.567
  179   HD12  LEU  25          HD12      LEU  25  26.255  26.330  20.974
  180   HD13  LEU  25          HD13      LEU  25  26.103  25.389  19.490
  181   HD21  LEU  25          HD21      LEU  25  26.430  24.136  21.938
  182   HD22  LEU  25          HD22      LEU  25  28.012  23.359  21.997
  183   HD23  LEU  25          HD23      LEU  25  26.935  23.065  20.631
  184    H    ARG  26           H        ARG  26  30.819  24.461  16.838
  185    HA   ARG  26           HA       ARG  26  33.278  24.505  18.415
  186    HB2  ARG  26           HB2      ARG  26  34.118  22.849  16.948
  187    HB3  ARG  26           HB3      ARG  26  32.438  22.417  17.240
  188    HG2  ARG  26           HG2      ARG  26  31.860  23.540  15.083
  189    HG3  ARG  26           HG3      ARG  26  33.590  23.720  14.787
  190    HD2  ARG  26           HD2      ARG  26  32.622  21.738  13.675
  191    HD3  ARG  26           HD3      ARG  26  33.892  21.329  14.828
  192    HE   ARG  26           HE       ARG  26  31.284  21.221  15.992
  193   HH11  ARG  26          HH12      ARG  26  33.576  19.471  14.041
  194   HH12  ARG  26          HH11      ARG  26  32.946  17.914  14.466
  195   HH21  ARG  26          HH22      ARG  26  30.446  19.176  16.559
  196   HH22  ARG  26          HH21      ARG  26  31.165  17.747  15.897
  197    H    ASP  27           H        ASP  27  31.876  25.836  15.500
  198    HA   ASP  27           HA       ASP  27  34.130  26.777  14.193
  199    HB2  ASP  27           HB2      ASP  27  31.270  27.446  14.230
  200    HB3  ASP  27           HB3      ASP  27  32.312  28.783  13.753
  201    H    ILE  28           H        ILE  28  32.418  28.117  16.956
  202    HA   ILE  28           HA       ILE  28  33.535  30.653  17.063
  203    HB   ILE  28           HB       ILE  28  32.861  28.876  19.411
  204   HG12  ILE  28          HG12      ILE  28  30.990  29.169  17.819
  205   HG13  ILE  28          HG13      ILE  28  30.673  29.947  19.366
  206   HG21  ILE  28          HG21      ILE  28  33.765  31.656  19.178
  207   HG22  ILE  28          HG22      ILE  28  32.342  31.425  20.193
  208   HG23  ILE  28          HG23      ILE  28  33.831  30.550  20.551
  209   HD11  ILE  28          HD11      ILE  28  30.606  31.072  16.774
  210   HD12  ILE  28          HD12      ILE  28  30.276  31.849  18.322
  211   HD13  ILE  28          HD13      ILE  28  31.913  31.846  17.669
  212    H    GLY  29           H        GLY  29  34.962  27.569  17.768
  213    HA2  GLY  29           HA2      GLY  29  37.270  28.812  19.071
  214    HA3  GLY  29           HA3      GLY  29  36.956  27.088  18.944
  215    H    ILE  30           H        ILE  30  36.310  27.646  15.989
  216    HA   ILE  30           HA       ILE  30  39.078  27.349  15.090
  217    HB   ILE  30           HB       ILE  30  36.600  26.946  13.424
  218   HG12  ILE  30          HG12      ILE  30  38.077  24.908  15.105
  219   HG13  ILE  30          HG13      ILE  30  36.455  25.518  15.416
  220   HG21  ILE  30          HG21      ILE  30  38.043  26.507  11.799
  221   HG22  ILE  30          HG22      ILE  30  39.382  26.865  12.888
  222   HG23  ILE  30          HG23      ILE  30  38.758  25.220  12.769
  223   HD11  ILE  30          HD11      ILE  30  36.075  23.475  14.408
  224   HD12  ILE  30          HD12      ILE  30  35.913  24.610  13.067
  225   HD13  ILE  30          HD13      ILE  30  37.398  23.679  13.261
  226    H    SER  31           H        SER  31  36.857  29.776  15.406
  227    HA   SER  31           HA       SER  31  37.939  31.247  13.092
  228    HB2  SER  31           HB2      SER  31  35.234  30.880  13.988
  229    HB3  SER  31           HB3      SER  31  35.651  32.591  14.079
  230    HG   SER  31           HG       SER  31  35.036  31.183  11.930
  231    H    ASP  32           H        ASP  32  38.278  30.924  16.317
  232    HA   ASP  32           HA       ASP  32  38.142  33.422  17.467
  233    HB2  ASP  32           HB2      ASP  32  39.625  30.949  17.976
  234    HB3  ASP  32           HB3      ASP  32  40.457  32.390  18.554
  235    HA   PRO  33           HA       PRO  33  41.165  35.997  15.605
  236    HB2  PRO  33           HB2      PRO  33  42.059  37.430  17.731
  237    HB3  PRO  33           HB3      PRO  33  40.459  37.665  17.019
  238    HG2  PRO  33           HG2      PRO  33  41.238  36.110  19.455
  239    HG3  PRO  33           HG3      PRO  33  39.860  37.200  19.217
  240    HD2  PRO  33           HD2      PRO  33  39.624  34.505  19.097
  241    HD3  PRO  33           HD3      PRO  33  38.620  35.596  18.121
  242    H    GLN  34           H        GLN  34  42.304  34.601  18.682
  243    HA   GLN  34           HA       GLN  34  45.032  34.884  18.278
  244    HB2  GLN  34           HB2      GLN  34  43.470  32.775  19.765
  245    HB3  GLN  34           HB3      GLN  34  45.227  32.858  19.798
  246    HG2  GLN  34           HG2      GLN  34  44.792  35.333  20.525
  247    HG3  GLN  34           HG3      GLN  34  43.218  34.695  20.997
  248   HE21  GLN  34          HE21      GLN  34  43.050  33.803  22.931
  249   HE22  GLN  34          HE22      GLN  34  44.367  33.305  23.932
  250    H    HIS  35           H        HIS  35  42.800  32.666  16.835
  251    HA   HIS  35           HA       HIS  35  44.462  30.587  16.055
  252    HB2  HIS  35           HB2      HIS  35  41.841  31.260  15.605
  253    HB3  HIS  35           HB3      HIS  35  42.538  31.418  13.996
  254    HD1  HIS  35           HD1      HIS  35  40.501  29.217  14.528
  255    HD2  HIS  35           HD2      HIS  35  44.603  28.692  14.920
  256    HE1  HIS  35           HE1      HIS  35  40.888  26.745  14.286
  257    H    ARG  36           H        ARG  36  44.254  33.838  14.854
  258    HA   ARG  36           HA       ARG  36  45.619  33.357  12.388
  259    HB2  ARG  36           HB2      ARG  36  44.377  35.294  12.270
  260    HB3  ARG  36           HB3      ARG  36  44.754  35.763  13.922
  261    HG2  ARG  36           HG2      ARG  36  46.689  36.803  13.337
  262    HG3  ARG  36           HG3      ARG  36  46.977  35.735  11.962
  263    HD2  ARG  36           HD2      ARG  36  46.438  37.759  10.957
  264    HD3  ARG  36           HD3      ARG  36  44.913  36.874  10.924
  265    HE   ARG  36           HE       ARG  36  45.079  38.436  13.271
  266   HH11  ARG  36          HH12      ARG  36  44.607  38.722   9.834
  267   HH12  ARG  36          HH11      ARG  36  43.671  40.175   9.951
  268   HH21  ARG  36          HH22      ARG  36  43.848  40.350  13.439
  269   HH22  ARG  36          HH21      ARG  36  43.241  41.101  12.002
  270    H    ARG  37           H        ARG  37  46.575  34.159  15.654
  271    HA   ARG  37           HA       ARG  37  49.280  34.834  14.967
  272    HB2  ARG  37           HB2      ARG  37  47.883  34.290  17.583
  273    HB3  ARG  37           HB3      ARG  37  49.607  34.625  17.488
  274    HG2  ARG  37           HG2      ARG  37  49.007  36.775  16.320
  275    HG3  ARG  37           HG3      ARG  37  47.331  36.443  16.759
  276    HD2  ARG  37           HD2      ARG  37  49.183  36.176  18.995
  277    HD3  ARG  37           HD3      ARG  37  49.169  37.795  18.296
  278    HE   ARG  37           HE       ARG  37  47.067  36.536  19.797
  279   HH11  ARG  37          HH12      ARG  37  47.831  38.972  17.431
  280   HH12  ARG  37          HH11      ARG  37  46.421  39.923  17.763
  281   HH21  ARG  37          HH22      ARG  37  45.207  37.778  20.244
  282   HH22  ARG  37          HH21      ARG  37  44.930  39.243  19.364
  283    H    LYS  38           H        LYS  38  47.545  31.946  15.841
  284    HA   LYS  38           HA       LYS  38  49.969  30.418  16.300
  285    HB2  LYS  38           HB2      LYS  38  47.068  29.984  16.646
  286    HB3  LYS  38           HB3      LYS  38  47.997  28.556  16.210
  287    HG2  LYS  38           HG2      LYS  38  48.482  28.327  18.359
  288    HG3  LYS  38           HG3      LYS  38  49.483  29.774  18.219
  289    HD2  LYS  38           HD2      LYS  38  48.021  30.188  20.021
  290    HD3  LYS  38           HD3      LYS  38  47.364  31.103  18.662
  291    HE2  LYS  38           HE2      LYS  38  45.423  30.074  18.993
  292    HE3  LYS  38           HE3      LYS  38  46.194  28.568  18.498
  293    HZ1  LYS  38           HZ1      LYS  38  45.760  27.841  20.535
  294    HZ2  LYS  38           HZ2      LYS  38  45.311  29.376  21.083
  295    HZ3  LYS  38           HZ3      LYS  38  46.937  28.911  21.111
  296    H    LEU  39           H        LEU  39  47.829  31.157  13.710
  297    HA   LEU  39           HA       LEU  39  48.619  28.878  12.102
  298    HB2  LEU  39           HB2      LEU  39  46.331  29.973  12.069
  299    HB3  LEU  39           HB3      LEU  39  47.089  31.302  11.194
  300    HG   LEU  39           HG       LEU  39  47.830  29.133   9.698
  301   HD11  LEU  39          HD11      LEU  39  45.243  28.555  11.053
  302   HD12  LEU  39          HD12      LEU  39  46.542  27.460  10.583
  303   HD13  LEU  39          HD13      LEU  39  45.443  28.099   9.361
  304   HD21  LEU  39          HD21      LEU  39  46.408  30.017   8.050
  305   HD22  LEU  39          HD22      LEU  39  46.849  31.393   9.062
  306   HD23  LEU  39          HD23      LEU  39  45.267  30.634   9.245
  307    H    LEU  40           H        LEU  40  49.565  32.168  12.585
  308    HA   LEU  40           HA       LEU  40  50.906  32.548  10.105
  309    HB2  LEU  40           HB2      LEU  40  50.123  34.302  11.809
  310    HB3  LEU  40           HB3      LEU  40  51.619  33.938  12.667
  311    HG   LEU  40           HG       LEU  40  52.515  34.443  10.129
  312   HD11  LEU  40          HD11      LEU  40  50.170  36.245  10.696
  313   HD12  LEU  40          HD12      LEU  40  50.400  35.189   9.303
  314   HD13  LEU  40          HD13      LEU  40  51.433  36.602   9.518
  315   HD21  LEU  40          HD21      LEU  40  53.162  36.669  11.085
  316   HD22  LEU  40          HD22      LEU  40  53.591  35.278  12.081
  317   HD23  LEU  40          HD23      LEU  40  52.193  36.268  12.503
  318    H    GLN  41           H        GLN  41  52.025  31.671  13.364
  319    HA   GLN  41           HA       GLN  41  54.750  31.397  12.638
  320    HB2  GLN  41           HB2      GLN  41  53.160  30.328  14.969
  321    HB3  GLN  41           HB3      GLN  41  54.896  30.095  14.804
  322    HG2  GLN  41           HG2      GLN  41  54.328  32.854  14.443
  323    HG3  GLN  41           HG3      GLN  41  53.506  32.298  15.900
  324   HE21  GLN  41          HE21      GLN  41  56.553  32.861  14.363
  325   HE22  GLN  41          HE22      GLN  41  57.539  32.639  15.764
  326    H    ALA  42           H        ALA  42  51.999  29.312  12.392
  327    HA   ALA  42           HA       ALA  42  53.593  26.921  11.988
  328    HB1  ALA  42           HB1      ALA  42  51.517  25.751  11.804
  329    HB2  ALA  42           HB2      ALA  42  51.387  26.879  13.154
  330    HB3  ALA  42           HB3      ALA  42  50.623  27.259  11.610
  331    H    ALA  43           H        ALA  43  51.946  29.339  10.089
  332    HA   ALA  43           HA       ALA  43  52.135  27.830   7.629
  333    HB1  ALA  43           HB1      ALA  43  50.246  29.337   8.008
  334    HB2  ALA  43           HB2      ALA  43  51.354  30.708   8.081
  335    HB3  ALA  43           HB3      ALA  43  51.168  29.804   6.578
  336    H    ARG  44           H        ARG  44  54.046  30.103   9.386
  337    HA   ARG  44           HA       ARG  44  55.574  31.126   7.226
  338    HB2  ARG  44           HB2      ARG  44  55.884  31.053  10.199
  339    HB3  ARG  44           HB3      ARG  44  57.265  31.509   9.210
  340    HG2  ARG  44           HG2      ARG  44  55.112  32.996   8.224
  341    HG3  ARG  44           HG3      ARG  44  54.983  33.063   9.983
  342    HD2  ARG  44           HD2      ARG  44  57.394  33.779   8.319
  343    HD3  ARG  44           HD3      ARG  44  56.342  34.899   9.184
  344    HE   ARG  44           HE       ARG  44  57.287  33.160  11.090
  345   HH11  ARG  44          HH12      ARG  44  58.682  35.374   8.793
  346   HH12  ARG  44          HH11      ARG  44  60.071  35.717   9.770
  347   HH21  ARG  44          HH22      ARG  44  59.111  33.603  12.385
  348   HH22  ARG  44          HH21      ARG  44  60.315  34.708  11.813
  349    HN1  NH2  45           HN1      NH2  45  55.862  28.295   9.311
  350    HN2  NH2  45           HN2      NH2  45  57.227  27.592   8.510
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1   2.824   0.068   4.413
    2    H2   ACE   1           H2       ACE   1   2.969  -0.361   2.692
    3    H3   ACE   1           H3       ACE   1   4.431  -0.047   3.656
    4    H    SER   2           H        SER   2   2.072   1.230   1.638
    5    HA   SER   2           HA       SER   2   1.735   3.293   0.739
    6    HB2  SER   2           HB2      SER   2   1.052   3.579   3.278
    7    HB3  SER   2           HB3      SER   2   2.474   4.622   3.314
    8    HG   SER   2           HG       SER   2   1.185   6.072   2.518
    9    H    LYS   3           H        LYS   3   2.811   5.603   0.593
   10    HA   LYS   3           HA       LYS   3   5.293   5.321  -0.581
   11    HB2  LYS   3           HB2      LYS   3   3.494   7.378  -0.258
   12    HB3  LYS   3           HB3      LYS   3   4.890   7.953   0.644
   13    HG2  LYS   3           HG2      LYS   3   6.246   8.003  -1.232
   14    HG3  LYS   3           HG3      LYS   3   5.220   6.878  -2.126
   15    HD2  LYS   3           HD2      LYS   3   3.454   8.836  -1.811
   16    HD3  LYS   3           HD3      LYS   3   4.925   9.805  -1.703
   17    HE2  LYS   3           HE2      LYS   3   5.641   8.610  -3.852
   18    HE3  LYS   3           HE3      LYS   3   3.958   8.103  -3.981
   19    HZ1  LYS   3           HZ1      LYS   3   3.241  10.287  -4.230
   20    HZ2  LYS   3           HZ2      LYS   3   4.648  10.229  -5.167
   21    HZ3  LYS   3           HZ3      LYS   3   4.682  10.946  -3.636
   22    H    LEU   4           H        LEU   4   4.530   6.307   2.736
   23    HA   LEU   4           HA       LEU   4   5.831   6.578   4.589
   24    HB2  LEU   4           HB2      LEU   4   5.941   4.110   4.141
   25    HB3  LEU   4           HB3      LEU   4   7.492   4.391   3.354
   26    HG   LEU   4           HG       LEU   4   7.756   5.562   5.866
   27   HD11  LEU   4          HD11      LEU   4   6.529   2.835   6.195
   28   HD12  LEU   4          HD12      LEU   4   5.652   4.339   6.470
   29   HD13  LEU   4          HD13      LEU   4   7.058   3.946   7.459
   30   HD21  LEU   4          HD21      LEU   4   9.476   4.361   4.616
   31   HD22  LEU   4          HD22      LEU   4   8.633   2.839   4.907
   32   HD23  LEU   4          HD23      LEU   4   9.328   3.736   6.258
   33    H    LEU   5           H        LEU   5   6.486   8.294   2.408
   34    HA   LEU   5           HA       LEU   5   9.407   8.506   2.565
   35    HB2  LEU   5           HB2      LEU   5   7.437   9.075   0.542
   36    HB3  LEU   5           HB3      LEU   5   8.417  10.502   0.873
   37    HG   LEU   5           HG       LEU   5   9.687   7.849   0.277
   38   HD11  LEU   5          HD11      LEU   5   8.045   9.326  -1.504
   39   HD12  LEU   5          HD12      LEU   5   9.029   7.901  -1.836
   40   HD13  LEU   5          HD13      LEU   5   9.722   9.513  -2.017
   41   HD21  LEU   5          HD21      LEU   5  10.562  10.725   0.061
   42   HD22  LEU   5          HD22      LEU   5  11.496   9.356  -0.543
   43   HD23  LEU   5          HD23      LEU   5  11.162   9.504   1.183
   44    H    LEU   6           H        LEU   6   6.433  10.269   3.230
   45    HA   LEU   6           HA       LEU   6   7.557  12.735   3.939
   46    HB2  LEU   6           HB2      LEU   6   5.026  11.686   3.793
   47    HB3  LEU   6           HB3      LEU   6   5.232  11.946   5.524
   48    HG   LEU   6           HG       LEU   6   5.785  14.324   5.041
   49   HD11  LEU   6          HD11      LEU   6   6.353  13.645   2.568
   50   HD12  LEU   6          HD12      LEU   6   5.713  15.243   2.947
   51   HD13  LEU   6          HD13      LEU   6   4.643  13.993   2.312
   52   HD21  LEU   6          HD21      LEU   6   3.538  15.013   4.791
   53   HD22  LEU   6          HD22      LEU   6   3.484  13.458   5.623
   54   HD23  LEU   6          HD23      LEU   6   3.110  13.552   3.901
   55    H    ASN   7           H        ASN   7   6.797   9.888   5.919
   56    HA   ASN   7           HA       ASN   7   7.547  10.967   8.396
   57    HB2  ASN   7           HB2      ASN   7   7.666   8.084   7.482
   58    HB3  ASN   7           HB3      ASN   7   7.712   8.630   9.155
   59   HD21  ASN   7          HD21      ASN   7   5.851   9.163  10.175
   60   HD22  ASN   7          HD22      ASN   7   4.283   9.004   9.466
   61    H    GLY   8           H        GLY   8   9.427   9.668   5.772
   62    HA2  GLY   8           HA2      GLY   8  11.841   9.450   7.374
   63    HA3  GLY   8           HA3      GLY   8  11.693   9.112   5.656
   64    H    PHE   9           H        PHE   9  10.415  11.685   5.083
   65    HA   PHE   9           HA       PHE   9  12.816  13.217   4.731
   66    HB2  PHE   9           HB2      PHE   9  11.008  13.092   3.018
   67    HB3  PHE   9           HB3      PHE   9   9.964  14.002   4.104
   68    HD1  PHE   9           HD1      PHE   9  13.093  14.170   2.144
   69    HD2  PHE   9           HD2      PHE   9  10.084  16.344   4.228
   70    HE1  PHE   9           HE1      PHE   9  13.983  16.273   1.229
   71    HE2  PHE   9           HE2      PHE   9  10.970  18.450   3.315
   72    HZ   PHE   9           HZ       PHE   9  12.921  18.417   1.813
   73    H    ASP  10           H        ASP  10  10.411  13.032   7.120
   74    HA   ASP  10           HA       ASP  10  10.608  15.762   8.020
   75    HB2  ASP  10           HB2      ASP  10   9.029  13.399   8.694
   76    HB3  ASP  10           HB3      ASP  10   9.530  14.311  10.115
   77    H    ASP  11           H        ASP  11  12.253  12.779   8.607
   78    HA   ASP  11           HA       ASP  11  13.494  13.738  11.056
   79    HB2  ASP  11           HB2      ASP  11  13.080  11.169   9.802
   80    HB3  ASP  11           HB3      ASP  11  14.777  11.381  10.225
   81    H    VAL  12           H        VAL  12  14.270  13.258   7.674
   82    HA   VAL  12           HA       VAL  12  17.081  13.679   7.953
   83    HB   VAL  12           HB       VAL  12  15.971  12.490   6.023
   84   HG11  VAL  12          HG11      VAL  12  15.465  15.275   4.993
   85   HG12  VAL  12          HG12      VAL  12  15.034  13.745   4.226
   86   HG13  VAL  12          HG13      VAL  12  14.217  14.254   5.704
   87   HG21  VAL  12          HG21      VAL  12  17.485  13.918   4.324
   88   HG22  VAL  12          HG22      VAL  12  18.112  14.517   5.860
   89   HG23  VAL  12          HG23      VAL  12  18.152  12.790   5.504
   90    H    HIS  13           H        HIS  13  14.308  15.739   7.534
   91    HA   HIS  13           HA       HIS  13  15.662  18.049   6.615
   92    HB2  HIS  13           HB2      HIS  13  13.029  17.352   6.998
   93    HB3  HIS  13           HB3      HIS  13  13.290  18.543   8.269
   94    HD1  HIS  13           HD1      HIS  13  13.114  20.925   7.584
   95    HD2  HIS  13           HD2      HIS  13  13.725  18.406   4.337
   96    HE1  HIS  13           HE1      HIS  13  12.921  22.391   5.550
   97    H    PHE  14           H        PHE  14  15.327  16.589   9.724
   98    HA   PHE  14           HA       PHE  14  16.106  18.991  11.157
   99    HB2  PHE  14           HB2      PHE  14  14.479  17.438  12.165
  100    HB3  PHE  14           HB3      PHE  14  15.695  16.165  12.158
  101    HD1  PHE  14           HD1      PHE  14  15.818  19.757  13.154
  102    HD2  PHE  14           HD2      PHE  14  16.301  15.692  14.321
  103    HE1  PHE  14           HE1      PHE  14  16.589  20.489  15.372
  104    HE2  PHE  14           HE2      PHE  14  17.072  16.418  16.541
  105    HZ   PHE  14           HZ       PHE  14  17.217  18.819  17.070
  106    H    LEU  15           H        LEU  15  17.513  15.971  10.068
  107    HA   LEU  15           HA       LEU  15  19.860  15.923  11.542
  108    HB2  LEU  15           HB2      LEU  15  18.818  14.641   9.224
  109    HB3  LEU  15           HB3      LEU  15  20.479  15.128   8.892
  110    HG   LEU  15           HG       LEU  15  20.273  12.807   9.726
  111   HD11  LEU  15          HD11      LEU  15  21.964  13.092  11.598
  112   HD12  LEU  15          HD12      LEU  15  21.792  14.829  11.347
  113   HD13  LEU  15          HD13      LEU  15  22.378  13.803  10.038
  114   HD21  LEU  15          HD21      LEU  15  18.344  13.261  11.236
  115   HD22  LEU  15          HD22      LEU  15  19.455  14.079  12.334
  116   HD23  LEU  15          HD23      LEU  15  19.655  12.359  11.996
  117    H    GLY  16           H        GLY  16  19.177  17.604   8.490
  118    HA2  GLY  16           HA2      GLY  16  21.696  18.591   7.914
  119    HA3  GLY  16           HA3      GLY  16  20.197  19.419   7.518
  120    H    SER  17           H        SER  17  19.166  20.499   9.550
  121    HA   SER  17           HA       SER  17  20.761  22.616  10.319
  122    HB2  SER  17           HB2      SER  17  18.747  21.898  12.330
  123    HB3  SER  17           HB3      SER  17  18.902  23.364  11.363
  124    HG   SER  17           HG       SER  17  17.374  21.133  10.934
  125    H    ASN  18           H        ASN  18  20.451  19.456  11.758
  126    HA   ASN  18           HA       ASN  18  21.696  20.085  14.239
  127    HB2  ASN  18           HB2      ASN  18  20.336  17.914  13.250
  128    HB3  ASN  18           HB3      ASN  18  21.993  17.320  13.298
  129   HD21  ASN  18          HD21      ASN  18  19.196  17.869  15.056
  130   HD22  ASN  18          HD22      ASN  18  19.832  17.610  16.641
  131    H    VAL  19           H        VAL  19  22.883  18.469  11.294
  132    HA   VAL  19           HA       VAL  19  25.517  18.080  12.099
  133    HB   VAL  19           HB       VAL  19  24.635  18.719   9.284
  134   HG11  VAL  19          HG11      VAL  19  27.073  17.520  10.505
  135   HG12  VAL  19          HG12      VAL  19  26.544  16.951   8.921
  136   HG13  VAL  19          HG13      VAL  19  26.925  18.656   9.165
  137   HG21  VAL  19          HG21      VAL  19  23.889  16.539  10.985
  138   HG22  VAL  19          HG22      VAL  19  23.403  16.870   9.322
  139   HG23  VAL  19          HG23      VAL  19  24.867  15.940   9.645
  140    H    MET  20           H        MET  20  23.892  20.966  11.076
  141    HA   MET  20           HA       MET  20  26.342  22.430  10.590
  142    HB2  MET  20           HB2      MET  20  24.349  22.937   9.265
  143    HB3  MET  20           HB3      MET  20  23.469  23.364  10.726
  144    HG2  MET  20           HG2      MET  20  25.297  25.122  11.080
  145    HG3  MET  20           HG3      MET  20  25.714  24.827   9.394
  146    HE1  MET  20           HE1      MET  20  23.664  26.237  11.962
  147    HE2  MET  20           HE2      MET  20  23.849  27.759  11.090
  148    HE3  MET  20           HE3      MET  20  22.257  27.010  11.230
  149    H    GLU  21           H        GLU  21  23.875  22.190  13.099
  150    HA   GLU  21           HA       GLU  21  24.869  24.330  14.687
  151    HB2  GLU  21           HB2      GLU  21  22.597  23.664  14.999
  152    HB3  GLU  21           HB3      GLU  21  23.061  21.997  15.308
  153    HG2  GLU  21           HG2      GLU  21  23.420  22.380  17.470
  154    HG3  GLU  21           HG3      GLU  21  24.291  23.879  17.153
  155    H    GLU  22           H        GLU  22  25.673  20.965  14.370
  156    HA   GLU  22           HA       GLU  22  27.154  20.836  16.840
  157    HB2  GLU  22           HB2      GLU  22  27.715  18.594  16.200
  158    HB3  GLU  22           HB3      GLU  22  26.019  18.859  15.819
  159    HG2  GLU  22           HG2      GLU  22  26.555  19.166  13.482
  160    HG3  GLU  22           HG3      GLU  22  28.275  19.012  13.833
  161    H    GLN  23           H        GLN  23  27.835  21.394  13.449
  162    HA   GLN  23           HA       GLN  23  30.702  21.311  13.844
  163    HB2  GLN  23           HB2      GLN  23  29.009  20.990  11.648
  164    HB3  GLN  23           HB3      GLN  23  29.843  22.509  11.347
  165    HG2  GLN  23           HG2      GLN  23  31.989  21.231  11.866
  166    HG3  GLN  23           HG3      GLN  23  31.011  19.773  11.703
  167   HE21  GLN  23          HE21      GLN  23  29.626  19.787   9.648
  168   HE22  GLN  23          HE22      GLN  23  30.441  20.260   8.200
  169    H    ASP  24           H        ASP  24  28.161  23.657  13.815
  170    HA   ASP  24           HA       ASP  24  29.854  25.934  13.385
  171    HB2  ASP  24           HB2      ASP  24  27.419  25.894  12.823
  172    HB3  ASP  24           HB3      ASP  24  27.063  25.858  14.548
  173    H    LEU  25           H        LEU  25  28.891  24.032  16.100
  174    HA   LEU  25           HA       LEU  25  29.529  26.032  18.074
  175    HB2  LEU  25           HB2      LEU  25  28.200  23.531  18.023
  176    HB3  LEU  25           HB3      LEU  25  29.529  23.404  19.173
  177    HG   LEU  25           HG       LEU  25  28.654  25.246  20.459
  178   HD11  LEU  25          HD11      LEU  25  27.770  26.703  18.830
  179   HD12  LEU  25          HD12      LEU  25  26.398  26.187  19.811
  180   HD13  LEU  25          HD13      LEU  25  26.662  25.474  18.220
  181   HD21  LEU  25          HD21      LEU  25  26.169  23.710  19.981
  182   HD22  LEU  25          HD22      LEU  25  27.013  24.067  21.488
  183   HD23  LEU  25          HD23      LEU  25  27.609  22.793  20.423
  184    H    ARG  26           H        ARG  26  31.206  23.561  16.344
  185    HA   ARG  26           HA       ARG  26  33.459  23.580  18.195
  186    HB2  ARG  26           HB2      ARG  26  34.346  21.766  16.933
  187    HB3  ARG  26           HB3      ARG  26  32.623  21.462  17.115
  188    HG2  ARG  26           HG2      ARG  26  32.192  22.129  14.867
  189    HG3  ARG  26           HG3      ARG  26  33.846  22.710  14.668
  190    HD2  ARG  26           HD2      ARG  26  34.251  20.698  13.777
  191    HD3  ARG  26           HD3      ARG  26  34.234  20.118  15.442
  192    HE   ARG  26           HE       ARG  26  32.194  19.709  13.428
  193   HH11  ARG  26          HH12      ARG  26  33.033  19.591  16.805
  194   HH12  ARG  26          HH11      ARG  26  31.769  18.479  17.215
  195   HH21  ARG  26          HH22      ARG  26  30.526  18.245  13.955
  196   HH22  ARG  26          HH21      ARG  26  30.344  17.713  15.592
  197    H    ASP  27           H        ASP  27  32.520  24.812  15.070
  198    HA   ASP  27           HA       ASP  27  35.044  25.482  14.053
  199    HB2  ASP  27           HB2      ASP  27  32.787  25.524  12.853
  200    HB3  ASP  27           HB3      ASP  27  32.547  27.107  13.587
  201    H    ILE  28           H        ILE  28  32.939  27.122  16.329
  202    HA   ILE  28           HA       ILE  28  34.075  29.653  16.354
  203    HB   ILE  28           HB       ILE  28  32.974  28.121  18.713
  204   HG12  ILE  28          HG12      ILE  28  31.519  30.194  17.091
  205   HG13  ILE  28          HG13      ILE  28  31.527  28.503  16.599
  206   HG21  ILE  28          HG21      ILE  28  32.478  30.488  19.526
  207   HG22  ILE  28          HG22      ILE  28  34.151  29.938  19.612
  208   HG23  ILE  28          HG23      ILE  28  33.645  31.019  18.315
  209   HD11  ILE  28          HD11      ILE  28  29.990  29.829  18.654
  210   HD12  ILE  28          HD12      ILE  28  29.750  28.254  17.898
  211   HD13  ILE  28          HD13      ILE  28  30.842  28.415  19.273
  212    H    GLY  29           H        GLY  29  35.306  26.654  17.592
  213    HA2  GLY  29           HA2      GLY  29  37.381  27.999  19.149
  214    HA3  GLY  29           HA3      GLY  29  37.084  26.268  19.090
  215    H    ILE  30           H        ILE  30  36.953  26.565  16.049
  216    HA   ILE  30           HA       ILE  30  39.836  26.271  15.651
  217    HB   ILE  30           HB       ILE  30  37.674  25.655  13.645
  218   HG12  ILE  30          HG12      ILE  30  38.894  23.810  15.711
  219   HG13  ILE  30          HG13      ILE  30  37.233  24.394  15.707
  220   HG21  ILE  30          HG21      ILE  30  39.365  25.111  12.317
  221   HG22  ILE  30          HG22      ILE  30  40.501  25.629  13.562
  222   HG23  ILE  30          HG23      ILE  30  39.951  23.954  13.511
  223   HD11  ILE  30          HD11      ILE  30  38.533  22.356  13.979
  224   HD12  ILE  30          HD12      ILE  30  36.972  22.317  14.798
  225   HD13  ILE  30          HD13      ILE  30  37.178  23.285  13.339
  226    H    SER  31           H        SER  31  37.542  28.642  15.359
  227    HA   SER  31           HA       SER  31  39.000  29.951  13.157
  228    HB2  SER  31           HB2      SER  31  36.184  29.550  13.562
  229    HB3  SER  31           HB3      SER  31  36.534  31.278  13.571
  230    HG   SER  31           HG       SER  31  36.683  31.124  11.492
  231    H    ASP  32           H        ASP  32  38.775  29.911  16.395
  232    HA   ASP  32           HA       ASP  32  38.329  32.458  17.312
  233    HB2  ASP  32           HB2      ASP  32  39.730  30.115  18.254
  234    HB3  ASP  32           HB3      ASP  32  40.592  31.576  18.726
  235    HA   PRO  33           HA       PRO  33  41.442  35.141  15.782
  236    HB2  PRO  33           HB2      PRO  33  41.994  36.687  17.944
  237    HB3  PRO  33           HB3      PRO  33  40.483  36.811  17.035
  238    HG2  PRO  33           HG2      PRO  33  41.034  35.379  19.605
  239    HG3  PRO  33           HG3      PRO  33  39.643  36.384  19.161
  240    HD2  PRO  33           HD2      PRO  33  39.559  33.678  19.115
  241    HD3  PRO  33           HD3      PRO  33  38.629  34.681  17.984
  242    H    GLN  34           H        GLN  34  42.251  33.855  19.005
  243    HA   GLN  34           HA       GLN  34  44.992  34.291  18.942
  244    HB2  GLN  34           HB2      GLN  34  45.066  32.249  20.499
  245    HB3  GLN  34           HB3      GLN  34  44.113  33.636  21.010
  246    HG2  GLN  34           HG2      GLN  34  42.142  32.537  20.807
  247    HG3  GLN  34           HG3      GLN  34  42.712  31.531  19.476
  248   HE21  GLN  34          HE21      GLN  34  44.377  29.890  20.089
  249   HE22  GLN  34          HE22      GLN  34  44.163  29.068  21.594
  250    H    HIS  35           H        HIS  35  43.088  32.016  17.204
  251    HA   HIS  35           HA       HIS  35  45.044  30.042  16.705
  252    HB2  HIS  35           HB2      HIS  35  42.362  30.431  16.048
  253    HB3  HIS  35           HB3      HIS  35  43.193  30.414  14.495
  254    HD1  HIS  35           HD1      HIS  35  41.396  28.131  14.834
  255    HD2  HIS  35           HD2      HIS  35  45.263  28.060  16.352
  256    HE1  HIS  35           HE1      HIS  35  41.969  25.697  15.100
  257    H    ARG  36           H        ARG  36  43.807  32.474  14.403
  258    HA   ARG  36           HA       ARG  36  45.867  32.176  12.543
  259    HB2  ARG  36           HB2      ARG  36  43.630  33.967  12.966
  260    HB3  ARG  36           HB3      ARG  36  45.025  34.835  12.338
  261    HG2  ARG  36           HG2      ARG  36  44.556  32.336  10.938
  262    HG3  ARG  36           HG3      ARG  36  43.173  33.431  10.863
  263    HD2  ARG  36           HD2      ARG  36  45.972  34.351  10.276
  264    HD3  ARG  36           HD3      ARG  36  44.944  33.638   9.034
  265    HE   ARG  36           HE       ARG  36  43.712  35.814  10.454
  266   HH11  ARG  36          HH12      ARG  36  45.763  34.926   7.784
  267   HH12  ARG  36          HH11      ARG  36  45.431  36.366   6.881
  268   HH21  ARG  36          HH22      ARG  36  43.267  37.714   9.274
  269   HH22  ARG  36          HH21      ARG  36  44.012  37.952   7.730
  270    H    ARG  37           H        ARG  37  45.834  33.758  15.580
  271    HA   ARG  37           HA       ARG  37  48.060  35.511  14.989
  272    HB2  ARG  37           HB2      ARG  37  46.194  35.099  17.224
  273    HB3  ARG  37           HB3      ARG  37  47.830  35.520  17.713
  274    HG2  ARG  37           HG2      ARG  37  47.689  37.476  16.148
  275    HG3  ARG  37           HG3      ARG  37  45.978  37.096  15.948
  276    HD2  ARG  37           HD2      ARG  37  46.045  37.127  18.596
  277    HD3  ARG  37           HD3      ARG  37  47.428  38.182  18.304
  278    HE   ARG  37           HE       ARG  37  44.688  38.851  17.993
  279   HH11  ARG  37          HH12      ARG  37  47.841  39.402  16.625
  280   HH12  ARG  37          HH11      ARG  37  47.435  40.960  15.985
  281   HH21  ARG  37          HH22      ARG  37  44.140  40.901  17.155
  282   HH22  ARG  37          HH21      ARG  37  45.330  41.812  16.288
  283    H    LYS  38           H        LYS  38  47.494  32.420  16.541
  284    HA   LYS  38           HA       LYS  38  50.246  32.229  17.455
  285    HB2  LYS  38           HB2      LYS  38  48.301  31.359  18.793
  286    HB3  LYS  38           HB3      LYS  38  48.085  30.120  17.564
  287    HG2  LYS  38           HG2      LYS  38  49.821  28.903  18.301
  288    HG3  LYS  38           HG3      LYS  38  50.803  30.325  18.659
  289    HD2  LYS  38           HD2      LYS  38  48.434  29.852  20.376
  290    HD3  LYS  38           HD3      LYS  38  49.795  28.745  20.564
  291    HE2  LYS  38           HE2      LYS  38  50.168  31.724  20.571
  292    HE3  LYS  38           HE3      LYS  38  49.738  30.843  22.036
  293    HZ1  LYS  38           HZ1      LYS  38  51.925  30.578  22.272
  294    HZ2  LYS  38           HZ2      LYS  38  52.261  31.001  20.669
  295    HZ3  LYS  38           HZ3      LYS  38  51.813  29.414  21.049
  296    H    LEU  39           H        LEU  39  48.397  31.408  14.707
  297    HA   LEU  39           HA       LEU  39  50.264  29.334  13.847
  298    HB2  LEU  39           HB2      LEU  39  47.646  29.378  13.580
  299    HB3  LEU  39           HB3      LEU  39  48.029  30.323  12.142
  300    HG   LEU  39           HG       LEU  39  49.600  28.303  11.593
  301   HD11  LEU  39          HD11      LEU  39  49.532  26.645  13.067
  302   HD12  LEU  39          HD12      LEU  39  47.876  26.339  12.544
  303   HD13  LEU  39          HD13      LEU  39  48.183  27.383  13.932
  304   HD21  LEU  39          HD21      LEU  39  47.742  27.227  10.397
  305   HD22  LEU  39          HD22      LEU  39  47.710  28.983  10.233
  306   HD23  LEU  39          HD23      LEU  39  46.596  28.180  11.341
  307    H    LEU  40           H        LEU  40  49.621  32.677  13.412
  308    HA   LEU  40           HA       LEU  40  50.886  32.939  10.851
  309    HB2  LEU  40           HB2      LEU  40  49.230  34.547  11.482
  310    HB3  LEU  40           HB3      LEU  40  50.108  34.945  12.957
  311    HG   LEU  40           HG       LEU  40  51.632  35.411  10.498
  312   HD11  LEU  40          HD11      LEU  40  49.134  37.004  11.052
  313   HD12  LEU  40          HD12      LEU  40  49.454  36.007   9.634
  314   HD13  LEU  40          HD13      LEU  40  50.406  37.463   9.920
  315   HD21  LEU  40          HD21      LEU  40  52.519  36.183  12.549
  316   HD22  LEU  40          HD22      LEU  40  50.995  36.943  13.009
  317   HD23  LEU  40          HD23      LEU  40  51.954  37.616  11.690
  318    H    GLN  41           H        GLN  41  51.845  33.510  14.212
  319    HA   GLN  41           HA       GLN  41  54.452  34.461  13.547
  320    HB2  GLN  41           HB2      GLN  41  52.950  33.841  16.009
  321    HB3  GLN  41           HB3      GLN  41  54.694  33.652  16.129
  322    HG2  GLN  41           HG2      GLN  41  53.575  36.146  14.946
  323    HG3  GLN  41           HG3      GLN  41  53.558  35.928  16.695
  324   HE21  GLN  41          HE21      GLN  41  55.044  37.461  17.201
  325   HE22  GLN  41          HE22      GLN  41  56.708  37.375  16.745
  326    H    ALA  42           H        ALA  42  53.032  31.345  13.976
  327    HA   ALA  42           HA       ALA  42  55.589  30.010  14.327
  328    HB1  ALA  42           HB1      ALA  42  53.388  29.315  15.432
  329    HB2  ALA  42           HB2      ALA  42  52.964  28.637  13.860
  330    HB3  ALA  42           HB3      ALA  42  54.385  28.046  14.720
  331    H    ALA  43           H        ALA  43  53.306  30.725  11.802
  332    HA   ALA  43           HA       ALA  43  54.447  28.837   9.934
  333    HB1  ALA  43           HB1      ALA  43  52.077  29.317   9.808
  334    HB2  ALA  43           HB2      ALA  43  52.413  31.027   9.533
  335    HB3  ALA  43           HB3      ALA  43  52.876  29.831   8.322
  336    H    ARG  44           H        ARG  44  54.947  32.119  10.867
  337    HA   ARG  44           HA       ARG  44  56.119  33.084   8.479
  338    HB2  ARG  44           HB2      ARG  44  55.361  34.235  10.813
  339    HB3  ARG  44           HB3      ARG  44  57.104  34.184  11.039
  340    HG2  ARG  44           HG2      ARG  44  57.412  35.397   8.938
  341    HG3  ARG  44           HG3      ARG  44  55.662  35.452   8.720
  342    HD2  ARG  44           HD2      ARG  44  55.656  36.563  11.061
  343    HD3  ARG  44           HD3      ARG  44  57.364  36.859  10.741
  344    HE   ARG  44           HE       ARG  44  55.738  37.715   8.571
  345   HH11  ARG  44          HH12      ARG  44  56.784  38.590  11.775
  346   HH12  ARG  44          HH11      ARG  44  56.581  40.291  11.517
  347   HH21  ARG  44          HH22      ARG  44  55.467  39.953   8.221
  348   HH22  ARG  44          HH21      ARG  44  55.831  41.065   9.496
  349    HN1  NH2  45           HN1      NH2  45  57.391  31.375  11.298
  350    HN2  NH2  45           HN2      NH2  45  58.996  31.150  10.687
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1   5.745  -1.547   0.248
    2    H2   ACE   1           H2       ACE   1   5.367  -1.112   1.932
    3    H3   ACE   1           H3       ACE   1   4.138  -1.912   0.921
    4    H    SER   2           H        SER   2   5.807   1.020   1.662
    5    HA   SER   2           HA       SER   2   4.071   2.509  -0.188
    6    HB2  SER   2           HB2      SER   2   3.759   2.449   2.592
    7    HB3  SER   2           HB3      SER   2   4.568   3.981   2.262
    8    HG   SER   2           HG       SER   2   2.005   3.292   1.830
    9    H    LYS   3           H        LYS   3   4.842   5.030   0.212
   10    HA   LYS   3           HA       LYS   3   7.524   5.045  -0.855
   11    HB2  LYS   3           HB2      LYS   3   5.245   6.868  -0.776
   12    HB3  LYS   3           HB3      LYS   3   6.778   7.688  -0.509
   13    HG2  LYS   3           HG2      LYS   3   6.971   5.829  -2.703
   14    HG3  LYS   3           HG3      LYS   3   5.651   6.975  -2.948
   15    HD2  LYS   3           HD2      LYS   3   7.365   8.772  -2.276
   16    HD3  LYS   3           HD3      LYS   3   8.578   7.523  -2.569
   17    HE2  LYS   3           HE2      LYS   3   6.534   8.512  -4.556
   18    HE3  LYS   3           HE3      LYS   3   8.246   8.931  -4.541
   19    HZ1  LYS   3           HZ1      LYS   3   6.968   6.627  -5.615
   20    HZ2  LYS   3           HZ2      LYS   3   8.179   6.188  -4.519
   21    HZ3  LYS   3           HZ3      LYS   3   8.552   7.176  -5.840
   22    H    LEU   4           H        LEU   4   5.953   5.777   2.161
   23    HA   LEU   4           HA       LEU   4   6.711   6.659   4.136
   24    HB2  LEU   4           HB2      LEU   4   8.493   5.452   5.072
   25    HB3  LEU   4           HB3      LEU   4   7.715   4.351   3.937
   26    HG   LEU   4           HG       LEU   4   9.993   5.864   2.850
   27   HD11  LEU   4          HD11      LEU   4  10.675   3.573   4.630
   28   HD12  LEU   4          HD12      LEU   4  10.515   5.188   5.319
   29   HD13  LEU   4          HD13      LEU   4  11.694   4.887   4.043
   30   HD21  LEU   4          HD21      LEU   4  10.083   2.984   2.698
   31   HD22  LEU   4          HD22      LEU   4   9.963   4.176   1.404
   32   HD23  LEU   4          HD23      LEU   4   8.504   3.599   2.211
   33    H    LEU   5           H        LEU   5   7.187   8.365   1.874
   34    HA   LEU   5           HA       LEU   5   9.819   9.451   2.002
   35    HB2  LEU   5           HB2      LEU   5   8.016   9.614   0.136
   36    HB3  LEU   5           HB3      LEU   5   7.440  11.000   1.060
   37    HG   LEU   5           HG       LEU   5  10.162  11.463   0.766
   38   HD11  LEU   5          HD11      LEU   5  10.803  11.022  -1.407
   39   HD12  LEU   5          HD12      LEU   5   9.146  10.787  -1.962
   40   HD13  LEU   5          HD13      LEU   5   9.930   9.552  -0.976
   41   HD21  LEU   5          HD21      LEU   5   8.093  12.973   0.605
   42   HD22  LEU   5          HD22      LEU   5   8.083  12.545  -1.106
   43   HD23  LEU   5          HD23      LEU   5   9.483  13.361  -0.409
   44    H    LEU   6           H        LEU   6   6.859   9.994   3.742
   45    HA   LEU   6           HA       LEU   6   7.693  12.508   4.873
   46    HB2  LEU   6           HB2      LEU   6   5.413  10.644   5.498
   47    HB3  LEU   6           HB3      LEU   6   5.686  12.167   6.343
   48    HG   LEU   6           HG       LEU   6   5.617  12.621   3.508
   49   HD11  LEU   6          HD11      LEU   6   4.219  10.478   3.723
   50   HD12  LEU   6          HD12      LEU   6   3.506  11.858   2.887
   51   HD13  LEU   6          HD13      LEU   6   3.041  11.498   4.550
   52   HD21  LEU   6          HD21      LEU   6   5.099  14.059   5.663
   53   HD22  LEU   6          HD22      LEU   6   3.458  13.489   5.357
   54   HD23  LEU   6          HD23      LEU   6   4.321  14.398   4.116
   55    H    ASN   7           H        ASN   7   7.541   9.137   5.918
   56    HA   ASN   7           HA       ASN   7   8.244   9.530   8.604
   57    HB2  ASN   7           HB2      ASN   7   7.582   7.361   7.070
   58    HB3  ASN   7           HB3      ASN   7   9.293   7.075   7.370
   59   HD21  ASN   7          HD21      ASN   7   7.385   5.373   8.338
   60   HD22  ASN   7          HD22      ASN   7   7.313   5.498  10.059
   61    H    GLY   8           H        GLY   8  10.148   9.500   5.693
   62    HA2  GLY   8           HA2      GLY   8  12.660   9.318   7.159
   63    HA3  GLY   8           HA3      GLY   8  12.475   9.419   5.414
   64    H    PHE   9           H        PHE   9  10.730  11.735   5.491
   65    HA   PHE   9           HA       PHE   9  12.735  13.758   5.506
   66    HB2  PHE   9           HB2      PHE   9  10.784  13.738   3.955
   67    HB3  PHE   9           HB3      PHE   9   9.735  14.095   5.323
   68    HD1  PHE   9           HD2      PHE   9  12.787  15.413   3.636
   69    HD2  PHE   9           HD1      PHE   9   9.201  16.286   5.755
   70    HE1  PHE   9           HE2      PHE   9  13.181  17.818   3.304
   71    HE2  PHE   9           HE1      PHE   9   9.588  18.694   5.425
   72    HZ   PHE   9           HZ       PHE   9  11.581  19.463   4.199
   73    H    ASP  10           H        ASP  10  10.702  12.470   7.901
   74    HA   ASP  10           HA       ASP  10  10.537  14.844   9.525
   75    HB2  ASP  10           HB2      ASP  10   9.061  12.567   9.425
   76    HB3  ASP  10           HB3      ASP  10  10.103  12.215  10.801
   77    H    ASP  11           H        ASP  11  12.726  12.198   9.127
   78    HA   ASP  11           HA       ASP  11  14.070  12.697  11.657
   79    HB2  ASP  11           HB2      ASP  11  14.059  10.563   9.650
   80    HB3  ASP  11           HB3      ASP  11  15.669  10.944  10.254
   81    H    VAL  12           H        VAL  12  14.504  13.297   8.234
   82    HA   VAL  12           HA       VAL  12  17.215  14.175   8.428
   83    HB   VAL  12           HB       VAL  12  16.099  13.348   6.321
   84   HG11  VAL  12          HG11      VAL  12  14.755  14.827   5.022
   85   HG12  VAL  12          HG12      VAL  12  14.045  14.753   6.636
   86   HG13  VAL  12          HG13      VAL  12  15.009  16.151   6.158
   87   HG21  VAL  12          HG21      VAL  12  17.430  14.704   4.894
   88   HG22  VAL  12          HG22      VAL  12  17.374  16.060   6.020
   89   HG23  VAL  12          HG23      VAL  12  18.278  14.605   6.438
   90    H    HIS  13           H        HIS  13  14.100  15.683   8.802
   91    HA   HIS  13           HA       HIS  13  14.918  18.374   8.486
   92    HB2  HIS  13           HB2      HIS  13  12.510  17.094   8.836
   93    HB3  HIS  13           HB3      HIS  13  12.715  17.930  10.372
   94    HD1  HIS  13           HD1      HIS  13  12.053  20.324  10.408
   95    HD2  HIS  13           HD2      HIS  13  12.688  18.937   6.544
   96    HE1  HIS  13           HE1      HIS  13  11.368  22.212   8.895
   97    H    PHE  14           H        PHE  14  15.216  16.103  11.069
   98    HA   PHE  14           HA       PHE  14  15.742  18.143  13.067
   99    HB2  PHE  14           HB2      PHE  14  14.561  16.207  13.848
  100    HB3  PHE  14           HB3      PHE  14  15.772  15.125  13.168
  101    HD1  PHE  14           HD2      PHE  14  16.044  18.172  15.300
  102    HD2  PHE  14           HD1      PHE  14  16.818  14.008  14.879
  103    HE1  PHE  14           HE2      PHE  14  17.252  18.183  17.443
  104    HE2  PHE  14           HE1      PHE  14  18.026  14.012  17.023
  105    HZ   PHE  14           HZ       PHE  14  18.245  16.102  18.307
  106    H    LEU  15           H        LEU  15  17.490  16.005  10.954
  107    HA   LEU  15           HA       LEU  15  19.994  16.080  12.261
  108    HB2  LEU  15           HB2      LEU  15  18.906  15.064   9.809
  109    HB3  LEU  15           HB3      LEU  15  20.442  15.867   9.492
  110    HG   LEU  15           HG       LEU  15  20.776  13.491   9.834
  111   HD11  LEU  15          HD11      LEU  15  22.552  14.962  10.553
  112   HD12  LEU  15          HD12      LEU  15  22.426  13.596  11.660
  113   HD13  LEU  15          HD13      LEU  15  21.783  15.170  12.126
  114   HD21  LEU  15          HD21      LEU  15  19.761  13.829  12.644
  115   HD22  LEU  15          HD22      LEU  15  20.170  12.336  11.798
  116   HD23  LEU  15          HD23      LEU  15  18.740  13.254  11.325
  117    H    GLY  16           H        GLY  16  18.459  18.186   9.891
  118    HA2  GLY  16           HA2      GLY  16  20.661  19.724   9.137
  119    HA3  GLY  16           HA3      GLY  16  18.999  20.294   9.162
  120    H    SER  17           H        SER  17  18.236  20.593  11.607
  121    HA   SER  17           HA       SER  17  19.497  22.857  12.570
  122    HB2  SER  17           HB2      SER  17  17.931  20.923  14.287
  123    HB3  SER  17           HB3      SER  17  18.114  22.661  14.523
  124    HG   SER  17           HG       SER  17  16.216  21.446  13.204
  125    H    ASN  18           H        ASN  18  20.205  19.504  13.175
  126    HA   ASN  18           HA       ASN  18  21.882  19.980  15.455
  127    HB2  ASN  18           HB2      ASN  18  20.680  17.747  14.337
  128    HB3  ASN  18           HB3      ASN  18  22.392  17.496  14.008
  129   HD21  ASN  18          HD21      ASN  18  20.009  16.910  16.160
  130   HD22  ASN  18          HD22      ASN  18  20.949  16.688  17.592
  131    H    VAL  19           H        VAL  19  22.429  19.298  12.017
  132    HA   VAL  19           HA       VAL  19  25.237  19.239  12.112
  133    HB   VAL  19           HB       VAL  19  23.450  20.041   9.811
  134   HG11  VAL  19          HG11      VAL  19  25.407  19.333   8.423
  135   HG12  VAL  19          HG12      VAL  19  25.670  20.803   9.364
  136   HG13  VAL  19          HG13      VAL  19  26.362  19.273   9.904
  137   HG21  VAL  19          HG21      VAL  19  22.912  17.896   9.616
  138   HG22  VAL  19          HG22      VAL  19  24.617  17.451   9.545
  139   HG23  VAL  19          HG23      VAL  19  23.798  17.553  11.103
  140    H    MET  20           H        MET  20  22.990  21.858  12.195
  141    HA   MET  20           HA       MET  20  24.914  23.862  11.398
  142    HB2  MET  20           HB2      MET  20  22.531  24.149  10.876
  143    HB3  MET  20           HB3      MET  20  22.152  24.155  12.593
  144    HG2  MET  20           HG2      MET  20  23.800  26.153  12.689
  145    HG3  MET  20           HG3      MET  20  23.518  26.237  10.952
  146    HE1  MET  20           HE1      MET  20  19.910  25.616  10.988
  147    HE2  MET  20           HE2      MET  20  20.117  27.250  10.357
  148    HE3  MET  20           HE3      MET  20  21.302  26.001   9.974
  149    H    GLU  21           H        GLU  21  23.447  22.694  14.389
  150    HA   GLU  21           HA       GLU  21  24.565  24.669  16.083
  151    HB2  GLU  21           HB2      GLU  21  22.664  23.383  16.825
  152    HB3  GLU  21           HB3      GLU  21  23.562  21.880  16.662
  153    HG2  GLU  21           HG2      GLU  21  23.447  22.423  18.972
  154    HG3  GLU  21           HG3      GLU  21  25.107  22.680  18.436
  155    H    GLU  22           H        GLU  22  25.747  21.641  14.811
  156    HA   GLU  22           HA       GLU  22  27.989  21.479  16.603
  157    HB2  GLU  22           HB2      GLU  22  28.724  19.626  15.156
  158    HB3  GLU  22           HB3      GLU  22  27.050  19.443  15.660
  159    HG2  GLU  22           HG2      GLU  22  26.281  20.220  13.503
  160    HG3  GLU  22           HG3      GLU  22  27.943  20.510  12.991
  161    H    GLN  23           H        GLN  23  27.387  22.699  13.367
  162    HA   GLN  23           HA       GLN  23  30.188  23.245  12.883
  163    HB2  GLN  23           HB2      GLN  23  27.933  22.884  11.266
  164    HB3  GLN  23           HB3      GLN  23  28.365  24.577  11.070
  165    HG2  GLN  23           HG2      GLN  23  30.758  23.679  10.697
  166    HG3  GLN  23           HG3      GLN  23  29.954  22.136  10.409
  167   HE21  GLN  23          HE21      GLN  23  28.094  22.273   8.832
  168   HE22  GLN  23          HE22      GLN  23  28.348  23.234   7.419
  169    H    ASP  24           H        ASP  24  27.556  24.809  14.364
  170    HA   ASP  24           HA       ASP  24  28.593  27.491  13.926
  171    HB2  ASP  24           HB2      ASP  24  26.133  27.015  13.960
  172    HB3  ASP  24           HB3      ASP  24  26.281  26.623  15.671
  173    H    LEU  25           H        LEU  25  28.825  24.959  16.229
  174    HA   LEU  25           HA       LEU  25  29.758  26.741  18.343
  175    HB2  LEU  25           HB2      LEU  25  29.467  25.010  19.815
  176    HB3  LEU  25           HB3      LEU  25  28.231  24.648  18.612
  177    HG   LEU  25           HG       LEU  25  30.192  23.160  17.608
  178   HD11  LEU  25          HD11      LEU  25  31.940  22.850  18.930
  179   HD12  LEU  25          HD12      LEU  25  30.886  22.306  20.234
  180   HD13  LEU  25          HD13      LEU  25  31.275  24.018  20.072
  181   HD21  LEU  25          HD21      LEU  25  27.832  22.646  18.705
  182   HD22  LEU  25          HD22      LEU  25  28.853  21.978  19.979
  183   HD23  LEU  25          HD23      LEU  25  28.988  21.368  18.329
  184    H    ARG  26           H        ARG  26  30.969  24.623  15.902
  185    HA   ARG  26           HA       ARG  26  33.621  24.496  17.105
  186    HB2  ARG  26           HB2      ARG  26  34.143  22.850  15.540
  187    HB3  ARG  26           HB3      ARG  26  32.438  22.564  15.859
  188    HG2  ARG  26           HG2      ARG  26  31.856  23.784  13.818
  189    HG3  ARG  26           HG3      ARG  26  33.571  24.043  13.494
  190    HD2  ARG  26           HD2      ARG  26  33.930  21.657  13.311
  191    HD3  ARG  26           HD3      ARG  26  32.251  21.344  13.748
  192    HE   ARG  26           HE       ARG  26  31.617  21.876  11.602
  193   HH11  ARG  26          HH12      ARG  26  34.935  22.800  12.113
  194   HH12  ARG  26          HH11      ARG  26  35.235  23.135  10.440
  195   HH21  ARG  26          HH22      ARG  26  32.001  22.314   9.397
  196   HH22  ARG  26          HH21      ARG  26  33.565  22.859   8.896
  197    H    ASP  27           H        ASP  27  31.900  26.099  14.524
  198    HA   ASP  27           HA       ASP  27  34.126  27.068  13.087
  199    HB2  ASP  27           HB2      ASP  27  31.891  27.071  12.119
  200    HB3  ASP  27           HB3      ASP  27  31.335  28.203  13.348
  201    H    ILE  28           H        ILE  28  32.423  28.244  15.917
  202    HA   ILE  28           HA       ILE  28  33.521  30.841  15.980
  203    HB   ILE  28           HB       ILE  28  32.554  29.142  18.282
  204   HG12  ILE  28          HG12      ILE  28  31.069  31.338  16.841
  205   HG13  ILE  28          HG13      ILE  28  30.937  29.645  16.376
  206   HG21  ILE  28          HG21      ILE  28  32.111  31.671  19.066
  207   HG22  ILE  28          HG22      ILE  28  33.579  30.776  19.457
  208   HG23  ILE  28          HG23      ILE  28  33.570  31.906  18.103
  209   HD11  ILE  28          HD11      ILE  28  30.379  30.545  19.176
  210   HD12  ILE  28          HD12      ILE  28  29.149  30.610  17.914
  211   HD13  ILE  28          HD13      ILE  28  29.870  29.065  18.364
  212    H    GLY  29           H        GLY  29  34.787  27.740  16.868
  213    HA2  GLY  29           HA2      GLY  29  37.061  29.007  18.242
  214    HA3  GLY  29           HA3      GLY  29  36.621  27.310  18.355
  215    H    ILE  30           H        ILE  30  36.304  28.199  15.188
  216    HA   ILE  30           HA       ILE  30  39.050  27.322  14.569
  217    HB   ILE  30           HB       ILE  30  36.523  26.780  13.005
  218   HG12  ILE  30          HG12      ILE  30  38.348  24.710  14.190
  219   HG13  ILE  30          HG13      ILE  30  37.106  25.468  15.181
  220   HG21  ILE  30          HG21      ILE  30  39.416  26.281  12.399
  221   HG22  ILE  30          HG22      ILE  30  38.145  25.285  11.691
  222   HG23  ILE  30          HG23      ILE  30  38.180  27.021  11.381
  223   HD11  ILE  30          HD11      ILE  30  35.874  23.738  14.462
  224   HD12  ILE  30          HD12      ILE  30  35.641  24.758  13.041
  225   HD13  ILE  30          HD13      ILE  30  36.865  23.490  13.025
  226    H    SER  31           H        SER  31  36.600  29.678  14.064
  227    HA   SER  31           HA       SER  31  38.152  30.909  11.888
  228    HB2  SER  31           HB2      SER  31  35.336  30.564  12.308
  229    HB3  SER  31           HB3      SER  31  35.701  32.288  12.253
  230    HG   SER  31           HG       SER  31  36.419  32.093  10.225
  231    H    ASP  32           H        ASP  32  37.946  31.031  15.122
  232    HA   ASP  32           HA       ASP  32  37.548  33.642  15.896
  233    HB2  ASP  32           HB2      ASP  32  39.004  31.334  16.954
  234    HB3  ASP  32           HB3      ASP  32  39.685  32.877  17.462
  235    HA   PRO  33           HA       PRO  33  40.746  36.113  14.189
  236    HB2  PRO  33           HB2      PRO  33  41.195  37.882  16.199
  237    HB3  PRO  33           HB3      PRO  33  39.738  37.914  15.199
  238    HG2  PRO  33           HG2      PRO  33  40.133  36.767  17.936
  239    HG3  PRO  33           HG3      PRO  33  38.778  37.724  17.309
  240    HD2  PRO  33           HD2      PRO  33  38.669  35.029  17.553
  241    HD3  PRO  33           HD3      PRO  33  37.813  35.908  16.269
  242    H    GLN  34           H        GLN  34  41.379  35.252  17.592
  243    HA   GLN  34           HA       GLN  34  44.116  35.646  17.628
  244    HB2  GLN  34           HB2      GLN  34  42.385  33.669  19.103
  245    HB3  GLN  34           HB3      GLN  34  44.108  33.823  19.414
  246    HG2  GLN  34           HG2      GLN  34  43.891  35.930  20.332
  247    HG3  GLN  34           HG3      GLN  34  42.348  36.230  19.532
  248   HE21  GLN  34          HE21      GLN  34  43.093  36.471  22.348
  249   HE22  GLN  34          HE22      GLN  34  42.001  35.453  23.217
  250    H    HIS  35           H        HIS  35  42.278  33.103  16.156
  251    HA   HIS  35           HA       HIS  35  44.134  31.058  15.969
  252    HB2  HIS  35           HB2      HIS  35  41.621  31.500  14.970
  253    HB3  HIS  35           HB3      HIS  35  42.596  31.503  13.504
  254    HD1  HIS  35           HD1      HIS  35  40.588  29.259  13.947
  255    HD2  HIS  35           HD2      HIS  35  44.562  29.050  15.139
  256    HE1  HIS  35           HE1      HIS  35  41.113  26.805  14.110
  257    H    ARG  36           H        ARG  36  44.018  34.104  14.296
  258    HA   ARG  36           HA       ARG  36  45.685  33.512  12.119
  259    HB2  ARG  36           HB2      ARG  36  44.822  35.976  13.531
  260    HB3  ARG  36           HB3      ARG  36  46.259  36.103  12.525
  261    HG2  ARG  36           HG2      ARG  36  43.671  34.964  11.513
  262    HG3  ARG  36           HG3      ARG  36  44.059  36.684  11.433
  263    HD2  ARG  36           HD2      ARG  36  46.221  35.021  10.443
  264    HD3  ARG  36           HD3      ARG  36  44.718  34.750   9.562
  265    HE   ARG  36           HE       ARG  36  45.153  37.514   9.826
  266   HH11  ARG  36          HH12      ARG  36  46.433  34.736   8.164
  267   HH12  ARG  36          HH11      ARG  36  47.016  35.650   6.813
  268   HH21  ARG  36          HH22      ARG  36  45.915  38.729   8.052
  269   HH22  ARG  36          HH21      ARG  36  46.722  37.922   6.751
  270    H    ARG  37           H        ARG  37  46.523  35.060  15.224
  271    HA   ARG  37           HA       ARG  37  49.304  35.062  14.777
  272    HB2  ARG  37           HB2      ARG  37  49.514  35.573  17.142
  273    HB3  ARG  37           HB3      ARG  37  48.185  36.491  16.448
  274    HG2  ARG  37           HG2      ARG  37  46.577  35.256  17.556
  275    HG3  ARG  37           HG3      ARG  37  47.655  33.880  17.795
  276    HD2  ARG  37           HD2      ARG  37  48.980  35.816  19.153
  277    HD3  ARG  37           HD3      ARG  37  47.308  36.320  19.399
  278    HE   ARG  37           HE       ARG  37  47.042  34.555  20.819
  279   HH11  ARG  37          HH12      ARG  37  49.811  33.952  18.798
  280   HH12  ARG  37          HH11      ARG  37  50.272  32.508  19.636
  281   HH21  ARG  37          HH22      ARG  37  47.638  32.656  21.931
  282   HH22  ARG  37          HH21      ARG  37  49.035  31.771  21.418
  283    H    LYS  38           H        LYS  38  47.131  32.582  15.738
  284    HA   LYS  38           HA       LYS  38  49.173  30.913  16.936
  285    HB2  LYS  38           HB2      LYS  38  46.241  30.816  16.615
  286    HB3  LYS  38           HB3      LYS  38  47.049  29.254  16.581
  287    HG2  LYS  38           HG2      LYS  38  48.120  29.813  18.742
  288    HG3  LYS  38           HG3      LYS  38  47.175  31.303  18.783
  289    HD2  LYS  38           HD2      LYS  38  45.137  29.740  18.481
  290    HD3  LYS  38           HD3      LYS  38  46.240  28.464  19.002
  291    HE2  LYS  38           HE2      LYS  38  46.556  30.649  20.775
  292    HE3  LYS  38           HE3      LYS  38  44.826  30.367  20.584
  293    HZ1  LYS  38           HZ1      LYS  38  44.975  28.277  21.473
  294    HZ2  LYS  38           HZ2      LYS  38  46.173  29.070  22.366
  295    HZ3  LYS  38           HZ3      LYS  38  46.605  28.079  21.064
  296    H    LEU  39           H        LEU  39  47.672  31.367  13.843
  297    HA   LEU  39           HA       LEU  39  48.775  28.872  12.803
  298    HB2  LEU  39           HB2      LEU  39  46.455  30.149  12.267
  299    HB3  LEU  39           HB3      LEU  39  47.470  30.776  10.970
  300    HG   LEU  39           HG       LEU  39  46.152  28.838  10.258
  301   HD11  LEU  39          HD11      LEU  39  47.907  27.657   9.175
  302   HD12  LEU  39          HD12      LEU  39  49.068  28.111  10.422
  303   HD13  LEU  39          HD13      LEU  39  48.425  29.336   9.328
  304   HD21  LEU  39          HD21      LEU  39  46.206  27.786  12.579
  305   HD22  LEU  39          HD22      LEU  39  47.793  27.160  12.133
  306   HD23  LEU  39          HD23      LEU  39  46.368  26.700  11.199
  307    H    LEU  40           H        LEU  40  49.524  32.203  12.994
  308    HA   LEU  40           HA       LEU  40  51.268  32.217  10.683
  309    HB2  LEU  40           HB2      LEU  40  49.947  34.204  11.500
  310    HB3  LEU  40           HB3      LEU  40  51.068  34.289  12.857
  311    HG   LEU  40           HG       LEU  40  52.786  34.319  10.748
  312   HD11  LEU  40          HD11      LEU  40  51.737  36.147   9.273
  313   HD12  LEU  40          HD12      LEU  40  50.194  35.538   9.871
  314   HD13  LEU  40          HD13      LEU  40  51.280  34.468   8.984
  315   HD21  LEU  40          HD21      LEU  40  53.228  36.512  11.368
  316   HD22  LEU  40          HD22      LEU  40  52.477  35.837  12.814
  317   HD23  LEU  40          HD23      LEU  40  51.536  36.859  11.727
  318    H    GLN  41           H        GLN  41  51.497  31.727  14.118
  319    HA   GLN  41           HA       GLN  41  54.381  31.971  14.158
  320    HB2  GLN  41           HB2      GLN  41  52.271  31.382  16.198
  321    HB3  GLN  41           HB3      GLN  41  53.948  30.988  16.551
  322    HG2  GLN  41           HG2      GLN  41  53.637  33.674  15.499
  323    HG3  GLN  41           HG3      GLN  41  52.712  33.408  16.977
  324   HE21  GLN  41          HE21      GLN  41  54.000  34.726  18.222
  325   HE22  GLN  41          HE22      GLN  41  55.615  34.306  18.670
  326    H    ALA  42           H        ALA  42  52.022  29.509  13.689
  327    HA   ALA  42           HA       ALA  42  53.927  27.360  14.211
  328    HB1  ALA  42           HB1      ALA  42  50.990  27.402  13.583
  329    HB2  ALA  42           HB2      ALA  42  51.932  25.910  13.580
  330    HB3  ALA  42           HB3      ALA  42  51.794  26.863  15.058
  331    H    ALA  43           H        ALA  43  52.455  29.074  11.568
  332    HA   ALA  43           HA       ALA  43  53.214  27.138   9.569
  333    HB1  ALA  43           HB1      ALA  43  52.257  29.974   9.204
  334    HB2  ALA  43           HB2      ALA  43  52.340  28.722   7.965
  335    HB3  ALA  43           HB3      ALA  43  51.214  28.556   9.312
  336    H    ARG  44           H        ARG  44  54.651  29.866  11.111
  337    HA   ARG  44           HA       ARG  44  56.496  30.596   9.093
  338    HB2  ARG  44           HB2      ARG  44  55.781  31.662  11.483
  339    HB3  ARG  44           HB3      ARG  44  57.330  30.946  11.905
  340    HG2  ARG  44           HG2      ARG  44  58.408  32.202  10.114
  341    HG3  ARG  44           HG3      ARG  44  56.853  32.911   9.673
  342    HD2  ARG  44           HD2      ARG  44  56.725  34.142  11.665
  343    HD3  ARG  44           HD3      ARG  44  57.973  33.170  12.445
  344    HE   ARG  44           HE       ARG  44  59.116  34.422  10.229
  345   HH11  ARG  44          HH12      ARG  44  57.738  35.268  13.312
  346   HH12  ARG  44          HH11      ARG  44  58.704  36.694  13.499
  347   HH21  ARG  44          HH22      ARG  44  60.393  36.297  10.464
  348   HH22  ARG  44          HH21      ARG  44  60.214  37.279  11.878
  349    HN1  NH2  45           HN1      NH2  45  56.563  28.223  11.709
  350    HN2  NH2  45           HN2      NH2  45  58.070  27.488  11.274
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1   8.864   4.247  -1.467
    2    H2   ACE   1           H2       ACE   1  10.440   3.514  -1.851
    3    H3   ACE   1           H3       ACE   1   9.006   2.481  -1.639
    4    H    SER   2           H        SER   2  11.678   3.888  -0.190
    5    HA   SER   2           HA       SER   2  10.887   2.804   2.402
    6    HB2  SER   2           HB2      SER   2  13.369   3.050   0.953
    7    HB3  SER   2           HB3      SER   2  13.525   3.785   2.549
    8    HG   SER   2           HG       SER   2  13.399   1.175   1.877
    9    H    LYS   3           H        LYS   3  11.583   5.829   0.833
   10    HA   LYS   3           HA       LYS   3  11.900   7.374   3.212
   11    HB2  LYS   3           HB2      LYS   3  12.133   7.802   0.423
   12    HB3  LYS   3           HB3      LYS   3  10.954   8.963   1.018
   13    HG2  LYS   3           HG2      LYS   3  12.487  10.128   2.193
   14    HG3  LYS   3           HG3      LYS   3  13.425   8.691   2.606
   15    HD2  LYS   3           HD2      LYS   3  13.405   9.459  -0.246
   16    HD3  LYS   3           HD3      LYS   3  14.252  10.555   0.849
   17    HE2  LYS   3           HE2      LYS   3  15.448   8.510   1.745
   18    HE3  LYS   3           HE3      LYS   3  14.772   7.628   0.377
   19    HZ1  LYS   3           HZ1      LYS   3  16.393   8.401  -0.892
   20    HZ2  LYS   3           HZ2      LYS   3  17.066   9.210   0.432
   21    HZ3  LYS   3           HZ3      LYS   3  15.947   9.999  -0.561
   22    H    LEU   4           H        LEU   4   9.187   6.441   1.205
   23    HA   LEU   4           HA       LEU   4   6.938   6.697   1.432
   24    HB2  LEU   4           HB2      LEU   4   7.534   5.647   3.634
   25    HB3  LEU   4           HB3      LEU   4   7.543   7.268   4.326
   26    HG   LEU   4           HG       LEU   4   5.062   7.060   3.090
   27   HD11  LEU   4          HD11      LEU   4   4.212   4.997   3.306
   28   HD12  LEU   4          HD12      LEU   4   5.080   4.684   4.809
   29   HD13  LEU   4          HD13      LEU   4   5.900   4.486   3.260
   30   HD21  LEU   4          HD21      LEU   4   5.818   8.064   5.317
   31   HD22  LEU   4          HD22      LEU   4   5.558   6.454   5.989
   32   HD23  LEU   4          HD23      LEU   4   4.215   7.332   5.255
   33    H    LEU   5           H        LEU   5   8.783   9.095   1.100
   34    HA   LEU   5           HA       LEU   5   8.676  11.378   1.058
   35    HB2  LEU   5           HB2      LEU   5   6.689  10.384  -0.383
   36    HB3  LEU   5           HB3      LEU   5   5.716  11.208   0.833
   37    HG   LEU   5           HG       LEU   5   7.235  13.258   0.198
   38   HD11  LEU   5          HD11      LEU   5   7.622  11.332  -2.042
   39   HD12  LEU   5          HD12      LEU   5   8.765  12.459  -1.313
   40   HD13  LEU   5          HD13      LEU   5   7.507  13.056  -2.395
   41   HD21  LEU   5          HD21      LEU   5   4.718  12.207  -0.787
   42   HD22  LEU   5          HD22      LEU   5   5.498  13.274  -1.955
   43   HD23  LEU   5          HD23      LEU   5   5.153  13.852  -0.324
   44    H    LEU   6           H        LEU   6   8.487  10.214   3.696
   45    HA   LEU   6           HA       LEU   6   7.881  12.485   5.200
   46    HB2  LEU   6           HB2      LEU   6   5.567  11.232   4.444
   47    HB3  LEU   6           HB3      LEU   6   5.869  10.533   6.033
   48    HG   LEU   6           HG       LEU   6   4.397  12.395   6.298
   49   HD11  LEU   6          HD11      LEU   6   5.455  13.377   8.049
   50   HD12  LEU   6          HD12      LEU   6   6.932  13.680   7.135
   51   HD13  LEU   6          HD13      LEU   6   6.596  12.064   7.756
   52   HD21  LEU   6          HD21      LEU   6   6.463  14.108   4.925
   53   HD22  LEU   6          HD22      LEU   6   4.884  14.615   5.526
   54   HD23  LEU   6          HD23      LEU   6   4.993  13.507   4.157
   55    H    ASN   7           H        ASN   7   8.125   8.985   5.098
   56    HA   ASN   7           HA       ASN   7   8.789   8.663   7.854
   57    HB2  ASN   7           HB2      ASN   7   7.864   6.884   6.267
   58    HB3  ASN   7           HB3      ASN   7   9.504   6.744   5.640
   59   HD21  ASN   7          HD21      ASN   7  10.534   5.086   6.457
   60   HD22  ASN   7          HD22      ASN   7  10.401   4.493   8.074
   61    H    GLY   8           H        GLY   8  10.607   9.234   4.915
   62    HA2  GLY   8           HA2      GLY   8  13.135   8.935   6.377
   63    HA3  GLY   8           HA3      GLY   8  12.964   9.047   4.632
   64    H    PHE   9           H        PHE   9  11.236  11.329   4.616
   65    HA   PHE   9           HA       PHE   9  13.209  13.379   4.749
   66    HB2  PHE   9           HB2      PHE   9  10.920  13.064   3.326
   67    HB3  PHE   9           HB3      PHE   9  10.372  14.188   4.566
   68    HD1  PHE   9           HD2      PHE   9  13.281  13.727   2.272
   69    HD2  PHE   9           HD1      PHE   9  10.547  16.424   4.107
   70    HE1  PHE   9           HE2      PHE   9  14.283  15.591   1.018
   71    HE2  PHE   9           HE1      PHE   9  11.544  18.292   2.855
   72    HZ   PHE   9           HZ       PHE   9  13.416  17.877   1.309
   73    H    ASP  10           H        ASP  10  11.265  11.993   7.087
   74    HA   ASP  10           HA       ASP  10  10.723  14.329   8.661
   75    HB2  ASP  10           HB2      ASP  10   9.220  12.545   9.003
   76    HB3  ASP  10           HB3      ASP  10  10.521  11.370   9.172
   77    H    ASP  11           H        ASP  11  13.214  11.848   8.586
   78    HA   ASP  11           HA       ASP  11  14.482  12.729  11.006
   79    HB2  ASP  11           HB2      ASP  11  14.833  10.582   9.069
   80    HB3  ASP  11           HB3      ASP  11  16.371  11.272   9.581
   81    H    VAL  12           H        VAL  12  15.107  13.112   7.539
   82    HA   VAL  12           HA       VAL  12  17.526  14.527   7.767
   83    HB   VAL  12           HB       VAL  12  16.582  13.497   5.662
   84   HG11  VAL  12          HG11      VAL  12  14.331  14.547   5.907
   85   HG12  VAL  12          HG12      VAL  12  15.060  16.092   5.463
   86   HG13  VAL  12          HG13      VAL  12  15.056  14.754   4.313
   87   HG21  VAL  12          HG21      VAL  12  17.906  16.128   5.907
   88   HG22  VAL  12          HG22      VAL  12  18.461  14.645   5.129
   89   HG23  VAL  12          HG23      VAL  12  17.306  15.693   4.306
   90    H    HIS  13           H        HIS  13  14.232  15.495   8.197
   91    HA   HIS  13           HA       HIS  13  14.618  18.294   7.817
   92    HB2  HIS  13           HB2      HIS  13  12.433  16.591   8.242
   93    HB3  HIS  13           HB3      HIS  13  12.451  17.671   9.633
   94    HD1  HIS  13           HD1      HIS  13  10.920  19.556   9.234
   95    HD2  HIS  13           HD2      HIS  13  12.891  18.421   5.757
   96    HE1  HIS  13           HE1      HIS  13  10.120  21.146   7.458
   97    H    PHE  14           H        PHE  14  15.234  16.108  10.404
   98    HA   PHE  14           HA       PHE  14  15.452  18.269  12.360
   99    HB2  PHE  14           HB2      PHE  14  14.345  16.055  12.912
  100    HB3  PHE  14           HB3      PHE  14  15.946  15.328  12.824
  101    HD1  PHE  14           HD1      PHE  14  14.752  18.540  14.289
  102    HD2  PHE  14           HD2      PHE  14  16.598  14.763  14.955
  103    HE1  PHE  14           HE1      PHE  14  15.154  19.155  16.637
  104    HE2  PHE  14           HE2      PHE  14  17.002  15.371  17.305
  105    HZ   PHE  14           HZ       PHE  14  16.279  17.569  18.149
  106    H    LEU  15           H        LEU  15  17.400  16.168  10.406
  107    HA   LEU  15           HA       LEU  15  19.836  16.433  11.826
  108    HB2  LEU  15           HB2      LEU  15  19.064  15.590   9.074
  109    HB3  LEU  15           HB3      LEU  15  20.761  15.916   9.422
  110    HG   LEU  15           HG       LEU  15  19.038  13.870  10.821
  111   HD11  LEU  15          HD11      LEU  15  19.964  12.244   9.507
  112   HD12  LEU  15          HD12      LEU  15  21.401  13.199   9.142
  113   HD13  LEU  15          HD13      LEU  15  19.871  13.568   8.346
  114   HD21  LEU  15          HD21      LEU  15  21.302  13.127  11.685
  115   HD22  LEU  15          HD22      LEU  15  20.646  14.611  12.377
  116   HD23  LEU  15          HD23      LEU  15  21.911  14.693  11.150
  117    H    GLY  16           H        GLY  16  18.256  18.357   9.352
  118    HA2  GLY  16           HA2      GLY  16  20.453  19.975   8.638
  119    HA3  GLY  16           HA3      GLY  16  18.760  20.407   8.451
  120    H    SER  17           H        SER  17  18.013  20.322  11.175
  121    HA   SER  17           HA       SER  17  18.963  22.905  11.990
  122    HB2  SER  17           HB2      SER  17  16.632  21.487  12.391
  123    HB3  SER  17           HB3      SER  17  17.408  21.409  13.973
  124    HG   SER  17           HG       SER  17  17.072  23.817  12.516
  125    H    ASN  18           H        ASN  18  19.477  19.581  12.991
  126    HA   ASN  18           HA       ASN  18  20.867  20.211  15.399
  127    HB2  ASN  18           HB2      ASN  18  19.909  17.876  14.136
  128    HB3  ASN  18           HB3      ASN  18  21.647  17.657  14.324
  129   HD21  ASN  18          HD21      ASN  18  19.476  16.275  15.651
  130   HD22  ASN  18          HD22      ASN  18  19.694  16.535  17.345
  131    H    VAL  19           H        VAL  19  21.934  19.185  12.163
  132    HA   VAL  19           HA       VAL  19  24.668  19.137  12.597
  133    HB   VAL  19           HB       VAL  19  23.270  18.554  10.467
  134   HG11  VAL  19          HG11      VAL  19  23.091  20.159   8.798
  135   HG12  VAL  19          HG12      VAL  19  22.666  21.057  10.256
  136   HG13  VAL  19          HG13      VAL  19  24.276  21.222   9.554
  137   HG21  VAL  19          HG21      VAL  19  26.003  19.781  10.137
  138   HG22  VAL  19          HG22      VAL  19  25.713  18.191  10.843
  139   HG23  VAL  19          HG23      VAL  19  25.277  18.503   9.162
  140    H    MET  20           H        MET  20  22.529  21.856  12.258
  141    HA   MET  20           HA       MET  20  24.566  23.790  11.715
  142    HB2  MET  20           HB2      MET  20  22.251  24.188  11.052
  143    HB3  MET  20           HB3      MET  20  21.741  24.134  12.734
  144    HG2  MET  20           HG2      MET  20  23.353  26.090  13.086
  145    HG3  MET  20           HG3      MET  20  23.348  26.231  11.329
  146    HE1  MET  20           HE1      MET  20  19.838  25.577  13.711
  147    HE2  MET  20           HE2      MET  20  21.413  25.885  14.443
  148    HE3  MET  20           HE3      MET  20  20.202  27.167  14.383
  149    H    GLU  21           H        GLU  21  22.916  22.624  14.606
  150    HA   GLU  21           HA       GLU  21  24.026  24.551  16.375
  151    HB2  GLU  21           HB2      GLU  21  22.033  23.435  17.058
  152    HB3  GLU  21           HB3      GLU  21  22.761  21.851  16.826
  153    HG2  GLU  21           HG2      GLU  21  22.604  22.343  19.173
  154    HG3  GLU  21           HG3      GLU  21  24.298  22.303  18.686
  155    H    GLU  22           H        GLU  22  25.117  21.491  15.122
  156    HA   GLU  22           HA       GLU  22  27.224  21.168  17.056
  157    HB2  GLU  22           HB2      GLU  22  27.202  19.762  14.414
  158    HB3  GLU  22           HB3      GLU  22  27.727  19.171  15.984
  159    HG2  GLU  22           HG2      GLU  22  25.070  19.624  16.407
  160    HG3  GLU  22           HG3      GLU  22  25.096  19.087  14.729
  161    H    GLN  23           H        GLN  23  26.868  22.558  13.870
  162    HA   GLN  23           HA       GLN  23  29.731  22.916  13.546
  163    HB2  GLN  23           HB2      GLN  23  27.533  22.750  11.794
  164    HB3  GLN  23           HB3      GLN  23  28.154  24.388  11.638
  165    HG2  GLN  23           HG2      GLN  23  30.315  23.593  11.036
  166    HG3  GLN  23           HG3      GLN  23  29.874  21.932  11.429
  167   HE21  GLN  23          HE21      GLN  23  28.096  24.398   9.626
  168   HE22  GLN  23          HE22      GLN  23  27.998  23.502   8.152
  169    H    ASP  24           H        ASP  24  27.063  24.622  14.828
  170    HA   ASP  24           HA       ASP  24  28.267  27.243  14.523
  171    HB2  ASP  24           HB2      ASP  24  25.791  26.892  14.426
  172    HB3  ASP  24           HB3      ASP  24  25.831  26.458  16.133
  173    H    LEU  25           H        LEU  25  28.075  24.715  16.891
  174    HA   LEU  25           HA       LEU  25  29.005  26.394  19.059
  175    HB2  LEU  25           HB2      LEU  25  28.620  24.614  20.452
  176    HB3  LEU  25           HB3      LEU  25  27.446  24.317  19.172
  177    HG   LEU  25           HG       LEU  25  29.435  22.835  18.217
  178   HD11  LEU  25          HD11      LEU  25  30.011  21.827  20.790
  179   HD12  LEU  25          HD12      LEU  25  30.351  23.557  20.817
  180   HD13  LEU  25          HD13      LEU  25  31.125  22.525  19.614
  181   HD21  LEU  25          HD21      LEU  25  27.014  22.320  19.175
  182   HD22  LEU  25          HD22      LEU  25  27.961  21.586  20.470
  183   HD23  LEU  25          HD23      LEU  25  28.168  21.039  18.805
  184    H    ARG  26           H        ARG  26  30.354  24.409  16.597
  185    HA   ARG  26           HA       ARG  26  32.921  24.175  17.964
  186    HB2  ARG  26           HB2      ARG  26  33.563  22.672  16.253
  187    HB3  ARG  26           HB3      ARG  26  31.886  22.288  16.615
  188    HG2  ARG  26           HG2      ARG  26  31.208  23.653  14.656
  189    HG3  ARG  26           HG3      ARG  26  32.917  23.862  14.267
  190    HD2  ARG  26           HD2      ARG  26  33.105  21.359  14.204
  191    HD3  ARG  26           HD3      ARG  26  31.348  21.292  14.343
  192    HE   ARG  26           HE       ARG  26  31.771  22.930  12.217
  193   HH11  ARG  26          HH12      ARG  26  32.820  19.719  13.057
  194   HH12  ARG  26          HH11      ARG  26  32.915  19.179  11.413
  195   HH21  ARG  26          HH22      ARG  26  31.893  22.232  10.049
  196   HH22  ARG  26          HH21      ARG  26  32.388  20.610   9.703
  197    H    ASP  27           H        ASP  27  31.397  25.902  15.329
  198    HA   ASP  27           HA       ASP  27  33.698  26.923  14.086
  199    HB2  ASP  27           HB2      ASP  27  31.449  27.023  13.079
  200    HB3  ASP  27           HB3      ASP  27  30.960  28.193  14.302
  201    H    ILE  28           H        ILE  28  31.925  27.945  16.925
  202    HA   ILE  28           HA       ILE  28  32.883  30.528  17.247
  203    HB   ILE  28           HB       ILE  28  32.312  28.499  19.410
  204   HG12  ILE  28          HG12      ILE  28  30.452  30.704  18.628
  205   HG13  ILE  28          HG13      ILE  28  30.524  29.264  17.618
  206   HG21  ILE  28          HG21      ILE  28  31.899  30.541  20.804
  207   HG22  ILE  28          HG22      ILE  28  33.585  30.268  20.366
  208   HG23  ILE  28          HG23      ILE  28  32.640  31.489  19.515
  209   HD11  ILE  28          HD11      ILE  28  30.140  27.960  19.782
  210   HD12  ILE  28          HD12      ILE  28  29.661  29.513  20.470
  211   HD13  ILE  28          HD13      ILE  28  28.781  28.849  19.094
  212    H    GLY  29           H        GLY  29  34.507  27.491  17.667
  213    HA2  GLY  29           HA2      GLY  29  36.839  28.908  18.798
  214    HA3  GLY  29           HA3      GLY  29  36.498  27.204  19.056
  215    H    ILE  30           H        ILE  30  35.780  28.061  15.901
  216    HA   ILE  30           HA       ILE  30  38.416  27.109  14.985
  217    HB   ILE  30           HB       ILE  30  35.727  26.673  13.679
  218   HG12  ILE  30          HG12      ILE  30  37.546  24.515  14.699
  219   HG13  ILE  30          HG13      ILE  30  36.457  25.342  15.807
  220   HG21  ILE  30          HG21      ILE  30  37.239  25.053  12.295
  221   HG22  ILE  30          HG22      ILE  30  37.154  26.764  11.877
  222   HG23  ILE  30          HG23      ILE  30  38.528  26.148  12.796
  223   HD11  ILE  30          HD11      ILE  30  34.764  24.705  13.793
  224   HD12  ILE  30          HD12      ILE  30  35.893  23.350  13.741
  225   HD13  ILE  30          HD13      ILE  30  35.030  23.723  15.233
  226    H    SER  31           H        SER  31  36.040  29.570  14.790
  227    HA   SER  31           HA       SER  31  37.354  30.748  12.436
  228    HB2  SER  31           HB2      SER  31  34.602  30.549  13.236
  229    HB3  SER  31           HB3      SER  31  35.052  32.249  13.118
  230    HG   SER  31           HG       SER  31  35.924  31.693  11.003
  231    H    ASP  32           H        ASP  32  37.557  30.849  15.679
  232    HA   ASP  32           HA       ASP  32  37.414  33.479  16.487
  233    HB2  ASP  32           HB2      ASP  32  38.624  31.064  17.453
  234    HB3  ASP  32           HB3      ASP  32  39.741  32.405  17.689
  235    HA   PRO  33           HA       PRO  33  40.550  35.739  14.412
  236    HB2  PRO  33           HB2      PRO  33  41.330  37.478  16.345
  237    HB3  PRO  33           HB3      PRO  33  39.775  37.601  15.513
  238    HG2  PRO  33           HG2      PRO  33  40.399  36.435  18.198
  239    HG3  PRO  33           HG3      PRO  33  39.046  37.475  17.717
  240    HD2  PRO  33           HD2      PRO  33  38.795  34.793  17.993
  241    HD3  PRO  33           HD3      PRO  33  37.858  35.723  16.805
  242    H    GLN  34           H        GLN  34  41.502  34.848  17.732
  243    HA   GLN  34           HA       GLN  34  44.244  35.067  17.468
  244    HB2  GLN  34           HB2      GLN  34  42.576  33.177  19.122
  245    HB3  GLN  34           HB3      GLN  34  44.328  33.257  19.253
  246    HG2  GLN  34           HG2      GLN  34  43.950  35.777  19.659
  247    HG3  GLN  34           HG3      GLN  34  42.286  35.305  19.999
  248   HE21  GLN  34          HE21      GLN  34  45.437  35.552  21.202
  249   HE22  GLN  34          HE22      GLN  34  45.179  34.778  22.725
  250    H    HIS  35           H        HIS  35  42.105  32.631  16.231
  251    HA   HIS  35           HA       HIS  35  43.786  30.478  15.844
  252    HB2  HIS  35           HB2      HIS  35  41.227  31.085  15.105
  253    HB3  HIS  35           HB3      HIS  35  42.044  31.068  13.545
  254    HD1  HIS  35           HD1      HIS  35  39.968  28.935  14.109
  255    HD2  HIS  35           HD2      HIS  35  44.006  28.463  14.963
  256    HE1  HIS  35           HE1      HIS  35  40.354  26.451  14.180
  257    H    ARG  36           H        ARG  36  43.491  33.426  13.929
  258    HA   ARG  36           HA       ARG  36  45.094  32.658  11.760
  259    HB2  ARG  36           HB2      ARG  36  45.181  34.954  11.178
  260    HB3  ARG  36           HB3      ARG  36  43.613  34.706  11.935
  261    HG2  ARG  36           HG2      ARG  36  44.198  36.590  13.027
  262    HG3  ARG  36           HG3      ARG  36  45.003  35.435  14.091
  263    HD2  ARG  36           HD2      ARG  36  46.735  36.870  13.722
  264    HD3  ARG  36           HD3      ARG  36  46.977  35.771  12.365
  265    HE   ARG  36           HE       ARG  36  45.271  37.916  11.637
  266   HH11  ARG  36          HH12      ARG  36  48.607  37.129  12.247
  267   HH12  ARG  36          HH11      ARG  36  49.225  38.369  11.206
  268   HH21  ARG  36          HH22      ARG  36  46.072  39.551  10.264
  269   HH22  ARG  36          HH21      ARG  36  47.782  39.747  10.079
  270    H    ARG  37           H        ARG  37  45.903  33.841  14.951
  271    HA   ARG  37           HA       ARG  37  48.662  34.343  14.347
  272    HB2  ARG  37           HB2      ARG  37  47.246  34.039  17.002
  273    HB3  ARG  37           HB3      ARG  37  48.904  34.591  16.799
  274    HG2  ARG  37           HG2      ARG  37  47.991  36.473  15.402
  275    HG3  ARG  37           HG3      ARG  37  46.382  35.973  15.929
  276    HD2  ARG  37           HD2      ARG  37  47.765  36.094  18.289
  277    HD3  ARG  37           HD3      ARG  37  48.472  37.423  17.371
  278    HE   ARG  37           HE       ARG  37  45.823  37.292  18.463
  279   HH11  ARG  37          HH12      ARG  37  47.813  38.697  15.976
  280   HH12  ARG  37          HH11      ARG  37  46.797  40.085  15.765
  281   HH21  ARG  37          HH22      ARG  37  44.478  39.114  18.195
  282   HH22  ARG  37          HH21      ARG  37  44.901  40.322  17.029
  283    H    LYS  38           H        LYS  38  46.793  31.661  15.607
  284    HA   LYS  38           HA       LYS  38  49.119  30.126  16.352
  285    HB2  LYS  38           HB2      LYS  38  46.262  29.948  16.731
  286    HB3  LYS  38           HB3      LYS  38  46.901  28.410  16.166
  287    HG2  LYS  38           HG2      LYS  38  47.456  27.976  18.265
  288    HG3  LYS  38           HG3      LYS  38  48.689  29.231  18.128
  289    HD2  LYS  38           HD2      LYS  38  45.932  30.133  18.711
  290    HD3  LYS  38           HD3      LYS  38  46.769  29.261  19.998
  291    HE2  LYS  38           HE2      LYS  38  48.701  30.852  19.639
  292    HE3  LYS  38           HE3      LYS  38  47.621  31.796  18.615
  293    HZ1  LYS  38           HZ1      LYS  38  47.670  32.643  20.877
  294    HZ2  LYS  38           HZ2      LYS  38  47.155  31.147  21.476
  295    HZ3  LYS  38           HZ3      LYS  38  46.128  32.064  20.492
  296    H    LEU  39           H        LEU  39  47.189  30.582  13.535
  297    HA   LEU  39           HA       LEU  39  48.111  28.127  12.276
  298    HB2  LEU  39           HB2      LEU  39  45.812  29.530  12.035
  299    HB3  LEU  39           HB3      LEU  39  46.719  30.160  10.661
  300    HG   LEU  39           HG       LEU  39  45.256  28.329   9.997
  301   HD11  LEU  39          HD11      LEU  39  47.560  28.720   8.982
  302   HD12  LEU  39          HD12      LEU  39  46.804  27.155   8.690
  303   HD13  LEU  39          HD13      LEU  39  48.076  27.306   9.901
  304   HD21  LEU  39          HD21      LEU  39  46.138  27.177  12.427
  305   HD22  LEU  39          HD22      LEU  39  46.644  26.110  11.116
  306   HD23  LEU  39          HD23      LEU  39  44.945  26.554  11.288
  307    H    LEU  40           H        LEU  40  48.965  31.453  12.456
  308    HA   LEU  40           HA       LEU  40  50.442  31.535   9.992
  309    HB2  LEU  40           HB2      LEU  40  49.536  33.581  10.820
  310    HB3  LEU  40           HB3      LEU  40  50.330  33.365  12.379
  311    HG   LEU  40           HG       LEU  40  52.072  33.572   9.987
  312   HD11  LEU  40          HD11      LEU  40  50.082  35.372  10.087
  313   HD12  LEU  40          HD12      LEU  40  51.704  35.743   9.504
  314   HD13  LEU  40          HD13      LEU  40  51.248  36.149  11.158
  315   HD21  LEU  40          HD21      LEU  40  53.608  33.895  11.556
  316   HD22  LEU  40          HD22      LEU  40  52.365  33.598  12.772
  317   HD23  LEU  40          HD23      LEU  40  52.700  35.245  12.236
  318    H    GLN  41           H        GLN  41  51.177  30.998  13.394
  319    HA   GLN  41           HA       GLN  41  54.016  30.963  13.016
  320    HB2  GLN  41           HB2      GLN  41  52.173  30.815  15.228
  321    HB3  GLN  41           HB3      GLN  41  53.392  29.556  15.370
  322    HG2  GLN  41           HG2      GLN  41  55.155  31.221  15.202
  323    HG3  GLN  41           HG3      GLN  41  53.948  32.492  15.015
  324   HE21  GLN  41          HE21      GLN  41  55.995  32.210  17.044
  325   HE22  GLN  41          HE22      GLN  41  55.174  32.156  18.563
  326    H    ALA  42           H        ALA  42  51.458  28.656  12.748
  327    HA   ALA  42           HA       ALA  42  53.223  26.360  12.879
  328    HB1  ALA  42           HB1      ALA  42  51.244  25.636  13.685
  329    HB2  ALA  42           HB2      ALA  42  50.310  26.798  12.742
  330    HB3  ALA  42           HB3      ALA  42  50.912  25.325  11.981
  331    H    ALA  43           H        ALA  43  51.244  27.996  10.418
  332    HA   ALA  43           HA       ALA  43  52.010  26.325   8.272
  333    HB1  ALA  43           HB1      ALA  43  51.150  29.191   7.990
  334    HB2  ALA  43           HB2      ALA  43  50.912  27.857   6.860
  335    HB3  ALA  43           HB3      ALA  43  50.019  27.895   8.381
  336    H    ARG  44           H        ARG  44  53.572  28.961   9.855
  337    HA   ARG  44           HA       ARG  44  55.325  29.645   7.690
  338    HB2  ARG  44           HB2      ARG  44  54.929  31.379   9.240
  339    HB3  ARG  44           HB3      ARG  44  55.250  30.334  10.617
  340    HG2  ARG  44           HG2      ARG  44  57.485  30.620  10.488
  341    HG3  ARG  44           HG3      ARG  44  57.481  30.723   8.727
  342    HD2  ARG  44           HD2      ARG  44  56.133  32.942  10.097
  343    HD3  ARG  44           HD3      ARG  44  57.865  32.827  10.406
  344    HE   ARG  44           HE       ARG  44  57.188  32.633   7.624
  345   HH11  ARG  44          HH12      ARG  44  57.843  34.815  10.256
  346   HH12  ARG  44          HH11      ARG  44  58.346  36.114   9.226
  347   HH21  ARG  44          HH22      ARG  44  57.847  34.336   6.257
  348   HH22  ARG  44          HH21      ARG  44  58.347  35.841   6.952
  349    HN1  NH2  45           HN1      NH2  45  55.316  27.324  10.284
  350    HN2  NH2  45           HN2      NH2  45  56.897  26.672  10.005
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1  -2.532   4.516   4.161
    2    H2   ACE   1           H2       ACE   1  -2.714   4.655   5.927
    3    H3   ACE   1           H3       ACE   1  -1.482   5.621   5.080
    4    H    SER   2           H        SER   2   0.405   4.721   4.480
    5    HA   SER   2           HA       SER   2   1.429   2.637   6.033
    6    HB2  SER   2           HB2      SER   2  -0.110   1.590   4.005
    7    HB3  SER   2           HB3      SER   2   1.510   1.552   3.309
    8    HG   SER   2           HG       SER   2   2.202   0.332   5.052
    9    H    LYS   3           H        LYS   3   1.613   4.459   3.041
   10    HA   LYS   3           HA       LYS   3   4.260   4.105   2.340
   11    HB2  LYS   3           HB2      LYS   3   2.183   6.063   1.815
   12    HB3  LYS   3           HB3      LYS   3   3.771   6.815   1.880
   13    HG2  LYS   3           HG2      LYS   3   4.167   6.131  -0.183
   14    HG3  LYS   3           HG3      LYS   3   4.024   4.454   0.349
   15    HD2  LYS   3           HD2      LYS   3   1.477   4.850   0.134
   16    HD3  LYS   3           HD3      LYS   3   1.938   6.244  -0.847
   17    HE2  LYS   3           HE2      LYS   3   3.455   3.979  -1.688
   18    HE3  LYS   3           HE3      LYS   3   1.752   3.528  -1.623
   19    HZ1  LYS   3           HZ1      LYS   3   1.805   4.414  -3.687
   20    HZ2  LYS   3           HZ2      LYS   3   3.100   5.449  -3.353
   21    HZ3  LYS   3           HZ3      LYS   3   1.540   5.854  -2.839
   22    H    LEU   4           H        LEU   4   2.947   6.652   4.464
   23    HA   LEU   4           HA       LEU   4   3.949   8.015   5.993
   24    HB2  LEU   4           HB2      LEU   4   4.035   5.753   7.073
   25    HB3  LEU   4           HB3      LEU   4   5.697   5.616   6.503
   26    HG   LEU   4           HG       LEU   4   5.758   7.989   7.858
   27   HD11  LEU   4          HD11      LEU   4   3.415   7.510   8.627
   28   HD12  LEU   4          HD12      LEU   4   4.594   7.772   9.912
   29   HD13  LEU   4          HD13      LEU   4   4.068   6.135   9.519
   30   HD21  LEU   4          HD21      LEU   4   7.510   6.543   8.216
   31   HD22  LEU   4          HD22      LEU   4   6.453   5.169   8.544
   32   HD23  LEU   4          HD23      LEU   4   6.658   6.435   9.756
   33    H    LEU   5           H        LEU   5   4.972   8.299   3.386
   34    HA   LEU   5           HA       LEU   5   7.800   8.288   3.309
   35    HB2  LEU   5           HB2      LEU   5   7.613   9.472   1.280
   36    HB3  LEU   5           HB3      LEU   5   6.236   8.375   1.344
   37    HG   LEU   5           HG       LEU   5   5.179  10.666   2.393
   38   HD11  LEU   5          HD11      LEU   5   7.128  11.451   0.232
   39   HD12  LEU   5          HD12      LEU   5   7.154  11.975   1.915
   40   HD13  LEU   5          HD13      LEU   5   5.835  12.474   0.857
   41   HD21  LEU   5          HD21      LEU   5   5.217  10.102  -0.557
   42   HD22  LEU   5          HD22      LEU   5   3.909  10.767   0.421
   43   HD23  LEU   5          HD23      LEU   5   4.357   9.069   0.585
   44    H    LEU   6           H        LEU   6   5.455  10.550   4.526
   45    HA   LEU   6           HA       LEU   6   7.033  12.870   4.597
   46    HB2  LEU   6           HB2      LEU   6   4.591  11.905   5.953
   47    HB3  LEU   6           HB3      LEU   6   5.461  13.216   6.747
   48    HG   LEU   6           HG       LEU   6   3.587  13.955   5.282
   49   HD11  LEU   6          HD11      LEU   6   5.706  15.287   5.841
   50   HD12  LEU   6          HD12      LEU   6   4.705  15.843   4.500
   51   HD13  LEU   6          HD13      LEU   6   6.191  14.948   4.179
   52   HD21  LEU   6          HD21      LEU   6   3.950  13.917   2.850
   53   HD22  LEU   6          HD22      LEU   6   3.782  12.296   3.526
   54   HD23  LEU   6          HD23      LEU   6   5.378  12.911   3.091
   55    H    ASN   7           H        ASN   7   6.432  10.444   7.138
   56    HA   ASN   7           HA       ASN   7   8.067  11.519   9.106
   57    HB2  ASN   7           HB2      ASN   7   6.450   9.428   9.088
   58    HB3  ASN   7           HB3      ASN   7   7.944   8.550   8.776
   59   HD21  ASN   7          HD21      ASN   7   5.942   9.178  11.135
   60   HD22  ASN   7          HD22      ASN   7   7.020   9.334  12.476
   61    H    GLY   8           H        GLY   8   8.900   9.745   6.230
   62    HA2  GLY   8           HA2      GLY   8  11.581   9.120   7.056
   63    HA3  GLY   8           HA3      GLY   8  10.922   8.953   5.435
   64    H    PHE   9           H        PHE   9  10.127  11.553   4.918
   65    HA   PHE   9           HA       PHE   9  12.621  12.738   4.216
   66    HB2  PHE   9           HB2      PHE   9  10.283  12.852   3.026
   67    HB3  PHE   9           HB3      PHE   9  10.036  14.244   4.075
   68    HD1  PHE   9           HD1      PHE   9  12.854  12.929   2.005
   69    HD2  PHE   9           HD2      PHE   9  10.383  16.242   3.022
   70    HE1  PHE   9           HE1      PHE   9  14.097  14.338   0.417
   71    HE2  PHE   9           HE2      PHE   9  11.621  17.657   1.435
   72    HZ   PHE   9           HZ       PHE   9  13.480  16.705   0.129
   73    H    ASP  10           H        ASP  10  10.794  12.813   7.025
   74    HA   ASP  10           HA       ASP  10  11.489  15.513   7.811
   75    HB2  ASP  10           HB2      ASP  10   9.709  13.417   8.774
   76    HB3  ASP  10           HB3      ASP  10  10.604  14.181  10.084
   77    H    ASP  11           H        ASP  11  12.796  12.338   8.093
   78    HA   ASP  11           HA       ASP  11  14.589  13.102  10.265
   79    HB2  ASP  11           HB2      ASP  11  13.671  10.571   9.076
   80    HB3  ASP  11           HB3      ASP  11  15.376  10.592   9.520
   81    H    VAL  12           H        VAL  12  14.509  13.364   6.961
   82    HA   VAL  12           HA       VAL  12  17.426  13.110   6.681
   83    HB   VAL  12           HB       VAL  12  15.897  11.878   5.074
   84   HG11  VAL  12          HG11      VAL  12  14.895  13.138   3.267
   85   HG12  VAL  12          HG12      VAL  12  14.256  13.702   4.812
   86   HG13  VAL  12          HG13      VAL  12  15.477  14.650   3.962
   87   HG21  VAL  12          HG21      VAL  12  17.415  12.084   3.327
   88   HG22  VAL  12          HG22      VAL  12  17.660  13.807   3.610
   89   HG23  VAL  12          HG23      VAL  12  18.347  12.624   4.723
   90    H    HIS  13           H        HIS  13  14.822  15.361   6.746
   91    HA   HIS  13           HA       HIS  13  16.262  17.484   5.423
   92    HB2  HIS  13           HB2      HIS  13  13.581  16.985   5.999
   93    HB3  HIS  13           HB3      HIS  13  14.002  18.346   7.035
   94    HD1  HIS  13           HD1      HIS  13  14.397  20.598   5.918
   95    HD2  HIS  13           HD2      HIS  13  13.755  17.510   3.214
   96    HE1  HIS  13           HE1      HIS  13  14.081  21.714   3.686
   97    H    PHE  14           H        PHE  14  16.067  16.203   8.581
   98    HA   PHE  14           HA       PHE  14  16.887  18.659   9.892
   99    HB2  PHE  14           HB2      PHE  14  16.338  17.642  11.853
  100    HB3  PHE  14           HB3      PHE  14  15.423  16.582  10.785
  101    HD1  PHE  14           HD1      PHE  14  18.391  16.898  12.893
  102    HD2  PHE  14           HD2      PHE  14  16.155  14.326  10.344
  103    HE1  PHE  14           HE1      PHE  14  19.663  14.967  13.733
  104    HE2  PHE  14           HE2      PHE  14  17.423  12.390  11.180
  105    HZ   PHE  14           HZ       PHE  14  19.179  12.709  12.877
  106    H    LEU  15           H        LEU  15  18.325  15.878   8.474
  107    HA   LEU  15           HA       LEU  15  20.718  15.680   9.891
  108    HB2  LEU  15           HB2      LEU  15  19.712  14.242   7.960
  109    HB3  LEU  15           HB3      LEU  15  20.649  15.318   6.926
  110    HG   LEU  15           HG       LEU  15  21.819  13.213   7.375
  111   HD11  LEU  15          HD11      LEU  15  23.444  15.145   8.902
  112   HD12  LEU  15          HD12      LEU  15  22.879  15.676   7.318
  113   HD13  LEU  15          HD13      LEU  15  23.843  14.207   7.462
  114   HD21  LEU  15          HD21      LEU  15  22.433  12.487   9.497
  115   HD22  LEU  15          HD22      LEU  15  20.777  13.048   9.726
  116   HD23  LEU  15          HD23      LEU  15  22.130  14.061  10.232
  117    H    GLY  16           H        GLY  16  19.947  17.638   7.020
  118    HA2  GLY  16           HA2      GLY  16  22.450  18.779   6.610
  119    HA3  GLY  16           HA3      GLY  16  20.923  19.541   6.189
  120    H    SER  17           H        SER  17  19.728  20.287   8.359
  121    HA   SER  17           HA       SER  17  21.082  22.515   9.284
  122    HB2  SER  17           HB2      SER  17  18.668  22.322   9.482
  123    HB3  SER  17           HB3      SER  17  18.836  20.980  10.614
  124    HG   SER  17           HG       SER  17  19.175  23.706  11.018
  125    H    ASN  18           H        ASN  18  21.030  19.249  10.558
  126    HA   ASN  18           HA       ASN  18  22.243  19.819  13.052
  127    HB2  ASN  18           HB2      ASN  18  21.076  17.618  11.981
  128    HB3  ASN  18           HB3      ASN  18  22.775  17.175  11.840
  129   HD21  ASN  18          HD21      ASN  18  20.168  16.912  13.755
  130   HD22  ASN  18          HD22      ASN  18  20.934  16.714  15.291
  131    H    VAL  19           H        VAL  19  23.554  18.749   9.932
  132    HA   VAL  19           HA       VAL  19  26.233  18.503  10.735
  133    HB   VAL  19           HB       VAL  19  25.288  19.305   7.983
  134   HG11  VAL  19          HG11      VAL  19  27.308  18.165   7.229
  135   HG12  VAL  19          HG12      VAL  19  27.701  19.470   8.350
  136   HG13  VAL  19          HG13      VAL  19  27.732  17.794   8.899
  137   HG21  VAL  19          HG21      VAL  19  25.753  16.549   8.049
  138   HG22  VAL  19          HG22      VAL  19  24.777  16.897   9.476
  139   HG23  VAL  19          HG23      VAL  19  24.200  17.367   7.877
  140    H    MET  20           H        MET  20  24.294  21.277  10.043
  141    HA   MET  20           HA       MET  20  26.577  23.035   9.687
  142    HB2  MET  20           HB2      MET  20  24.554  23.447   8.380
  143    HB3  MET  20           HB3      MET  20  23.618  23.633   9.857
  144    HG2  MET  20           HG2      MET  20  25.216  25.544  10.416
  145    HG3  MET  20           HG3      MET  20  25.709  25.453   8.726
  146    HE1  MET  20           HE1      MET  20  23.132  28.091  10.455
  147    HE2  MET  20           HE2      MET  20  22.058  26.735  10.802
  148    HE3  MET  20           HE3      MET  20  23.753  26.665  11.287
  149    H    GLU  21           H        GLU  21  24.183  22.248  12.141
  150    HA   GLU  21           HA       GLU  21  24.913  24.348  13.927
  151    HB2  GLU  21           HB2      GLU  21  22.727  23.417  14.150
  152    HB3  GLU  21           HB3      GLU  21  23.367  21.787  14.303
  153    HG2  GLU  21           HG2      GLU  21  23.695  21.996  16.496
  154    HG3  GLU  21           HG3      GLU  21  24.375  23.615  16.334
  155    H    GLU  22           H        GLU  22  26.097  21.148  13.297
  156    HA   GLU  22           HA       GLU  22  27.578  20.956  15.769
  157    HB2  GLU  22           HB2      GLU  22  28.462  18.873  14.833
  158    HB3  GLU  22           HB3      GLU  22  26.709  18.932  14.709
  159    HG2  GLU  22           HG2      GLU  22  27.285  18.123  12.648
  160    HG3  GLU  22           HG3      GLU  22  27.177  19.852  12.324
  161    H    GLN  23           H        GLN  23  28.178  21.893  12.450
  162    HA   GLN  23           HA       GLN  23  31.043  22.077  12.860
  163    HB2  GLN  23           HB2      GLN  23  29.401  21.738  10.629
  164    HB3  GLN  23           HB3      GLN  23  30.058  23.359  10.451
  165    HG2  GLN  23           HG2      GLN  23  32.334  22.288  10.902
  166    HG3  GLN  23           HG3      GLN  23  31.523  20.752  10.603
  167   HE21  GLN  23          HE21      GLN  23  30.144  20.805   8.536
  168   HE22  GLN  23          HE22      GLN  23  30.915  21.479   7.145
  169    H    ASP  24           H        ASP  24  28.284  24.077  13.172
  170    HA   ASP  24           HA       ASP  24  29.684  26.578  12.854
  171    HB2  ASP  24           HB2      ASP  24  27.287  26.382  12.306
  172    HB3  ASP  24           HB3      ASP  24  26.938  26.017  13.994
  173    H    LEU  25           H        LEU  25  28.900  24.398  15.442
  174    HA   LEU  25           HA       LEU  25  29.494  26.308  17.527
  175    HB2  LEU  25           HB2      LEU  25  28.880  24.663  19.042
  176    HB3  LEU  25           HB3      LEU  25  27.847  24.349  17.648
  177    HG   LEU  25           HG       LEU  25  29.830  22.666  17.064
  178   HD11  LEU  25          HD11      LEU  25  31.304  22.449  18.708
  179   HD12  LEU  25          HD12      LEU  25  30.018  21.737  19.682
  180   HD13  LEU  25          HD13      LEU  25  30.347  23.467  19.784
  181   HD21  LEU  25          HD21      LEU  25  28.400  20.967  17.684
  182   HD22  LEU  25          HD22      LEU  25  27.299  22.341  17.580
  183   HD23  LEU  25          HD23      LEU  25  27.881  21.793  19.153
  184    H    ARG  26           H        ARG  26  31.180  23.913  15.680
  185    HA   ARG  26           HA       ARG  26  33.454  23.888  17.500
  186    HB2  ARG  26           HB2      ARG  26  34.377  22.182  16.078
  187    HB3  ARG  26           HB3      ARG  26  32.685  21.802  16.372
  188    HG2  ARG  26           HG2      ARG  26  32.558  21.511  14.167
  189    HG3  ARG  26           HG3      ARG  26  32.550  23.274  14.075
  190    HD2  ARG  26           HD2      ARG  26  34.203  22.297  12.556
  191    HD3  ARG  26           HD3      ARG  26  34.966  23.288  13.799
  192    HE   ARG  26           HE       ARG  26  35.982  21.407  14.643
  193   HH11  ARG  26          HH12      ARG  26  33.523  20.487  12.356
  194   HH12  ARG  26          HH11      ARG  26  34.004  18.823  12.310
  195   HH21  ARG  26          HH22      ARG  26  36.624  19.219  14.591
  196   HH22  ARG  26          HH21      ARG  26  35.767  18.103  13.583
  197    H    ASP  27           H        ASP  27  32.470  25.265  14.451
  198    HA   ASP  27           HA       ASP  27  34.955  26.010  13.417
  199    HB2  ASP  27           HB2      ASP  27  33.084  26.220  11.985
  200    HB3  ASP  27           HB3      ASP  27  32.205  27.211  13.146
  201    H    ILE  28           H        ILE  28  32.857  27.622  15.754
  202    HA   ILE  28           HA       ILE  28  34.133  30.078  15.932
  203    HB   ILE  28           HB       ILE  28  32.859  28.518  18.183
  204   HG12  ILE  28          HG12      ILE  28  31.375  28.883  16.235
  205   HG13  ILE  28          HG13      ILE  28  30.838  29.771  17.657
  206   HG21  ILE  28          HG21      ILE  28  32.439  30.960  18.976
  207   HG22  ILE  28          HG22      ILE  28  34.000  30.198  19.278
  208   HG23  ILE  28          HG23      ILE  28  33.818  31.336  17.943
  209   HD11  ILE  28          HD11      ILE  28  30.657  31.070  15.582
  210   HD12  ILE  28          HD12      ILE  28  31.736  31.819  16.759
  211   HD13  ILE  28          HD13      ILE  28  32.404  30.953  15.376
  212    H    GLY  29           H        GLY  29  35.143  26.965  17.086
  213    HA2  GLY  29           HA2      GLY  29  37.192  28.087  18.824
  214    HA3  GLY  29           HA3      GLY  29  36.859  26.381  18.571
  215    H    ILE  30           H        ILE  30  36.902  26.898  15.589
  216    HA   ILE  30           HA       ILE  30  39.795  26.612  15.308
  217    HB   ILE  30           HB       ILE  30  37.717  26.208  13.162
  218   HG12  ILE  30          HG12      ILE  30  38.874  24.152  15.058
  219   HG13  ILE  30          HG13      ILE  30  37.226  24.767  15.107
  220   HG21  ILE  30          HG21      ILE  30  39.983  24.514  12.933
  221   HG22  ILE  30          HG22      ILE  30  39.458  25.802  11.851
  222   HG23  ILE  30          HG23      ILE  30  40.551  26.164  13.187
  223   HD11  ILE  30          HD11      ILE  30  36.730  23.769  12.990
  224   HD12  ILE  30          HD12      ILE  30  38.415  23.292  12.773
  225   HD13  ILE  30          HD13      ILE  30  37.445  22.547  14.042
  226    H    SER  31           H        SER  31  37.484  29.008  15.027
  227    HA   SER  31           HA       SER  31  39.105  30.494  13.065
  228    HB2  SER  31           HB2      SER  31  36.268  30.089  13.262
  229    HB3  SER  31           HB3      SER  31  36.625  31.807  13.438
  230    HG   SER  31           HG       SER  31  36.405  30.665  11.212
  231    H    ASP  32           H        ASP  32  38.681  30.184  16.267
  232    HA   ASP  32           HA       ASP  32  38.195  32.652  17.366
  233    HB2  ASP  32           HB2      ASP  32  39.507  30.219  18.196
  234    HB3  ASP  32           HB3      ASP  32  40.361  31.621  18.836
  235    HA   PRO  33           HA       PRO  33  41.417  35.411  16.255
  236    HB2  PRO  33           HB2      PRO  33  41.829  36.779  18.564
  237    HB3  PRO  33           HB3      PRO  33  40.384  36.990  17.567
  238    HG2  PRO  33           HG2      PRO  33  40.751  35.357  20.049
  239    HG3  PRO  33           HG3      PRO  33  39.399  36.408  19.592
  240    HD2  PRO  33           HD2      PRO  33  39.303  33.715  19.330
  241    HD3  PRO  33           HD3      PRO  33  38.458  34.813  18.220
  242    H    GLN  34           H        GLN  34  41.999  33.880  19.420
  243    HA   GLN  34           HA       GLN  34  44.737  34.289  19.583
  244    HB2  GLN  34           HB2      GLN  34  44.694  32.117  20.960
  245    HB3  GLN  34           HB3      GLN  34  43.717  33.467  21.521
  246    HG2  GLN  34           HG2      GLN  34  41.726  32.461  20.860
  247    HG3  GLN  34           HG3      GLN  34  42.546  31.332  19.783
  248   HE21  GLN  34          HE21      GLN  34  42.606  29.338  20.499
  249   HE22  GLN  34          HE22      GLN  34  42.637  28.843  22.154
  250    H    HIS  35           H        HIS  35  42.954  32.167  17.541
  251    HA   HIS  35           HA       HIS  35  44.932  30.230  17.012
  252    HB2  HIS  35           HB2      HIS  35  42.310  30.708  16.192
  253    HB3  HIS  35           HB3      HIS  35  43.256  30.813  14.710
  254    HD1  HIS  35           HD1      HIS  35  41.422  28.533  14.720
  255    HD2  HIS  35           HD2      HIS  35  45.167  28.283  16.503
  256    HE1  HIS  35           HE1      HIS  35  41.959  26.078  14.816
  257    H    ARG  36           H        ARG  36  43.888  32.867  14.845
  258    HA   ARG  36           HA       ARG  36  46.074  32.704  13.118
  259    HB2  ARG  36           HB2      ARG  36  44.126  34.898  13.761
  260    HB3  ARG  36           HB3      ARG  36  45.445  35.172  12.631
  261    HG2  ARG  36           HG2      ARG  36  44.560  33.045  11.455
  262    HG3  ARG  36           HG3      ARG  36  43.088  33.356  12.377
  263    HD2  ARG  36           HD2      ARG  36  42.986  35.617  11.424
  264    HD3  ARG  36           HD3      ARG  36  44.440  35.278  10.486
  265    HE   ARG  36           HE       ARG  36  42.435  33.342   9.971
  266   HH11  ARG  36          HH12      ARG  36  43.326  36.637   9.285
  267   HH12  ARG  36          HH11      ARG  36  42.492  36.684   7.767
  268   HH21  ARG  36          HH22      ARG  36  41.332  33.392   7.975
  269   HH22  ARG  36          HH21      ARG  36  41.357  34.838   7.024
  270    H    ARG  37           H        ARG  37  45.838  34.017  16.276
  271    HA   ARG  37           HA       ARG  37  48.122  35.772  16.008
  272    HB2  ARG  37           HB2      ARG  37  46.529  34.907  18.427
  273    HB3  ARG  37           HB3      ARG  37  47.832  36.087  18.463
  274    HG2  ARG  37           HG2      ARG  37  45.986  36.856  16.443
  275    HG3  ARG  37           HG3      ARG  37  45.091  36.506  17.924
  276    HD2  ARG  37           HD2      ARG  37  46.074  38.207  19.084
  277    HD3  ARG  37           HD3      ARG  37  47.572  38.117  18.158
  278    HE   ARG  37           HE       ARG  37  45.737  39.027  16.366
  279   HH11  ARG  37          HH12      ARG  37  46.790  40.059  19.520
  280   HH12  ARG  37          HH11      ARG  37  46.476  41.736  19.219
  281   HH21  ARG  37          HH22      ARG  37  45.320  41.232  15.958
  282   HH22  ARG  37          HH21      ARG  37  45.639  42.402  17.193
  283    H    LYS  38           H        LYS  38  47.419  32.560  17.227
  284    HA   LYS  38           HA       LYS  38  50.102  32.237  18.295
  285    HB2  LYS  38           HB2      LYS  38  48.034  31.280  19.393
  286    HB3  LYS  38           HB3      LYS  38  47.943  30.141  18.057
  287    HG2  LYS  38           HG2      LYS  38  49.651  28.892  18.826
  288    HG3  LYS  38           HG3      LYS  38  50.540  30.290  19.437
  289    HD2  LYS  38           HD2      LYS  38  49.913  29.109  21.361
  290    HD3  LYS  38           HD3      LYS  38  48.733  30.416  21.246
  291    HE2  LYS  38           HE2      LYS  38  47.118  28.892  21.310
  292    HE3  LYS  38           HE3      LYS  38  47.681  28.287  19.753
  293    HZ1  LYS  38           HZ1      LYS  38  48.958  26.647  20.770
  294    HZ2  LYS  38           HZ2      LYS  38  47.528  26.646  21.671
  295    HZ3  LYS  38           HZ3      LYS  38  48.914  27.396  22.286
  296    H    LEU  39           H        LEU  39  48.432  31.705  15.367
  297    HA   LEU  39           HA       LEU  39  50.324  29.685  14.440
  298    HB2  LEU  39           HB2      LEU  39  47.743  29.787  13.999
  299    HB3  LEU  39           HB3      LEU  39  48.214  30.894  12.710
  300    HG   LEU  39           HG       LEU  39  49.821  28.539  12.538
  301   HD11  LEU  39          HD11      LEU  39  46.869  28.082  12.858
  302   HD12  LEU  39          HD12      LEU  39  48.202  27.259  13.667
  303   HD13  LEU  39          HD13      LEU  39  47.908  26.984  11.950
  304   HD21  LEU  39          HD21      LEU  39  47.627  29.644  10.787
  305   HD22  LEU  39          HD22      LEU  39  48.807  28.424  10.308
  306   HD23  LEU  39          HD23      LEU  39  49.339  30.060  10.702
  307    H    LEU  40           H        LEU  40  49.764  33.069  14.280
  308    HA   LEU  40           HA       LEU  40  51.246  33.524  11.859
  309    HB2  LEU  40           HB2      LEU  40  49.517  35.074  12.483
  310    HB3  LEU  40           HB3      LEU  40  50.298  35.382  14.033
  311    HG   LEU  40           HG       LEU  40  52.170  36.030  12.017
  312   HD11  LEU  40          HD11      LEU  40  49.691  37.622  11.548
  313   HD12  LEU  40          HD12      LEU  40  49.937  36.112  10.672
  314   HD13  LEU  40          HD13      LEU  40  51.111  37.419  10.521
  315   HD21  LEU  40          HD21      LEU  40  51.585  38.389  12.935
  316   HD22  LEU  40          HD22      LEU  40  52.309  37.192  14.009
  317   HD23  LEU  40          HD23      LEU  40  50.573  37.499  14.073
  318    H    GLN  41           H        GLN  41  51.896  33.670  15.321
  319    HA   GLN  41           HA       GLN  41  54.537  34.734  15.011
  320    HB2  GLN  41           HB2      GLN  41  52.904  34.771  17.079
  321    HB3  GLN  41           HB3      GLN  41  53.691  33.246  17.462
  322    HG2  GLN  41           HG2      GLN  41  55.862  34.363  17.455
  323    HG3  GLN  41           HG3      GLN  41  55.072  35.892  17.073
  324   HE21  GLN  41          HE21      GLN  41  56.712  35.348  19.336
  325   HE22  GLN  41          HE22      GLN  41  55.735  35.559  20.745
  326    H    ALA  42           H        ALA  42  53.121  31.585  14.965
  327    HA   ALA  42           HA       ALA  42  55.667  30.236  15.375
  328    HB1  ALA  42           HB1      ALA  42  52.922  29.128  14.797
  329    HB2  ALA  42           HB2      ALA  42  54.357  28.169  15.162
  330    HB3  ALA  42           HB3      ALA  42  53.689  29.255  16.381
  331    H    ALA  43           H        ALA  43  53.546  31.182  12.785
  332    HA   ALA  43           HA       ALA  43  54.810  29.489  10.818
  333    HB1  ALA  43           HB1      ALA  43  53.397  30.821   9.214
  334    HB2  ALA  43           HB2      ALA  43  52.511  29.939  10.459
  335    HB3  ALA  43           HB3      ALA  43  52.756  31.679  10.616
  336    H    ARG  44           H        ARG  44  55.286  32.644  12.121
  337    HA   ARG  44           HA       ARG  44  56.631  33.831   9.931
  338    HB2  ARG  44           HB2      ARG  44  55.733  34.740  12.326
  339    HB3  ARG  44           HB3      ARG  44  57.460  34.643  12.646
  340    HG2  ARG  44           HG2      ARG  44  57.911  36.076  10.733
  341    HG3  ARG  44           HG3      ARG  44  56.186  36.150  10.372
  342    HD2  ARG  44           HD2      ARG  44  56.304  38.050  11.588
  343    HD3  ARG  44           HD3      ARG  44  56.145  36.930  12.940
  344    HE   ARG  44           HE       ARG  44  58.288  37.433  13.556
  345   HH11  ARG  44          HH12      ARG  44  57.783  38.463  10.269
  346   HH12  ARG  44          HH11      ARG  44  59.308  39.277  10.152
  347   HH21  ARG  44          HH22      ARG  44  60.298  38.502  13.415
  348   HH22  ARG  44          HH21      ARG  44  60.738  39.298  11.942
  349    HN1  NH2  45           HN1      NH2  45  57.685  31.814  12.634
  350    HN2  NH2  45           HN2      NH2  45  59.325  31.621  12.111
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1   6.637  12.817  -2.872
    2    H2   ACE   1           H2       ACE   1   5.346  13.064  -4.072
    3    H3   ACE   1           H3       ACE   1   5.235  13.839  -2.473
    4    H    SER   2           H        SER   2   6.453  11.284  -1.391
    5    HA   SER   2           HA       SER   2   3.958   9.715  -1.366
    6    HB2  SER   2           HB2      SER   2   6.624   8.458  -0.804
    7    HB3  SER   2           HB3      SER   2   5.139   7.706  -1.386
    8    HG   SER   2           HG       SER   2   5.863   8.001  -3.323
    9    H    LYS   3           H        LYS   3   3.752   8.340   0.635
   10    HA   LYS   3           HA       LYS   3   4.232  10.026   2.949
   11    HB2  LYS   3           HB2      LYS   3   2.024   9.135   2.782
   12    HB3  LYS   3           HB3      LYS   3   2.631   7.504   2.529
   13    HG2  LYS   3           HG2      LYS   3   2.670   7.105   4.707
   14    HG3  LYS   3           HG3      LYS   3   3.597   8.574   5.021
   15    HD2  LYS   3           HD2      LYS   3   1.650   9.880   5.238
   16    HD3  LYS   3           HD3      LYS   3   0.635   8.635   4.506
   17    HE2  LYS   3           HE2      LYS   3   0.953   7.203   6.435
   18    HE3  LYS   3           HE3      LYS   3   2.059   8.373   7.153
   19    HZ1  LYS   3           HZ1      LYS   3   0.288   9.927   7.402
   20    HZ2  LYS   3           HZ2      LYS   3  -0.231   8.456   8.055
   21    HZ3  LYS   3           HZ3      LYS   3  -0.786   8.949   6.535
   22    H    LEU   4           H        LEU   4   5.108   6.811   1.778
   23    HA   LEU   4           HA       LEU   4   6.420   5.883   4.067
   24    HB2  LEU   4           HB2      LEU   4   5.808   4.750   1.765
   25    HB3  LEU   4           HB3      LEU   4   7.468   5.190   1.368
   26    HG   LEU   4           HG       LEU   4   8.169   3.914   3.434
   27   HD11  LEU   4          HD11      LEU   4   6.550   2.179   4.187
   28   HD12  LEU   4          HD12      LEU   4   5.296   3.022   3.280
   29   HD13  LEU   4          HD13      LEU   4   6.099   3.826   4.629
   30   HD21  LEU   4          HD21      LEU   4   7.708   1.663   2.288
   31   HD22  LEU   4          HD22      LEU   4   8.627   2.875   1.397
   32   HD23  LEU   4          HD23      LEU   4   6.920   2.620   1.034
   33    H    LEU   5           H        LEU   5   7.393   8.163   1.644
   34    HA   LEU   5           HA       LEU   5  10.196   8.058   2.257
   35    HB2  LEU   5           HB2      LEU   5   8.445   9.518   0.425
   36    HB3  LEU   5           HB3      LEU   5   9.794  10.475   1.035
   37    HG   LEU   5           HG       LEU   5  10.821   7.964   0.198
   38   HD11  LEU   5          HD11      LEU   5   8.576   8.103  -1.133
   39   HD12  LEU   5          HD12      LEU   5  10.066   7.624  -1.944
   40   HD13  LEU   5          HD13      LEU   5   9.462   9.272  -2.111
   41   HD21  LEU   5          HD21      LEU   5  11.021  10.748  -0.944
   42   HD22  LEU   5          HD22      LEU   5  12.055   9.393  -1.398
   43   HD23  LEU   5          HD23      LEU   5  12.090  10.014   0.253
   44    H    LEU   6           H        LEU   6   7.439   9.972   3.272
   45    HA   LEU   6           HA       LEU   6   8.839  12.042   4.569
   46    HB2  LEU   6           HB2      LEU   6   6.302  11.734   3.982
   47    HB3  LEU   6           HB3      LEU   6   6.223  11.052   5.606
   48    HG   LEU   6           HG       LEU   6   7.594  13.563   5.702
   49   HD11  LEU   6          HD11      LEU   6   5.108  13.475   4.058
   50   HD12  LEU   6          HD12      LEU   6   6.560  14.453   3.853
   51   HD13  LEU   6          HD13      LEU   6   5.400  14.853   5.119
   52   HD21  LEU   6          HD21      LEU   6   4.832  13.003   6.723
   53   HD22  LEU   6          HD22      LEU   6   6.101  13.999   7.436
   54   HD23  LEU   6          HD23      LEU   6   6.248  12.241   7.449
   55    H    ASN   7           H        ASN   7   7.686   8.896   5.699
   56    HA   ASN   7           HA       ASN   7   8.327   9.244   8.419
   57    HB2  ASN   7           HB2      ASN   7   6.912   7.399   7.245
   58    HB3  ASN   7           HB3      ASN   7   8.454   6.566   7.066
   59   HD21  ASN   7          HD21      ASN   7   8.420   4.977   8.495
   60   HD22  ASN   7          HD22      ASN   7   8.057   5.143  10.176
   61    H    GLY   8           H        GLY   8  10.256   8.471   5.639
   62    HA2  GLY   8           HA2      GLY   8  12.521   7.648   7.298
   63    HA3  GLY   8           HA3      GLY   8  12.440   7.575   5.544
   64    H    PHE   9           H        PHE   9  11.335  10.431   5.662
   65    HA   PHE   9           HA       PHE   9  13.916  11.704   5.419
   66    HB2  PHE   9           HB2      PHE   9  11.670  12.034   4.016
   67    HB3  PHE   9           HB3      PHE   9  11.395  13.278   5.232
   68    HD1  PHE   9           HD1      PHE   9  14.232  12.085   3.115
   69    HD2  PHE   9           HD2      PHE   9  12.027  15.392   4.638
   70    HE1  PHE   9           HE1      PHE   9  15.682  13.626   1.859
   71    HE2  PHE   9           HE2      PHE   9  13.473  16.938   3.383
   72    HZ   PHE   9           HZ       PHE   9  15.302  16.055   1.991
   73    H    ASP  10           H        ASP  10  11.340  11.545   7.727
   74    HA   ASP  10           HA       ASP  10  11.642  13.887   9.156
   75    HB2  ASP  10           HB2      ASP  10   9.964  11.991   9.522
   76    HB3  ASP  10           HB3      ASP  10  11.216  11.218  10.490
   77    H    ASP  11           H        ASP  11  13.378  10.819   9.658
   78    HA   ASP  11           HA       ASP  11  15.011  11.678  11.758
   79    HB2  ASP  11           HB2      ASP  11  14.849   9.389   9.998
   80    HB3  ASP  11           HB3      ASP  11  16.529   9.839  10.278
   81    H    VAL  12           H        VAL  12  15.230  12.207   8.329
   82    HA   VAL  12           HA       VAL  12  17.974  13.076   8.373
   83    HB   VAL  12           HB       VAL  12  15.894  13.480   6.220
   84   HG11  VAL  12          HG11      VAL  12  18.893  13.748   6.236
   85   HG12  VAL  12          HG12      VAL  12  17.931  13.654   4.760
   86   HG13  VAL  12          HG13      VAL  12  17.697  14.995   5.882
   87   HG21  VAL  12          HG21      VAL  12  17.440  11.141   7.046
   88   HG22  VAL  12          HG22      VAL  12  16.000  11.249   6.034
   89   HG23  VAL  12          HG23      VAL  12  17.593  11.530   5.333
   90    H    HIS  13           H        HIS  13  14.795  14.620   8.297
   91    HA   HIS  13           HA       HIS  13  15.575  17.258   7.903
   92    HB2  HIS  13           HB2      HIS  13  13.198  15.877   8.690
   93    HB3  HIS  13           HB3      HIS  13  13.422  17.259   9.759
   94    HD1  HIS  13           HD1      HIS  13  12.247  19.252   8.922
   95    HD2  HIS  13           HD2      HIS  13  13.620  16.866   5.810
   96    HE1  HIS  13           HE1      HIS  13  11.527  20.417   6.813
   97    H    PHE  14           H        PHE  14  15.876  15.238  10.698
   98    HA   PHE  14           HA       PHE  14  16.382  17.453  12.498
   99    HB2  PHE  14           HB2      PHE  14  15.240  15.279  13.166
  100    HB3  PHE  14           HB3      PHE  14  16.826  14.523  13.063
  101    HD1  PHE  14           HD2      PHE  14  15.688  17.798  14.435
  102    HD2  PHE  14           HD1      PHE  14  17.572  14.055  15.183
  103    HE1  PHE  14           HE2      PHE  14  16.170  18.505  16.742
  104    HE2  PHE  14           HE1      PHE  14  18.056  14.756  17.491
  105    HZ   PHE  14           HZ       PHE  14  17.356  16.984  18.273
  106    H    LEU  15           H        LEU  15  18.206  14.905  10.869
  107    HA   LEU  15           HA       LEU  15  20.692  15.359  12.080
  108    HB2  LEU  15           HB2      LEU  15  19.651  13.860   9.852
  109    HB3  LEU  15           HB3      LEU  15  21.198  14.594   9.434
  110    HG   LEU  15           HG       LEU  15  21.413  12.285  10.275
  111   HD11  LEU  15          HD11      LEU  15  22.628  14.152  12.281
  112   HD12  LEU  15          HD12      LEU  15  23.144  14.145  10.595
  113   HD13  LEU  15          HD13      LEU  15  23.308  12.687  11.573
  114   HD21  LEU  15          HD21      LEU  15  20.564  13.374  12.949
  115   HD22  LEU  15          HD22      LEU  15  20.913  11.700  12.514
  116   HD23  LEU  15          HD23      LEU  15  19.474  12.496  11.875
  117    H    GLY  16           H        GLY  16  19.094  16.929   9.371
  118    HA2  GLY  16           HA2      GLY  16  21.325  18.360   8.393
  119    HA3  GLY  16           HA3      GLY  16  19.639  18.790   8.141
  120    H    SER  17           H        SER  17  18.899  19.161  10.840
  121    HA   SER  17           HA       SER  17  19.908  21.819  11.231
  122    HB2  SER  17           HB2      SER  17  17.857  20.111  12.610
  123    HB3  SER  17           HB3      SER  17  18.400  21.617  13.349
  124    HG   SER  17           HG       SER  17  16.696  21.236  11.281
  125    H    ASN  18           H        ASN  18  20.445  18.679  12.655
  126    HA   ASN  18           HA       ASN  18  21.834  19.665  14.964
  127    HB2  ASN  18           HB2      ASN  18  20.802  17.177  14.105
  128    HB3  ASN  18           HB3      ASN  18  22.533  16.947  14.338
  129   HD21  ASN  18          HD21      ASN  18  20.251  15.923  15.859
  130   HD22  ASN  18          HD22      ASN  18  20.503  16.439  17.489
  131    H    VAL  19           H        VAL  19  22.761  18.348  11.818
  132    HA   VAL  19           HA       VAL  19  25.548  18.276  12.307
  133    HB   VAL  19           HB       VAL  19  24.142  17.196  10.382
  134   HG11  VAL  19          HG11      VAL  19  25.132  19.541   8.821
  135   HG12  VAL  19          HG12      VAL  19  23.874  18.370   8.417
  136   HG13  VAL  19          HG13      VAL  19  23.561  19.624   9.618
  137   HG21  VAL  19          HG21      VAL  19  26.943  18.062  10.533
  138   HG22  VAL  19          HG22      VAL  19  26.263  16.462  10.235
  139   HG23  VAL  19          HG23      VAL  19  26.388  17.626   8.916
  140    H    MET  20           H        MET  20  23.364  20.824  11.497
  141    HA   MET  20           HA       MET  20  25.467  22.608  10.587
  142    HB2  MET  20           HB2      MET  20  23.434  22.910   9.430
  143    HB3  MET  20           HB3      MET  20  22.488  22.882  10.913
  144    HG2  MET  20           HG2      MET  20  22.731  25.069  11.244
  145    HG3  MET  20           HG3      MET  20  24.449  25.030  10.850
  146    HE1  MET  20           HE1      MET  20  21.462  27.024   9.709
  147    HE2  MET  20           HE2      MET  20  23.066  27.428  10.322
  148    HE3  MET  20           HE3      MET  20  22.637  27.810   8.654
  149    H    GLU  21           H        GLU  21  23.478  22.070  13.432
  150    HA   GLU  21           HA       GLU  21  24.253  24.457  14.784
  151    HB2  GLU  21           HB2      GLU  21  22.205  23.419  15.442
  152    HB3  GLU  21           HB3      GLU  21  23.004  21.881  15.736
  153    HG2  GLU  21           HG2      GLU  21  23.548  22.443  17.815
  154    HG3  GLU  21           HG3      GLU  21  24.127  24.033  17.325
  155    H    GLU  22           H        GLU  22  25.591  21.258  14.490
  156    HA   GLU  22           HA       GLU  22  27.413  21.571  16.706
  157    HB2  GLU  22           HB2      GLU  22  28.312  19.410  16.011
  158    HB3  GLU  22           HB3      GLU  22  26.557  19.353  16.106
  159    HG2  GLU  22           HG2      GLU  22  26.888  18.265  14.138
  160    HG3  GLU  22           HG3      GLU  22  26.719  19.918  13.550
  161    H    GLN  23           H        GLN  23  27.458  22.009  13.240
  162    HA   GLN  23           HA       GLN  23  30.332  22.393  13.169
  163    HB2  GLN  23           HB2      GLN  23  28.483  21.558  11.304
  164    HB3  GLN  23           HB3      GLN  23  28.821  23.208  10.799
  165    HG2  GLN  23           HG2      GLN  23  31.326  22.265  11.254
  166    HG3  GLN  23           HG3      GLN  23  30.502  20.816  10.680
  167   HE21  GLN  23          HE21      GLN  23  29.029  21.318   8.718
  168   HE22  GLN  23          HE22      GLN  23  29.775  22.241   7.462
  169    H    ASP  24           H        ASP  24  27.501  24.277  13.587
  170    HA   ASP  24           HA       ASP  24  28.651  26.764  12.698
  171    HB2  ASP  24           HB2      ASP  24  26.222  26.365  12.573
  172    HB3  ASP  24           HB3      ASP  24  26.156  26.246  14.329
  173    H    LEU  25           H        LEU  25  28.356  25.009  15.697
  174    HA   LEU  25           HA       LEU  25  29.137  27.242  17.344
  175    HB2  LEU  25           HB2      LEU  25  28.888  25.822  19.167
  176    HB3  LEU  25           HB3      LEU  25  27.669  25.266  18.023
  177    HG   LEU  25           HG       LEU  25  29.631  23.588  17.361
  178   HD11  LEU  25          HD11      LEU  25  30.320  23.032  19.979
  179   HD12  LEU  25          HD12      LEU  25  30.490  24.783  19.859
  180   HD13  LEU  25          HD13      LEU  25  31.367  23.734  18.745
  181   HD21  LEU  25          HD21      LEU  25  27.237  23.262  18.347
  182   HD22  LEU  25          HD22      LEU  25  28.108  22.954  19.849
  183   HD23  LEU  25          HD23      LEU  25  28.415  21.952  18.430
  184    H    ARG  26           H        ARG  26  30.707  24.690  15.618
  185    HA   ARG  26           HA       ARG  26  33.222  25.080  17.045
  186    HB2  ARG  26           HB2      ARG  26  34.043  23.186  15.832
  187    HB3  ARG  26           HB3      ARG  26  32.429  22.791  16.409
  188    HG2  ARG  26           HG2      ARG  26  32.226  22.037  14.288
  189    HG3  ARG  26           HG3      ARG  26  31.768  23.718  14.009
  190    HD2  ARG  26           HD2      ARG  26  33.612  24.143  12.801
  191    HD3  ARG  26           HD3      ARG  26  34.651  23.222  13.888
  192    HE   ARG  26           HE       ARG  26  32.964  21.565  12.265
  193   HH11  ARG  26          HH12      ARG  26  35.964  23.329  12.373
  194   HH12  ARG  26          HH11      ARG  26  36.731  22.354  11.164
  195   HH21  ARG  26          HH22      ARG  26  33.964  20.275  10.672
  196   HH22  ARG  26          HH21      ARG  26  35.592  20.618  10.196
  197    H    ASP  27           H        ASP  27  31.728  25.734  13.942
  198    HA   ASP  27           HA       ASP  27  33.921  26.411  12.404
  199    HB2  ASP  27           HB2      ASP  27  31.899  26.400  11.249
  200    HB3  ASP  27           HB3      ASP  27  31.086  27.386  12.461
  201    H    ILE  28           H        ILE  28  32.204  28.362  14.796
  202    HA   ILE  28           HA       ILE  28  33.421  30.821  14.331
  203    HB   ILE  28           HB       ILE  28  32.585  29.713  17.014
  204   HG12  ILE  28          HG12      ILE  28  30.996  31.281  14.970
  205   HG13  ILE  28          HG13      ILE  28  30.780  29.575  15.346
  206   HG21  ILE  28          HG21      ILE  28  33.960  31.708  17.202
  207   HG22  ILE  28          HG22      ILE  28  32.920  32.552  16.055
  208   HG23  ILE  28          HG23      ILE  28  32.287  32.070  17.629
  209   HD11  ILE  28          HD11      ILE  28  30.273  30.306  17.712
  210   HD12  ILE  28          HD12      ILE  28  30.182  31.949  17.076
  211   HD13  ILE  28          HD13      ILE  28  29.074  30.711  16.484
  212    H    GLY  29           H        GLY  29  34.669  27.950  15.824
  213    HA2  GLY  29           HA2      GLY  29  36.928  29.351  17.015
  214    HA3  GLY  29           HA3      GLY  29  36.599  27.627  17.113
  215    H    ILE  30           H        ILE  30  36.180  28.222  13.975
  216    HA   ILE  30           HA       ILE  30  38.939  27.463  13.343
  217    HB   ILE  30           HB       ILE  30  36.827  27.426  11.253
  218   HG12  ILE  30          HG12      ILE  30  35.656  26.519  13.211
  219   HG13  ILE  30          HG13      ILE  30  35.978  25.256  12.028
  220   HG21  ILE  30          HG21      ILE  30  38.011  25.420  10.557
  221   HG22  ILE  30          HG22      ILE  30  39.137  26.758  10.777
  222   HG23  ILE  30          HG23      ILE  30  39.019  25.495  12.002
  223   HD11  ILE  30          HD11      ILE  30  37.754  24.378  13.343
  224   HD12  ILE  30          HD12      ILE  30  37.690  25.753  14.447
  225   HD13  ILE  30          HD13      ILE  30  36.357  24.598  14.397
  226    H    SER  31           H        SER  31  36.504  29.890  12.665
  227    HA   SER  31           HA       SER  31  38.342  31.269  10.842
  228    HB2  SER  31           HB2      SER  31  35.485  30.981  10.953
  229    HB3  SER  31           HB3      SER  31  35.904  32.692  11.041
  230    HG   SER  31           HG       SER  31  36.311  32.594   8.994
  231    H    ASP  32           H        ASP  32  37.820  31.160  14.034
  232    HA   ASP  32           HA       ASP  32  37.383  33.711  14.966
  233    HB2  ASP  32           HB2      ASP  32  38.421  31.278  16.017
  234    HB3  ASP  32           HB3      ASP  32  39.496  32.581  16.518
  235    HA   PRO  33           HA       PRO  33  40.745  36.228  13.689
  236    HB2  PRO  33           HB2      PRO  33  40.921  37.943  15.786
  237    HB3  PRO  33           HB3      PRO  33  39.604  37.997  14.608
  238    HG2  PRO  33           HG2      PRO  33  39.651  36.778  17.342
  239    HG3  PRO  33           HG3      PRO  33  38.382  37.747  16.571
  240    HD2  PRO  33           HD2      PRO  33  38.260  35.047  16.727
  241    HD3  PRO  33           HD3      PRO  33  37.570  35.957  15.368
  242    H    GLN  34           H        GLN  34  40.930  35.215  17.101
  243    HA   GLN  34           HA       GLN  34  43.622  35.645  17.547
  244    HB2  GLN  34           HB2      GLN  34  41.767  33.529  18.630
  245    HB3  GLN  34           HB3      GLN  34  43.419  33.723  19.202
  246    HG2  GLN  34           HG2      GLN  34  42.638  36.221  19.530
  247    HG3  GLN  34           HG3      GLN  34  41.049  35.461  19.608
  248   HE21  GLN  34          HE21      GLN  34  41.503  36.607  21.807
  249   HE22  GLN  34          HE22      GLN  34  42.097  35.565  23.051
  250    H    HIS  35           H        HIS  35  42.086  33.199  15.644
  251    HA   HIS  35           HA       HIS  35  43.977  31.182  15.597
  252    HB2  HIS  35           HB2      HIS  35  41.651  31.689  14.247
  253    HB3  HIS  35           HB3      HIS  35  42.844  31.825  12.959
  254    HD1  HIS  35           HD1      HIS  35  40.854  29.541  12.853
  255    HD2  HIS  35           HD2      HIS  35  44.560  29.250  14.709
  256    HE1  HIS  35           HE1      HIS  35  41.392  27.085  12.899
  257    H    ARG  36           H        ARG  36  44.100  34.352  14.184
  258    HA   ARG  36           HA       ARG  36  46.094  33.941  12.254
  259    HB2  ARG  36           HB2      ARG  36  44.853  36.225  13.595
  260    HB3  ARG  36           HB3      ARG  36  46.535  36.508  13.168
  261    HG2  ARG  36           HG2      ARG  36  45.309  35.302  10.933
  262    HG3  ARG  36           HG3      ARG  36  44.226  36.573  11.505
  263    HD2  ARG  36           HD2      ARG  36  45.666  38.226  10.960
  264    HD3  ARG  36           HD3      ARG  36  47.085  37.277  11.402
  265    HE   ARG  36           HE       ARG  36  45.989  36.178   9.079
  266   HH11  ARG  36          HH12      ARG  36  47.568  39.096  10.133
  267   HH12  ARG  36          HH11      ARG  36  48.265  39.434   8.583
  268   HH21  ARG  36          HH22      ARG  36  46.901  36.612   7.033
  269   HH22  ARG  36          HH21      ARG  36  47.884  38.021   6.821
  270    H    ARG  37           H        ARG  37  46.431  35.231  15.566
  271    HA   ARG  37           HA       ARG  37  49.248  35.233  15.560
  272    HB2  ARG  37           HB2      ARG  37  49.120  35.748  17.858
  273    HB3  ARG  37           HB3      ARG  37  47.681  36.466  17.147
  274    HG2  ARG  37           HG2      ARG  37  46.484  35.413  18.681
  275    HG3  ARG  37           HG3      ARG  37  46.919  33.890  17.902
  276    HD2  ARG  37           HD2      ARG  37  47.648  33.486  20.035
  277    HD3  ARG  37           HD3      ARG  37  49.111  34.163  19.320
  278    HE   ARG  37           HE       ARG  37  47.583  36.237  20.443
  279   HH11  ARG  37          HH12      ARG  37  49.515  33.501  21.392
  280   HH12  ARG  37          HH11      ARG  37  49.984  34.193  22.910
  281   HH21  ARG  37          HH22      ARG  37  48.193  37.159  22.439
  282   HH22  ARG  37          HH21      ARG  37  49.231  36.273  23.504
  283    H    LYS  38           H        LYS  38  46.981  32.700  15.881
  284    HA   LYS  38           HA       LYS  38  48.808  30.923  17.278
  285    HB2  LYS  38           HB2      LYS  38  46.017  30.557  16.188
  286    HB3  LYS  38           HB3      LYS  38  46.940  29.248  16.914
  287    HG2  LYS  38           HG2      LYS  38  47.164  30.905  18.919
  288    HG3  LYS  38           HG3      LYS  38  45.745  31.661  18.190
  289    HD2  LYS  38           HD2      LYS  38  45.404  28.811  18.276
  290    HD3  LYS  38           HD3      LYS  38  45.823  29.417  19.880
  291    HE2  LYS  38           HE2      LYS  38  43.605  29.796  20.022
  292    HE3  LYS  38           HE3      LYS  38  44.009  31.263  19.131
  293    HZ1  LYS  38           HZ1      LYS  38  42.587  30.566  17.598
  294    HZ2  LYS  38           HZ2      LYS  38  42.426  29.044  18.317
  295    HZ3  LYS  38           HZ3      LYS  38  43.676  29.329  17.214
  296    H    LEU  39           H        LEU  39  47.804  31.654  14.045
  297    HA   LEU  39           HA       LEU  39  49.043  29.231  12.983
  298    HB2  LEU  39           HB2      LEU  39  46.822  30.555  12.216
  299    HB3  LEU  39           HB3      LEU  39  48.010  31.288  11.140
  300    HG   LEU  39           HG       LEU  39  48.516  28.603  10.854
  301   HD11  LEU  39          HD11      LEU  39  46.630  27.839  12.050
  302   HD12  LEU  39          HD12      LEU  39  46.220  27.684  10.342
  303   HD13  LEU  39          HD13      LEU  39  45.570  29.024  11.286
  304   HD21  LEU  39          HD21      LEU  39  46.513  29.993   9.121
  305   HD22  LEU  39          HD22      LEU  39  47.836  28.919   8.664
  306   HD23  LEU  39          HD23      LEU  39  48.179  30.566   9.194
  307    H    LEU  40           H        LEU  40  49.756  32.519  13.562
  308    HA   LEU  40           HA       LEU  40  51.738  32.816  11.505
  309    HB2  LEU  40           HB2      LEU  40  50.568  34.448  13.612
  310    HB3  LEU  40           HB3      LEU  40  52.303  34.704  13.437
  311    HG   LEU  40           HG       LEU  40  51.092  36.340  12.140
  312   HD11  LEU  40          HD11      LEU  40  52.531  36.255  10.428
  313   HD12  LEU  40          HD12      LEU  40  51.975  34.664   9.910
  314   HD13  LEU  40          HD13      LEU  40  53.146  34.804  11.221
  315   HD21  LEU  40          HD21      LEU  40  49.050  35.656  11.484
  316   HD22  LEU  40          HD22      LEU  40  49.552  33.975  11.305
  317   HD23  LEU  40          HD23      LEU  40  49.907  35.142  10.031
  318    H    GLN  41           H        GLN  41  51.790  32.224  15.003
  319    HA   GLN  41           HA       GLN  41  54.642  32.069  15.140
  320    HB2  GLN  41           HB2      GLN  41  52.845  32.554  17.010
  321    HB3  GLN  41           HB3      GLN  41  52.885  30.806  17.200
  322    HG2  GLN  41           HG2      GLN  41  54.956  30.807  18.096
  323    HG3  GLN  41           HG3      GLN  41  55.495  32.177  17.126
  324   HE21  GLN  41          HE21      GLN  41  53.528  31.269  19.901
  325   HE22  GLN  41          HE22      GLN  41  53.693  32.770  20.740
  326    H    ALA  42           H        ALA  42  52.116  29.868  14.351
  327    HA   ALA  42           HA       ALA  42  53.732  27.504  14.832
  328    HB1  ALA  42           HB1      ALA  42  51.298  27.490  15.258
  329    HB2  ALA  42           HB2      ALA  42  51.020  27.717  13.531
  330    HB3  ALA  42           HB3      ALA  42  51.803  26.247  14.113
  331    H    ALA  43           H        ALA  43  52.867  29.608  12.206
  332    HA   ALA  43           HA       ALA  43  53.821  27.763  10.176
  333    HB1  ALA  43           HB1      ALA  43  53.122  29.387   8.576
  334    HB2  ALA  43           HB2      ALA  43  51.864  29.277   9.808
  335    HB3  ALA  43           HB3      ALA  43  52.989  30.635   9.816
  336    H    ARG  44           H        ARG  44  55.019  30.369  12.090
  337    HA   ARG  44           HA       ARG  44  57.141  31.197  10.401
  338    HB2  ARG  44           HB2      ARG  44  56.477  31.534  13.296
  339    HB3  ARG  44           HB3      ARG  44  58.096  31.940  12.743
  340    HG2  ARG  44           HG2      ARG  44  56.240  33.117  10.951
  341    HG3  ARG  44           HG3      ARG  44  55.735  33.494  12.600
  342    HD2  ARG  44           HD2      ARG  44  58.604  33.790  11.833
  343    HD3  ARG  44           HD3      ARG  44  57.446  35.028  11.350
  344    HE   ARG  44           HE       ARG  44  58.482  34.572  13.975
  345   HH11  ARG  44          HH12      ARG  44  55.726  35.734  12.193
  346   HH12  ARG  44          HH11      ARG  44  55.172  36.766  13.470
  347   HH21  ARG  44          HH22      ARG  44  57.763  35.927  15.662
  348   HH22  ARG  44          HH21      ARG  44  56.332  36.876  15.442
  349    HN1  NH2  45           HN1      NH2  45  56.800  28.691  12.860
  350    HN2  NH2  45           HN2      NH2  45  58.363  27.977  12.638
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1  10.542   1.931   0.444
    2    H2   ACE   1           H2       ACE   1  11.550   3.166  -0.350
    3    H3   ACE   1           H3       ACE   1  10.748   3.531   1.197
    4    H    SER   2           H        SER   2  10.416   5.220  -0.839
    5    HA   SER   2           HA       SER   2   8.888   6.259  -2.177
    6    HB2  SER   2           HB2      SER   2   8.828   3.912  -3.269
    7    HB3  SER   2           HB3      SER   2   7.312   3.704  -2.394
    8    HG   SER   2           HG       SER   2   6.918   4.535  -4.459
    9    H    LYS   3           H        LYS   3   6.895   3.810  -0.524
   10    HA   LYS   3           HA       LYS   3   4.869   5.673   0.157
   11    HB2  LYS   3           HB2      LYS   3   5.249   2.857   0.295
   12    HB3  LYS   3           HB3      LYS   3   4.780   3.410   1.897
   13    HG2  LYS   3           HG2      LYS   3   3.244   4.307  -0.501
   14    HG3  LYS   3           HG3      LYS   3   2.961   2.709   0.194
   15    HD2  LYS   3           HD2      LYS   3   2.547   3.786   2.387
   16    HD3  LYS   3           HD3      LYS   3   2.723   5.362   1.612
   17    HE2  LYS   3           HE2      LYS   3   0.894   4.232  -0.012
   18    HE3  LYS   3           HE3      LYS   3   0.499   3.425   1.505
   19    HZ1  LYS   3           HZ1      LYS   3  -0.714   5.550   1.077
   20    HZ2  LYS   3           HZ2      LYS   3   0.756   6.368   1.255
   21    HZ3  LYS   3           HZ3      LYS   3   0.113   5.494   2.553
   22    H    LEU   4           H        LEU   4   7.792   4.643   1.711
   23    HA   LEU   4           HA       LEU   4   7.019   5.943   4.219
   24    HB2  LEU   4           HB2      LEU   4   9.279   4.121   3.451
   25    HB3  LEU   4           HB3      LEU   4   9.279   5.015   4.970
   26    HG   LEU   4           HG       LEU   4   6.904   3.824   5.203
   27   HD11  LEU   4          HD11      LEU   4   6.834   1.656   4.276
   28   HD12  LEU   4          HD12      LEU   4   8.501   1.761   3.710
   29   HD13  LEU   4          HD13      LEU   4   7.248   2.738   2.946
   30   HD21  LEU   4          HD21      LEU   4   9.582   2.571   5.799
   31   HD22  LEU   4          HD22      LEU   4   8.048   2.074   6.514
   32   HD23  LEU   4          HD23      LEU   4   8.687   3.688   6.830
   33    H    LEU   5           H        LEU   5   7.398   7.618   1.996
   34    HA   LEU   5           HA       LEU   5  10.039   8.748   2.076
   35    HB2  LEU   5           HB2      LEU   5   7.708   8.973   0.442
   36    HB3  LEU   5           HB3      LEU   5   8.206  10.584   0.951
   37    HG   LEU   5           HG       LEU   5   9.132   9.925  -1.239
   38   HD11  LEU   5          HD11      LEU   5  10.329  11.326   0.692
   39   HD12  LEU   5          HD12      LEU   5  11.074  11.029  -0.878
   40   HD13  LEU   5          HD13      LEU   5  11.515  10.033   0.508
   41   HD21  LEU   5          HD21      LEU   5  10.258   8.022  -1.611
   42   HD22  LEU   5          HD22      LEU   5   9.479   7.463  -0.130
   43   HD23  LEU   5          HD23      LEU   5  11.119   8.112  -0.074
   44    H    LEU   6           H        LEU   6   6.946   9.397   3.576
   45    HA   LEU   6           HA       LEU   6   7.643  11.976   4.586
   46    HB2  LEU   6           HB2      LEU   6   5.444  10.020   5.132
   47    HB3  LEU   6           HB3      LEU   6   5.654  11.438   6.157
   48    HG   LEU   6           HG       LEU   6   5.369  11.723   3.186
   49   HD11  LEU   6          HD11      LEU   6   2.921  12.141   3.686
   50   HD12  LEU   6          HD12      LEU   6   3.192  11.305   5.214
   51   HD13  LEU   6          HD13      LEU   6   3.449  10.458   3.689
   52   HD21  LEU   6          HD21      LEU   6   5.756  13.480   5.354
   53   HD22  LEU   6          HD22      LEU   6   4.102  13.719   4.792
   54   HD23  LEU   6          HD23      LEU   6   5.450  13.887   3.666
   55    H    ASN   7           H        ASN   7   7.540   8.713   5.979
   56    HA   ASN   7           HA       ASN   7   8.227   9.350   8.597
   57    HB2  ASN   7           HB2      ASN   7   8.495   6.918   6.892
   58    HB3  ASN   7           HB3      ASN   7   9.371   6.954   8.419
   59   HD21  ASN   7          HD21      ASN   7   7.135   5.285   7.571
   60   HD22  ASN   7          HD22      ASN   7   5.880   5.546   8.729
   61    H    GLY   8           H        GLY   8  10.182   9.238   5.728
   62    HA2  GLY   8           HA2      GLY   8  12.672   9.314   7.241
   63    HA3  GLY   8           HA3      GLY   8  12.517   9.270   5.491
   64    H    PHE   9           H        PHE   9  10.638  11.471   5.353
   65    HA   PHE   9           HA       PHE   9  12.508  13.609   5.231
   66    HB2  PHE   9           HB2      PHE   9  10.569  13.354   3.685
   67    HB3  PHE   9           HB3      PHE   9   9.494  13.748   5.023
   68    HD1  PHE   9           HD1      PHE   9  12.589  15.155   3.477
   69    HD2  PHE   9           HD2      PHE   9   8.705  15.893   5.054
   70    HE1  PHE   9           HE1      PHE   9  12.839  17.549   2.964
   71    HE2  PHE   9           HE2      PHE   9   8.949  18.287   4.543
   72    HZ   PHE   9           HZ       PHE   9  11.017  19.118   3.496
   73    H    ASP  10           H        ASP  10  10.545  12.384   7.716
   74    HA   ASP  10           HA       ASP  10  10.230  14.860   9.157
   75    HB2  ASP  10           HB2      ASP  10   9.090  12.284   9.284
   76    HB3  ASP  10           HB3      ASP  10   9.914  12.531  10.822
   77    H    ASP  11           H        ASP  11  12.576  12.329   8.959
   78    HA   ASP  11           HA       ASP  11  13.876  13.097  11.445
   79    HB2  ASP  11           HB2      ASP  11  14.010  10.825   9.598
   80    HB3  ASP  11           HB3      ASP  11  15.586  11.345  10.189
   81    H    VAL  12           H        VAL  12  14.288  13.463   7.986
   82    HA   VAL  12           HA       VAL  12  16.940  14.516   8.114
   83    HB   VAL  12           HB       VAL  12  15.887  13.466   6.075
   84   HG11  VAL  12          HG11      VAL  12  14.462  14.758   4.668
   85   HG12  VAL  12          HG12      VAL  12  13.750  14.764   6.282
   86   HG13  VAL  12          HG13      VAL  12  14.630  16.178   5.701
   87   HG21  VAL  12          HG21      VAL  12  16.815  15.456   4.572
   88   HG22  VAL  12          HG22      VAL  12  17.428  15.999   6.134
   89   HG23  VAL  12          HG23      VAL  12  17.879  14.411   5.513
   90    H    HIS  13           H        HIS  13  13.739  15.856   8.373
   91    HA   HIS  13           HA       HIS  13  14.393  18.561   7.854
   92    HB2  HIS  13           HB2      HIS  13  12.066  17.167   8.300
   93    HB3  HIS  13           HB3      HIS  13  12.214  18.127   9.769
   94    HD1  HIS  13           HD1      HIS  13  11.405  20.471   9.625
   95    HD2  HIS  13           HD2      HIS  13  12.144  18.840   5.875
   96    HE1  HIS  13           HE1      HIS  13  10.613  22.195   7.974
   97    H    PHE  14           H        PHE  14  14.817  16.514  10.601
   98    HA   PHE  14           HA       PHE  14  15.271  18.760  12.402
   99    HB2  PHE  14           HB2      PHE  14  14.042  16.703  13.151
  100    HB3  PHE  14           HB3      PHE  14  15.547  15.806  12.980
  101    HD1  PHE  14           HD1      PHE  14  13.767  18.355  14.915
  102    HD2  PHE  14           HD2      PHE  14  17.335  16.061  14.563
  103    HE1  PHE  14           HE1      PHE  14  14.401  18.997  17.204
  104    HE2  PHE  14           HE2      PHE  14  17.974  16.698  16.851
  105    HZ   PHE  14           HZ       PHE  14  16.507  18.167  18.175
  106    H    LEU  15           H        LEU  15  17.038  16.298  10.655
  107    HA   LEU  15           HA       LEU  15  19.508  16.461  11.937
  108    HB2  LEU  15           HB2      LEU  15  18.559  15.636   9.260
  109    HB3  LEU  15           HB3      LEU  15  20.279  15.988   9.415
  110    HG   LEU  15           HG       LEU  15  18.754  13.948  11.033
  111   HD11  LEU  15          HD11      LEU  15  19.636  13.782   8.404
  112   HD12  LEU  15          HD12      LEU  15  19.198  12.442   9.463
  113   HD13  LEU  15          HD13      LEU  15  20.880  12.961   9.347
  114   HD21  LEU  15          HD21      LEU  15  21.526  15.011  11.139
  115   HD22  LEU  15          HD22      LEU  15  21.287  13.285  11.413
  116   HD23  LEU  15          HD23      LEU  15  20.472  14.463  12.442
  117    H    GLY  16           H        GLY  16  18.043  18.538   9.514
  118    HA2  GLY  16           HA2      GLY  16  20.239  19.983   8.643
  119    HA3  GLY  16           HA3      GLY  16  18.616  20.641   8.790
  120    H    SER  17           H        SER  17  18.025  21.078  11.217
  121    HA   SER  17           HA       SER  17  19.542  23.220  12.089
  122    HB2  SER  17           HB2      SER  17  17.393  21.550  13.257
  123    HB3  SER  17           HB3      SER  17  18.361  22.471  14.407
  124    HG   SER  17           HG       SER  17  17.210  23.638  12.100
  125    H    ASN  18           H        ASN  18  19.905  19.819  12.774
  126    HA   ASN  18           HA       ASN  18  21.659  20.102  14.997
  127    HB2  ASN  18           HB2      ASN  18  20.325  17.999  13.803
  128    HB3  ASN  18           HB3      ASN  18  22.010  17.664  13.418
  129   HD21  ASN  18          HD21      ASN  18  19.705  16.928  15.519
  130   HD22  ASN  18          HD22      ASN  18  20.640  16.650  16.946
  131    H    VAL  19           H        VAL  19  22.230  19.326  11.567
  132    HA   VAL  19           HA       VAL  19  25.006  19.177  11.657
  133    HB   VAL  19           HB       VAL  19  23.397  20.254   9.340
  134   HG11  VAL  19          HG11      VAL  19  25.624  20.571   8.786
  135   HG12  VAL  19          HG12      VAL  19  26.149  19.120   9.641
  136   HG13  VAL  19          HG13      VAL  19  25.288  18.979   8.108
  137   HG21  VAL  19          HG21      VAL  19  23.341  17.663  10.585
  138   HG22  VAL  19          HG22      VAL  19  22.381  18.278   9.240
  139   HG23  VAL  19          HG23      VAL  19  23.954  17.541   8.936
  140    H    MET  20           H        MET  20  22.911  21.939  11.730
  141    HA   MET  20           HA       MET  20  25.013  23.821  11.085
  142    HB2  MET  20           HB2      MET  20  22.713  24.289  10.392
  143    HB3  MET  20           HB3      MET  20  22.190  24.269  12.071
  144    HG2  MET  20           HG2      MET  20  23.885  26.164  12.410
  145    HG3  MET  20           HG3      MET  20  23.874  26.294  10.653
  146    HE1  MET  20           HE1      MET  20  22.535  27.107  13.865
  147    HE2  MET  20           HE2      MET  20  21.042  28.011  13.611
  148    HE3  MET  20           HE3      MET  20  21.000  26.251  13.718
  149    H    GLU  21           H        GLU  21  23.282  22.693  13.943
  150    HA   GLU  21           HA       GLU  21  24.438  24.576  15.736
  151    HB2  GLU  21           HB2      GLU  21  22.381  23.544  16.373
  152    HB3  GLU  21           HB3      GLU  21  23.052  21.932  16.166
  153    HG2  GLU  21           HG2      GLU  21  23.905  21.898  18.221
  154    HG3  GLU  21           HG3      GLU  21  24.522  23.544  18.092
  155    H    GLU  22           H        GLU  22  25.440  21.509  14.453
  156    HA   GLU  22           HA       GLU  22  27.486  21.073  16.437
  157    HB2  GLU  22           HB2      GLU  22  28.064  19.118  15.183
  158    HB3  GLU  22           HB3      GLU  22  26.310  19.219  15.235
  159    HG2  GLU  22           HG2      GLU  22  26.247  20.068  12.981
  160    HG3  GLU  22           HG3      GLU  22  28.008  20.117  12.919
  161    H    GLN  23           H        GLN  23  27.255  22.449  13.227
  162    HA   GLN  23           HA       GLN  23  30.128  22.687  12.948
  163    HB2  GLN  23           HB2      GLN  23  27.983  22.603  11.165
  164    HB3  GLN  23           HB3      GLN  23  28.574  24.257  11.067
  165    HG2  GLN  23           HG2      GLN  23  30.880  23.271  10.743
  166    HG3  GLN  23           HG3      GLN  23  30.076  21.717  10.525
  167   HE21  GLN  23          HE21      GLN  23  28.128  21.928   8.944
  168   HE22  GLN  23          HE22      GLN  23  28.488  22.733   7.459
  169    H    ASP  24           H        ASP  24  27.431  24.632  13.959
  170    HA   ASP  24           HA       ASP  24  28.752  27.156  13.752
  171    HB2  ASP  24           HB2      ASP  24  26.268  26.866  13.786
  172    HB3  ASP  24           HB3      ASP  24  26.385  26.423  15.487
  173    H    LEU  25           H        LEU  25  28.590  24.646  16.153
  174    HA   LEU  25           HA       LEU  25  29.586  26.257  18.310
  175    HB2  LEU  25           HB2      LEU  25  28.546  23.623  17.965
  176    HB3  LEU  25           HB3      LEU  25  30.097  23.516  18.794
  177    HG   LEU  25           HG       LEU  25  29.300  24.923  20.577
  178   HD11  LEU  25          HD11      LEU  25  27.796  26.485  20.085
  179   HD12  LEU  25          HD12      LEU  25  26.576  25.217  20.183
  180   HD13  LEU  25          HD13      LEU  25  27.285  25.639  18.625
  181   HD21  LEU  25          HD21      LEU  25  27.106  23.500  21.095
  182   HD22  LEU  25          HD22      LEU  25  28.730  22.824  21.219
  183   HD23  LEU  25          HD23      LEU  25  27.758  22.526  19.777
  184    H    ARG  26           H        ARG  26  30.970  24.535  15.681
  185    HA   ARG  26           HA       ARG  26  33.623  24.551  16.928
  186    HB2  ARG  26           HB2      ARG  26  34.309  22.989  15.309
  187    HB3  ARG  26           HB3      ARG  26  32.679  22.492  15.742
  188    HG2  ARG  26           HG2      ARG  26  31.787  23.446  13.734
  189    HG3  ARG  26           HG3      ARG  26  33.348  24.163  13.330
  190    HD2  ARG  26           HD2      ARG  26  34.322  21.952  13.078
  191    HD3  ARG  26           HD3      ARG  26  32.799  21.206  13.559
  192    HE   ARG  26           HE       ARG  26  31.974  21.589  11.449
  193   HH11  ARG  26          HH12      ARG  26  34.930  23.373  11.890
  194   HH12  ARG  26          HH11      ARG  26  35.063  23.819  10.221
  195   HH21  ARG  26          HH22      ARG  26  32.137  22.169   9.249
  196   HH22  ARG  26          HH21      ARG  26  33.473  23.135   8.720
  197    H    ASP  27           H        ASP  27  31.736  26.018  14.399
  198    HA   ASP  27           HA       ASP  27  33.670  27.096  12.753
  199    HB2  ASP  27           HB2      ASP  27  31.485  27.444  12.029
  200    HB3  ASP  27           HB3      ASP  27  30.954  28.043  13.598
  201    H    ILE  28           H        ILE  28  32.490  28.312  15.856
  202    HA   ILE  28           HA       ILE  28  33.789  30.774  15.890
  203    HB   ILE  28           HB       ILE  28  33.324  28.984  18.277
  204   HG12  ILE  28          HG12      ILE  28  31.252  29.257  17.028
  205   HG13  ILE  28          HG13      ILE  28  31.182  30.208  18.508
  206   HG21  ILE  28          HG21      ILE  28  34.043  31.851  17.928
  207   HG22  ILE  28          HG22      ILE  28  33.003  31.396  19.277
  208   HG23  ILE  28          HG23      ILE  28  34.608  30.682  19.121
  209   HD11  ILE  28          HD11      ILE  28  30.253  31.510  16.757
  210   HD12  ILE  28          HD12      ILE  28  31.827  32.202  17.150
  211   HD13  ILE  28          HD13      ILE  28  31.638  31.202  15.710
  212    H    GLY  29           H        GLY  29  35.054  27.574  16.269
  213    HA2  GLY  29           HA2      GLY  29  37.562  28.530  17.411
  214    HA3  GLY  29           HA3      GLY  29  37.129  26.855  17.103
  215    H    ILE  30           H        ILE  30  36.275  28.337  14.359
  216    HA   ILE  30           HA       ILE  30  38.843  27.704  13.090
  217    HB   ILE  30           HB       ILE  30  36.447  28.264  11.433
  218   HG12  ILE  30          HG12      ILE  30  35.509  26.927  13.272
  219   HG13  ILE  30          HG13      ILE  30  35.550  26.008  11.771
  220   HG21  ILE  30          HG21      ILE  30  37.432  26.119  10.345
  221   HG22  ILE  30          HG22      ILE  30  38.279  27.655  10.166
  222   HG23  ILE  30          HG23      ILE  30  38.837  26.473  11.350
  223   HD11  ILE  30          HD11      ILE  30  36.228  24.758  13.830
  224   HD12  ILE  30          HD12      ILE  30  37.397  24.727  12.509
  225   HD13  ILE  30          HD13      ILE  30  37.660  25.784  13.895
  226    H    SER  31           H        SER  31  36.499  30.266  13.521
  227    HA   SER  31           HA       SER  31  38.086  32.052  11.818
  228    HB2  SER  31           HB2      SER  31  35.277  31.799  12.370
  229    HB3  SER  31           HB3      SER  31  35.818  33.413  12.828
  230    HG   SER  31           HG       SER  31  35.237  32.648  10.442
  231    H    ASP  32           H        ASP  32  38.100  31.094  14.914
  232    HA   ASP  32           HA       ASP  32  38.008  33.314  16.539
  233    HB2  ASP  32           HB2      ASP  32  39.018  30.659  16.722
  234    HB3  ASP  32           HB3      ASP  32  40.255  31.748  17.346
  235    HA   PRO  33           HA       PRO  33  41.297  35.981  15.379
  236    HB2  PRO  33           HB2      PRO  33  41.934  37.073  17.782
  237    HB3  PRO  33           HB3      PRO  33  40.452  37.476  16.906
  238    HG2  PRO  33           HG2      PRO  33  40.848  35.575  19.184
  239    HG3  PRO  33           HG3      PRO  33  39.547  36.750  18.921
  240    HD2  PRO  33           HD2      PRO  33  39.252  34.110  18.398
  241    HD3  PRO  33           HD3      PRO  33  38.422  35.368  17.460
  242    H    GLN  34           H        GLN  34  41.955  34.101  18.335
  243    HA   GLN  34           HA       GLN  34  44.707  34.317  18.398
  244    HB2  GLN  34           HB2      GLN  34  42.891  32.053  19.213
  245    HB3  GLN  34           HB3      GLN  34  44.625  32.022  19.506
  246    HG2  GLN  34           HG2      GLN  34  44.495  33.925  20.932
  247    HG3  GLN  34           HG3      GLN  34  42.810  34.204  20.496
  248   HE21  GLN  34          HE21      GLN  34  41.233  32.669  21.202
  249   HE22  GLN  34          HE22      GLN  34  41.510  31.731  22.626
  250    H    HIS  35           H        HIS  35  42.704  32.474  16.252
  251    HA   HIS  35           HA       HIS  35  44.392  30.493  15.353
  252    HB2  HIS  35           HB2      HIS  35  41.946  31.442  14.584
  253    HB3  HIS  35           HB3      HIS  35  42.942  31.881  13.200
  254    HD1  HIS  35           HD1      HIS  35  40.780  29.795  12.815
  255    HD2  HIS  35           HD2      HIS  35  44.680  28.858  13.898
  256    HE1  HIS  35           HE1      HIS  35  41.115  27.402  12.117
  257    H    ARG  36           H        ARG  36  44.217  33.860  14.225
  258    HA   ARG  36           HA       ARG  36  46.207  33.663  12.257
  259    HB2  ARG  36           HB2      ARG  36  45.152  35.979  13.865
  260    HB3  ARG  36           HB3      ARG  36  46.417  36.188  12.662
  261    HG2  ARG  36           HG2      ARG  36  43.785  34.907  12.004
  262    HG3  ARG  36           HG3      ARG  36  44.033  36.653  11.933
  263    HD2  ARG  36           HD2      ARG  36  45.953  34.849  10.535
  264    HD3  ARG  36           HD3      ARG  36  44.378  35.156   9.805
  265    HE   ARG  36           HE       ARG  36  45.291  37.637  10.385
  266   HH11  ARG  36          HH12      ARG  36  46.634  34.927   8.662
  267   HH12  ARG  36          HH11      ARG  36  47.578  35.909   7.591
  268   HH21  ARG  36          HH22      ARG  36  46.529  38.941   8.981
  269   HH22  ARG  36          HH21      ARG  36  47.518  38.192   7.774
  270    H    ARG  37           H        ARG  37  46.387  34.084  15.715
  271    HA   ARG  37           HA       ARG  37  49.156  34.855  15.732
  272    HB2  ARG  37           HB2      ARG  37  47.021  34.482  17.697
  273    HB3  ARG  37           HB3      ARG  37  48.593  33.946  18.273
  274    HG2  ARG  37           HG2      ARG  37  49.214  36.352  17.167
  275    HG3  ARG  37           HG3      ARG  37  47.587  36.647  17.783
  276    HD2  ARG  37           HD2      ARG  37  48.326  35.733  19.979
  277    HD3  ARG  37           HD3      ARG  37  49.964  35.634  19.334
  278    HE   ARG  37           HE       ARG  37  48.579  38.002  20.202
  279   HH11  ARG  37          HH12      ARG  37  51.146  36.738  18.219
  280   HH12  ARG  37          HH11      ARG  37  52.045  38.219  18.210
  281   HH21  ARG  37          HH22      ARG  37  49.753  39.958  20.198
  282   HH22  ARG  37          HH21      ARG  37  51.252  40.050  19.337
  283    H    LYS  38           H        LYS  38  47.335  31.879  16.026
  284    HA   LYS  38           HA       LYS  38  49.633  30.321  16.822
  285    HB2  LYS  38           HB2      LYS  38  46.761  29.726  16.220
  286    HB3  LYS  38           HB3      LYS  38  47.926  28.409  16.243
  287    HG2  LYS  38           HG2      LYS  38  48.581  29.187  18.550
  288    HG3  LYS  38           HG3      LYS  38  47.172  30.248  18.496
  289    HD2  LYS  38           HD2      LYS  38  46.837  27.349  17.871
  290    HD3  LYS  38           HD3      LYS  38  47.007  27.851  19.554
  291    HE2  LYS  38           HE2      LYS  38  45.010  28.963  19.566
  292    HE3  LYS  38           HE3      LYS  38  45.079  29.330  17.843
  293    HZ1  LYS  38           HZ1      LYS  38  43.356  27.720  18.310
  294    HZ2  LYS  38           HZ2      LYS  38  44.474  26.677  19.033
  295    HZ3  LYS  38           HZ3      LYS  38  44.572  27.005  17.377
  296    H    LEU  39           H        LEU  39  48.142  31.316  13.883
  297    HA   LEU  39           HA       LEU  39  49.430  29.241  12.302
  298    HB2  LEU  39           HB2      LEU  39  47.101  30.566  11.977
  299    HB3  LEU  39           HB3      LEU  39  48.161  31.539  10.958
  300    HG   LEU  39           HG       LEU  39  46.964  29.843   9.668
  301   HD11  LEU  39          HD11      LEU  39  48.811  29.035   8.427
  302   HD12  LEU  39          HD12      LEU  39  49.875  29.103   9.831
  303   HD13  LEU  39          HD13      LEU  39  49.297  30.596   9.091
  304   HD21  LEU  39          HD21      LEU  39  46.817  28.198  11.555
  305   HD22  LEU  39          HD22      LEU  39  48.503  27.787  11.242
  306   HD23  LEU  39          HD23      LEU  39  47.282  27.508  10.000
  307    H    LEU  40           H        LEU  40  49.995  32.475  13.331
  308    HA   LEU  40           HA       LEU  40  51.866  33.120  11.235
  309    HB2  LEU  40           HB2      LEU  40  50.503  34.825  12.408
  310    HB3  LEU  40           HB3      LEU  40  51.408  34.489  13.882
  311    HG   LEU  40           HG       LEU  40  53.431  35.099  12.198
  312   HD11  LEU  40          HD11      LEU  40  51.396  37.137  11.431
  313   HD12  LEU  40          HD12      LEU  40  51.510  35.638  10.510
  314   HD13  LEU  40          HD13      LEU  40  52.910  36.702  10.639
  315   HD21  LEU  40          HD21      LEU  40  52.702  37.569  13.174
  316   HD22  LEU  40          HD22      LEU  40  53.659  36.357  14.026
  317   HD23  LEU  40          HD23      LEU  40  51.916  36.446  14.283
  318    H    GLN  41           H        GLN  41  51.980  31.797  14.466
  319    HA   GLN  41           HA       GLN  41  54.837  32.057  14.717
  320    HB2  GLN  41           HB2      GLN  41  53.138  32.011  16.630
  321    HB3  GLN  41           HB3      GLN  41  53.064  30.273  16.375
  322    HG2  GLN  41           HG2      GLN  41  54.991  29.926  17.429
  323    HG3  GLN  41           HG3      GLN  41  55.786  31.265  16.603
  324   HE21  GLN  41          HE21      GLN  41  54.972  33.473  17.378
  325   HE22  GLN  41          HE22      GLN  41  54.849  33.667  19.090
  326    H    ALA  42           H        ALA  42  52.616  29.735  13.449
  327    HA   ALA  42           HA       ALA  42  54.609  27.608  13.413
  328    HB1  ALA  42           HB1      ALA  42  52.474  26.801  13.948
  329    HB2  ALA  42           HB2      ALA  42  51.704  27.730  12.662
  330    HB3  ALA  42           HB3      ALA  42  52.717  26.343  12.262
  331    H    ALA  43           H        ALA  43  53.064  29.892  11.259
  332    HA   ALA  43           HA       ALA  43  54.031  28.683   8.845
  333    HB1  ALA  43           HB1      ALA  43  52.804  31.367   9.435
  334    HB2  ALA  43           HB2      ALA  43  53.309  30.869   7.820
  335    HB3  ALA  43           HB3      ALA  43  52.049  29.970   8.666
  336    H    ARG  44           H        ARG  44  55.321  30.839  11.197
  337    HA   ARG  44           HA       ARG  44  57.216  32.185   9.581
  338    HB2  ARG  44           HB2      ARG  44  56.378  32.456  12.149
  339    HB3  ARG  44           HB3      ARG  44  57.937  31.681  12.399
  340    HG2  ARG  44           HG2      ARG  44  59.032  33.447  11.129
  341    HG3  ARG  44           HG3      ARG  44  57.470  34.218  10.846
  342    HD2  ARG  44           HD2      ARG  44  58.055  35.416  12.670
  343    HD3  ARG  44           HD3      ARG  44  57.398  34.019  13.521
  344    HE   ARG  44           HE       ARG  44  60.182  33.736  12.934
  345   HH11  ARG  44          HH12      ARG  44  57.891  35.149  15.143
  346   HH12  ARG  44          HH11      ARG  44  59.003  35.195  16.471
  347   HH21  ARG  44          HH22      ARG  44  61.655  33.793  14.675
  348   HH22  ARG  44          HH21      ARG  44  61.144  34.425  16.203
  349    HN1  NH2  45           HN1      NH2  45  57.262  29.133  11.361
  350    HN2  NH2  45           HN2      NH2  45  58.805  28.592  10.790