*HEADER    TOXIN                                   26-NOV-01   1KG1              
*TITLE     NMR STRUCTURE OF THE NIP1 ELICITOR PROTEIN FROM                       
*TITLE    2 RHYNCHOSPORIUM SECALIS                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NECROSIS INDUCING PROTEIN 1;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NIP1;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RHYNCHOSPORIUM SECALIS;                         
*SOURCE   3 ORGANISM_COMMON: LEAF BLOTCH OF BARLEY;                              
*SOURCE   4 GENE: NIP1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: AD494;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PQE30                                     
*KEYWDS    ANTIPARALEL BETA SHEETS                                               
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    K.A.VAN 'T SLOT, H.A.VAN DEN BURG, C.P.KLOKS, C.W.HILBERS,            
*AUTHOR   2 W.KNOGGE, C.H.PAPAVOINE                                              
*REVDAT   1   11-NOV-03 1KG1    0                                                

QCONVR conversion hb distance restraints from restraints.rst
count 28 type diana
HBUPLO  THR    6 N     ALA   18 O          3.000      2.700
HBUPLO  THR    6 HN    ALA   18 O          2.000      1.800
HBUPLO  THR    6 O     ALA   18 N          3.000      2.700
HBUPLO  THR    6 O     ALA   18 HN         2.000      1.800
HBUPLO  CYS    8 N     VAL   16 O          3.000      2.700
HBUPLO  CYS    8 HN    VAL   16 O          2.000      1.800
HBUPLO  CYS    8 O     VAL   16 N          3.000      2.700
HBUPLO  CYS    8 O     VAL   16 HN         2.000      1.800
HBUPLO  CYS    9 N     LEU   27 O          3.000      2.700
HBUPLO  CYS    9 HN    LEU   27 O          2.000      1.800
HBUPLO  GLY   30 O     LEU   41 N          3.000      2.700
HBUPLO  GLY   30 O     LEU   41 HN         2.000      1.800
HBUPLO  ASP-  31 O     CYS   60 N          3.000      2.700
HBUPLO  ASP-  31 O     CYS   60 HN         2.000      1.800
HBUPLO  CYS   32 N     LEU   39 O          3.000      2.700
HBUPLO  CYS   32 HN    LEU   39 O          2.000      1.800
HBUPLO  CYS   32 O     LEU   39 N          3.000      2.700
HBUPLO  CYS   32 O     LEU   39 HN         2.000      1.800
HBUPLO  CYS   33 N     ARG   58 O          3.000      2.700
HBUPLO  CYS   33 HN    ARG   58 O          2.000      1.800
HBUPLO  CYS   33 O     ARG   58 N          3.000      2.700
HBUPLO  CYS   33 O     ARG   58 HN         2.000      1.800
HBUPLO  ARG   34 N     SER   37 O          3.000      2.700
HBUPLO  ARG   34 HN    SER   37 O          2.000      1.800
HBUPLO  ARG   34 O     SER   37 N          3.000      2.700
HBUPLO  ARG   34 O     SER   37 HN         2.000      1.800
HBUPLO  PRO   54 O     TYR   57 N          3.000      2.700
HBUPLO  PRO   54 O     TYR   57 HN         2.000      1.800
QCONVR conversion ss distance restraints from restraints.rst
count 15 type diana
SSUPLO  CYS    3 CB    CYS   19 SG         3.100      3.000
SSUPLO  CYS    3 SG    CYS   19 CB         3.100      3.000
SSUPLO  CYS    3 SG    CYS   19 SG         2.100      2.000
SSUPLO  CYS    8 CB    CYS   26 SG         3.100      3.000
SSUPLO  CYS    8 SG    CYS   26 CB         3.100      3.000
SSUPLO  CYS    8 SG    CYS   26 SG         2.100      2.000
SSUPLO  CYS    9 CB    CYS   42 SG         3.100      3.000
SSUPLO  CYS    9 SG    CYS   42 CB         3.100      3.000
SSUPLO  CYS    9 SG    CYS   42 SG         2.100      2.000
SSUPLO  CYS   32 CB    CYS   53 SG         3.100      3.000
SSUPLO  CYS   32 SG    CYS   53 CB         3.100      3.000
SSUPLO  CYS   32 SG    CYS   53 SG         2.100      2.000
SSUPLO  CYS   33 CB    CYS   60 SG         3.100      3.000
SSUPLO  CYS   33 SG    CYS   60 CB         3.100      3.000
SSUPLO  CYS   33 SG    CYS   60 SG         2.100      2.000
QCONVR conversion noe distance restraints from restraints.rst
count 1031 type diana
NOEUPP  ASP-   1 HB2   ARG    2 HN         3.020
NOEUPP  ASP-   1 HB3   ARG    2 HN         3.020
NOEUPP  ARG    2 HN    ARG    2 QG         6.380
NOEUPP  ARG    2 HN    ARG    2 QD         6.380
NOEUPP  ARG    2 HN    CYS    3 HN         5.130
NOEUPP  ARG    2 HA    ARG    2 QD         6.380
NOEUPP  ARG    2 HA    ARG    2 HE         5.500
NOEUPP  ARG    2 HA    CYS    3 HN         2.400
NOEUPP  ARG    2 HB2   ARG    2 HE         5.500
NOEUPP  ARG    2 HB2   CYS    3 HN         3.360
NOEUPP  ARG    2 HB3   ARG    2 HE         5.500
NOEUPP  ARG    2 HB3   CYS    3 HN         3.360
NOEUPP  ARG    2 QG    CYS    3 HN         6.350
NOEUPP  CYS    3 HN    ARG    4 HN         4.850
NOEUPP  CYS    3 HA    ARG    4 HN         2.400
NOEUPP  CYS    3 HA    HIS   21 HA         3.480
NOEUPP  CYS    3 HB2   LEU   20 HN         5.500
NOEUPP  CYS    3 HB3   LEU   20 HN         5.500
NOEUPP  CYS    3 QB    ARG    4 HN         4.180
NOEUPP  ARG    4 HN    ARG    4 HG2        5.500
NOEUPP  ARG    4 HN    ARG    4 HG3        5.500
NOEUPP  ARG    4 HN    ARG    4 QD         5.940
NOEUPP  ARG    4 HN    ARG    4 HE         5.500
NOEUPP  ARG    4 HN    TYR    5 HN         4.040
NOEUPP  ARG    4 HN    LEU   20 HN         4.110
NOEUPP  ARG    4 HN    HIS   21 HA         3.550
NOEUPP  ARG    4 HA    ARG    4 QD         6.380
NOEUPP  ARG    4 HA    ARG    4 HE         5.500
NOEUPP  ARG    4 HA    TYR    5 HN         2.860
NOEUPP  ARG    4 QB    ARG    4 HE         6.380
NOEUPP  ARG    4 QG    ARG    4 HE         3.860
NOEUPP  ARG    4 QG    TYR    5 HN         6.380
NOEUPP  TYR    5 HN    TYR    5 QE         7.630
NOEUPP  TYR    5 HN    THR    6 HN         5.370
NOEUPP  TYR    5 HA    THR    6 HN         2.520
NOEUPP  TYR    5 HA    CYS   19 HA         2.900
NOEUPP  TYR    5 HA    LEU   20 HN         3.300
NOEUPP  TYR    5 QD    CYS   19 HB2        7.640
NOEUPP  TYR    5 QE    THR    6 HN         7.630
NOEUPP  TYR    5 QE    CYS   19 HA         7.630
NOEUPP  THR    6 HN    THR    6 HB         3.330
NOEUPP  THR    6 HN    LEU    7 HN         4.720
NOEUPP  THR    6 HN    ALA   18 HN         4.370
NOEUPP  THR    6 HN    CYS   19 HA         3.790
NOEUPP  THR    6 HN    LEU   20 HN         3.980
NOEUPP  THR    6 HN    LEU   20 QQD        8.100
NOEUPP  THR    6 HA    THR    6 HB         3.050
NOEUPP  THR    6 HA    LEU    7 HN         2.400
NOEUPP  THR    6 HB    LEU    7 HN         3.390
NOEUPP  THR    6 HB    LEU   20 QQD        8.100
NOEUPP  THR    6 QG2   LEU    7 HN         6.530
NOEUPP  THR    6 QG2   LEU   20 QQD        9.030
NOEUPP  LEU    7 HN    LEU    7 HG         5.500
NOEUPP  LEU    7 HN    LEU    7 QD1        6.530
NOEUPP  LEU    7 HN    LEU    7 QD2        6.530
NOEUPP  LEU    7 HN    LEU    7 QQD        6.040
NOEUPP  LEU    7 HN    CYS    8 HN         4.690
NOEUPP  LEU    7 HA    LEU    7 QD1        6.530
NOEUPP  LEU    7 HA    LEU    7 QD2        6.530
NOEUPP  LEU    7 HA    CYS    8 HN         2.490
NOEUPP  LEU    7 HA    SER   17 HA         3.080
NOEUPP  LEU    7 HA    ALA   18 HN         3.390
NOEUPP  LEU    7 HB2   CYS    8 HN         5.500
NOEUPP  LEU    7 HG    CYS    8 HN         5.500
NOEUPP  LEU    7 QQD   CYS    8 HN         7.420
NOEUPP  LEU    7 QQD   SER   17 HN         8.100
NOEUPP  CYS    8 HN    CYS    8 HB2        2.900
NOEUPP  CYS    8 HN    CYS    8 HB3        3.760
NOEUPP  CYS    8 HN    CYS    9 HN         5.500
NOEUPP  CYS    8 HN    VAL   16 HN         4.030
NOEUPP  CYS    8 HN    VAL   16 QQG        6.880
NOEUPP  CYS    8 HN    SER   17 HA         3.170
NOEUPP  CYS    8 HN    PRO   29 QD         6.380
NOEUPP  CYS    8 HA    CYS    8 HB3        2.930
NOEUPP  CYS    8 HA    CYS    9 HN         2.490
NOEUPP  CYS    8 HA    CYS   26 QB         6.380
NOEUPP  CYS    8 HA    VAL   28 HA         2.990
NOEUPP  CYS    8 HA    VAL   28 QQG        7.440
NOEUPP  CYS    8 HA    PRO   29 HD2        5.500
NOEUPP  CYS    8 HA    PRO   29 HD3        5.500
NOEUPP  CYS    8 HA    PRO   29 QD         4.670
NOEUPP  CYS    8 HB2   CYS    9 HN         3.580
NOEUPP  CYS    8 HB2   LEU   27 HN         5.500
NOEUPP  CYS    8 HB3   CYS    9 HN         2.990
NOEUPP  CYS    8 HB3   CYS   26 QB         4.830
NOEUPP  CYS    8 HB3   LEU   27 HN         5.160
NOEUPP  CYS    9 HN    CYS    9 HB2        2.650
NOEUPP  CYS    9 HN    CYS    9 HB3        3.450
NOEUPP  CYS    9 HN    ALA   15 QB         6.470
NOEUPP  CYS    9 HN    LEU   27 HN         4.260
NOEUPP  CYS    9 HN    LEU   27 HB2        5.220
NOEUPP  CYS    9 HN    LEU   27 HB3        5.220
NOEUPP  CYS    9 HN    LEU   27 QB         4.680
NOEUPP  CYS    9 HN    LEU   27 HG         5.500
NOEUPP  CYS    9 HN    LEU   27 QQD        8.100
NOEUPP  CYS    9 HN    VAL   28 HA         3.420
NOEUPP  CYS    9 HN    PRO   29 HD2        5.500
NOEUPP  CYS    9 HN    PRO   29 HD3        5.500
NOEUPP  CYS    9 HN    PRO   29 QD         4.830
NOEUPP  CYS    9 HA    ASP-  10 HN         2.490
NOEUPP  CYS    9 HA    ALA   15 HA         2.990
NOEUPP  CYS    9 HA    ALA   15 QB         6.530
NOEUPP  CYS    9 HA    VAL   16 HN         3.520
NOEUPP  CYS    9 HB3   ASP-  10 HN         3.550
NOEUPP  ASP-  10 HN    ASP-  10 QB         3.600
NOEUPP  ASP-  10 HN    GLY   11 HN         3.110
NOEUPP  ASP-  10 HN    ALA   12 HN         3.920
NOEUPP  ASP-  10 HN    LEU   13 QQD        7.040
NOEUPP  ASP-  10 HN    LYS   14 HN         4.230
NOEUPP  ASP-  10 HN    ALA   15 HA         3.390
NOEUPP  ASP-  10 HA    GLY   11 HN         3.210
NOEUPP  ASP-  10 HB2   GLY   11 HN         5.500
NOEUPP  ASP-  10 HB2   ALA   12 HN         4.070
NOEUPP  ASP-  10 HB3   GLY   11 HN         5.500
NOEUPP  ASP-  10 HB3   ALA   12 HN         4.070
NOEUPP  ASP-  10 QB    ALA   12 HN         3.870
NOEUPP  GLY   11 HN    ALA   12 HN         2.900
NOEUPP  GLY   11 HN    TYR   44 QD         7.640
NOEUPP  GLY   11 HA1   ALA   12 HN         3.520
NOEUPP  GLY   11 HA2   ALA   12 HN         3.520
NOEUPP  GLY   11 QA    ALA   12 HN         3.200
NOEUPP  GLY   11 QA    TYR   44 QE         8.510
NOEUPP  ALA   12 HN    ALA   12 QB         3.610
NOEUPP  ALA   12 HN    LEU   13 HN         3.480
NOEUPP  ALA   12 HN    LEU   13 QQD        8.100
NOEUPP  ALA   12 HN    LYS   14 HN         5.500
NOEUPP  ALA   12 HA    LEU   13 HN         2.800
NOEUPP  LEU   13 HN    LEU   13 HA         2.930
NOEUPP  LEU   13 HN    LEU   13 HG         5.500
NOEUPP  LEU   13 HN    LEU   13 QD1        6.530
NOEUPP  LEU   13 HN    LEU   13 QD2        6.530
NOEUPP  LEU   13 HN    LYS   14 HN         3.270
NOEUPP  LEU   13 HA    LEU   13 QD1        6.530
NOEUPP  LEU   13 HA    LEU   13 QD2        6.530
NOEUPP  LEU   13 HA    LYS   14 HN         3.420
NOEUPP  LEU   13 QQD   LYS   14 HN         7.450
NOEUPP  LYS   14 HN    LYS   14 QG         6.380
NOEUPP  LYS   14 HN    LYS   14 HD2        5.500
NOEUPP  LYS   14 HN    LYS   14 HD3        5.500
NOEUPP  LYS   14 HN    LYS   14 HE2        5.500
NOEUPP  LYS   14 HN    LYS   14 HE3        5.500
NOEUPP  LYS   14 HN    ALA   15 HN         4.850
NOEUPP  LYS   14 HA    LYS   14 HD2        5.500
NOEUPP  LYS   14 HA    LYS   14 HD3        5.500
NOEUPP  LYS   14 HA    LYS   14 HE2        5.500
NOEUPP  LYS   14 HA    LYS   14 HE3        5.500
NOEUPP  LYS   14 HA    ALA   15 HN         2.650
NOEUPP  LYS   14 QB    LYS   14 HE2        6.380
NOEUPP  LYS   14 QB    LYS   14 HE3        6.380
NOEUPP  LYS   14 QG    ALA   15 HN         6.380
NOEUPP  ALA   15 HN    VAL   16 HN         5.070
NOEUPP  ALA   15 QB    VAL   16 HN         4.020
NOEUPP  ALA   15 QB    PRO   29 QB         7.410
NOEUPP  ALA   15 QB    PRO   29 QG         6.010
NOEUPP  VAL   16 HN    VAL   16 HB         3.240
NOEUPP  VAL   16 HN    SER   17 HN         5.040
NOEUPP  VAL   16 HA    VAL   16 HB         2.740
NOEUPP  VAL   16 HB    SER   17 HN         5.500
NOEUPP  VAL   16 QQG   SER   17 HN         5.920
NOEUPP  SER   17 HN    ALA   18 HN         4.930
NOEUPP  SER   17 HA    ALA   18 HN         2.430
NOEUPP  SER   17 HB2   ALA   18 HN         3.920
NOEUPP  SER   17 HB3   ALA   18 HN         3.920
NOEUPP  ALA   18 HN    CYS   19 HN         4.600
NOEUPP  ALA   18 HA    CYS   19 HN         2.400
NOEUPP  ALA   18 QB    CYS   19 HN         3.950
NOEUPP  ALA   18 QB    LEU   20 QQD        9.130
NOEUPP  CYS   19 HN    CYS   19 HB2        2.860
NOEUPP  CYS   19 HN    CYS   19 HB3        2.740
NOEUPP  CYS   19 HN    LEU   20 HN         3.890
NOEUPP  CYS   19 HA    LEU   20 HN         2.520
NOEUPP  CYS   19 HB2   LEU   20 HN         5.500
NOEUPP  CYS   19 HB3   LEU   20 HN         5.500
NOEUPP  LEU   20 HN    LEU   20 QB         3.450
NOEUPP  LEU   20 HN    LEU   20 HG         5.500
NOEUPP  LEU   20 HN    LEU   20 QD1        6.530
NOEUPP  LEU   20 HN    LEU   20 QD2        6.530
NOEUPP  LEU   20 HN    HIS   21 HN         5.560
NOEUPP  LEU   20 HA    LEU   20 QD1        6.530
NOEUPP  LEU   20 HA    LEU   20 QD2        6.530
NOEUPP  LEU   20 HA    HIS   21 HN         2.400
NOEUPP  LEU   20 QB    HIS   21 HN         4.520
NOEUPP  LEU   20 HG    HIS   21 HN         3.240
NOEUPP  LEU   20 HG    GLU-  24 HN         5.280
NOEUPP  LEU   20 QD1   HIS   21 HN         6.530
NOEUPP  LEU   20 QD1   SER   25 HA         6.530
NOEUPP  LEU   20 QD1   CYS   26 HN         6.530
NOEUPP  LEU   20 QD2   HIS   21 HN         6.530
NOEUPP  LEU   20 QD2   SER   25 HA         6.530
NOEUPP  LEU   20 QD2   CYS   26 HN         6.530
NOEUPP  LEU   20 QQD   HIS   21 HN         5.880
NOEUPP  LEU   20 QQD   SER   25 HA         5.700
NOEUPP  LEU   20 QQD   CYS   26 HN         6.040
NOEUPP  HIS   21 HN    HIS   21 HB2        2.770
NOEUPP  HIS   21 HN    HIS   21 HB3        3.980
NOEUPP  HIS   21 HN    HIS   21 HD1        4.720
NOEUPP  HIS   21 HN    GLU-  22 HN         4.380
NOEUPP  HIS   21 HN    GLU-  24 HN         5.190
NOEUPP  HIS   21 HN    GLU-  24 HB2        3.270
NOEUPP  HIS   21 HN    GLU-  24 HB3        3.270
NOEUPP  HIS   21 HN    GLU-  24 QG         6.350
NOEUPP  HIS   21 HA    HIS   21 HB3        2.930
NOEUPP  HIS   21 HA    HIS   21 HD1        5.500
NOEUPP  HIS   21 HA    GLU-  22 HN         2.650
NOEUPP  HIS   21 HA    SER   23 HN         4.260
NOEUPP  HIS   21 HB2   GLU-  22 HN         3.080
NOEUPP  HIS   21 HB2   SER   23 HN         3.830
NOEUPP  HIS   21 HB2   GLU-  24 HN         4.040
NOEUPP  HIS   21 HB3   GLU-  22 HN         2.860
NOEUPP  HIS   21 HB3   SER   23 HN         5.500
NOEUPP  HIS   21 HB3   GLU-  24 HN         4.480
NOEUPP  HIS   21 HD1   GLU-  24 QB         6.380
NOEUPP  GLU-  22 HN    GLU-  22 HA         2.770
NOEUPP  GLU-  22 HN    GLU-  22 QB         3.830
NOEUPP  GLU-  22 HN    GLU-  22 QG         5.260
NOEUPP  GLU-  22 HN    SER   23 HN         3.920
NOEUPP  GLU-  22 HN    GLU-  24 HN         5.470
NOEUPP  GLU-  22 QB    SER   23 HN         3.740
NOEUPP  GLU-  22 QG    SER   23 HN         5.480
NOEUPP  SER   23 HN    SER   23 HA         2.740
NOEUPP  SER   23 HN    SER   23 QB         3.650
NOEUPP  SER   23 HN    GLU-  24 HN         2.930
NOEUPP  SER   23 HA    GLU-  24 HN         3.140
NOEUPP  SER   23 HB2   GLU-  24 HN         4.200
NOEUPP  SER   23 HB3   GLU-  24 HN         4.200
NOEUPP  SER   23 QB    GLU-  24 HN         3.700
NOEUPP  GLU-  24 HN    GLU-  24 HB2        2.830
NOEUPP  GLU-  24 HN    GLU-  24 HB3        2.830
NOEUPP  GLU-  24 HN    GLU-  24 QG         6.380
NOEUPP  GLU-  24 HN    SER   25 HN         4.670
NOEUPP  GLU-  24 HA    SER   25 HN         2.400
NOEUPP  GLU-  24 QB    SER   25 HN         3.840
NOEUPP  GLU-  24 QG    SER   25 HN         5.380
NOEUPP  SER   25 HA    CYS   26 HN         2.590
NOEUPP  CYS   26 HN    CYS   26 HB2        4.010
NOEUPP  CYS   26 HN    CYS   26 HB3        4.010
NOEUPP  CYS   26 HN    CYS   26 QB         3.710
NOEUPP  CYS   26 HN    LEU   27 HN         4.480
NOEUPP  CYS   26 HA    LEU   27 HN         2.550
NOEUPP  CYS   26 HB2   LEU   27 HN         3.300
NOEUPP  CYS   26 HB3   LEU   27 HN         3.300
NOEUPP  CYS   26 QB    LEU   27 HN         2.880
NOEUPP  LEU   27 HN    LEU   27 HB2        2.740
NOEUPP  LEU   27 HN    LEU   27 HB3        2.740
NOEUPP  LEU   27 HN    LEU   27 HG         5.070
NOEUPP  LEU   27 HN    LEU   27 QD1        6.530
NOEUPP  LEU   27 HN    LEU   27 QD2        6.530
NOEUPP  LEU   27 HN    VAL   28 HN         4.170
NOEUPP  LEU   27 HA    LEU   27 QD1        6.530
NOEUPP  LEU   27 HA    LEU   27 QD2        6.530
NOEUPP  LEU   27 HA    VAL   28 HN         2.400
NOEUPP  LEU   27 QB    VAL   28 HN         5.230
NOEUPP  LEU   27 HG    VAL   28 HN         5.440
NOEUPP  LEU   27 HG    TYR   44 QD         7.640
NOEUPP  LEU   27 HG    TYR   44 QE         7.630
NOEUPP  LEU   27 QQD   TYR   44 QD        10.240
NOEUPP  LEU   27 QQD   TYR   44 QE         9.890
NOEUPP  VAL   28 HN    VAL   28 HB         2.960
NOEUPP  VAL   28 HN    VAL   28 QG1        4.360
NOEUPP  VAL   28 HN    VAL   28 QG2        4.360
NOEUPP  VAL   28 HN    VAL   28 QQG        3.700
NOEUPP  VAL   28 HN    PRO   29 HD2        5.500
NOEUPP  VAL   28 HN    PRO   29 HD3        5.500
NOEUPP  VAL   28 HA    VAL   28 HB         2.960
NOEUPP  VAL   28 HA    PRO   29 HD2        3.080
NOEUPP  VAL   28 HA    PRO   29 HD3        3.080
NOEUPP  VAL   28 HA    PRO   29 QD         2.820
NOEUPP  VAL   28 HB    PRO   29 QD         4.180
NOEUPP  VAL   28 QG1   PRO   29 HD2        8.280
NOEUPP  VAL   28 QG1   PRO   29 HD3        8.280
NOEUPP  VAL   28 QG2   PRO   29 HD2        8.280
NOEUPP  VAL   28 QG2   PRO   29 HD3        8.280
NOEUPP  VAL   28 QQG   PRO   29 QD         6.780
NOEUPP  PRO   29 HA    CYS   42 HN         5.500
NOEUPP  PRO   29 HA    CYS   42 HA         3.330
NOEUPP  PRO   29 HA    SER   43 HN         4.070
NOEUPP  PRO   29 HB2   GLY   30 HN         3.520
NOEUPP  PRO   29 HB2   THR   40 QG2        6.530
NOEUPP  PRO   29 HB3   GLY   30 HN         3.520
NOEUPP  PRO   29 HB3   THR   40 QG2        6.530
NOEUPP  PRO   29 QB    GLY   30 HN         3.150
NOEUPP  PRO   29 QB    THR   40 QG2        5.850
NOEUPP  PRO   29 HG2   THR   40 QG2        6.530
NOEUPP  PRO   29 HG3   THR   40 QG2        6.530
NOEUPP  PRO   29 QG    GLY   30 HN         5.510
NOEUPP  PRO   29 QD    GLY   30 HN         5.480
NOEUPP  GLY   30 HN    ASP-  31 HN         5.890
NOEUPP  GLY   30 HN    THR   40 HA         4.070
NOEUPP  GLY   30 HN    THR   40 QG2        6.530
NOEUPP  GLY   30 HN    LEU   41 HN         3.450
NOEUPP  GLY   30 HN    CYS   42 HA         3.520
NOEUPP  GLY   30 HN    PHE   51 HZ         3.640
NOEUPP  GLY   30 QA    ASP-  31 HN         2.970
NOEUPP  ASP-  31 HN    ASP-  31 HB2        2.710
NOEUPP  ASP-  31 HN    CYS   32 HN         4.570
NOEUPP  ASP-  31 HN    THR   40 QG2        6.530
NOEUPP  ASP-  31 HN    PHE   51 HZ         4.940
NOEUPP  ASP-  31 HN    CYS   60 HN         5.110
NOEUPP  ASP-  31 HA    ASP-  31 HB3        2.830
NOEUPP  ASP-  31 HA    CYS   32 HN         2.400
NOEUPP  ASP-  31 HA    LEU   39 HN         3.920
NOEUPP  ASP-  31 HA    THR   40 HA         2.860
NOEUPP  ASP-  31 HA    THR   40 QG2        6.470
NOEUPP  ASP-  31 HA    LEU   41 HN         3.580
NOEUPP  ASP-  31 HB2   CYS   32 HN         5.500
NOEUPP  ASP-  31 HB3   CYS   32 HN         5.500
NOEUPP  ASP-  31 HB3   CYS   32 HA         5.500
NOEUPP  ASP-  31 HB3   LEU   39 HN         4.140
NOEUPP  CYS   32 HN    CYS   33 HN         5.040
NOEUPP  CYS   32 HN    ARG   38 HA         5.500
NOEUPP  CYS   32 HN    LEU   39 HN         3.210
NOEUPP  CYS   32 HN    LEU   39 HA         5.500
NOEUPP  CYS   32 HN    LEU   39 QB         5.260
NOEUPP  CYS   32 HN    LEU   39 HG         5.500
NOEUPP  CYS   32 HN    LEU   39 QD1        6.530
NOEUPP  CYS   32 HN    LEU   39 QD2        6.530
NOEUPP  CYS   32 HN    THR   40 HA         3.270
NOEUPP  CYS   32 HN    CYS   60 HN         5.890
NOEUPP  CYS   32 HA    CYS   33 HN         2.460
NOEUPP  CYS   32 HA    CYS   33 QB         5.640
NOEUPP  CYS   32 HA    TYR   57 HB2        5.500
NOEUPP  CYS   32 HA    TYR   57 HB3        5.500
NOEUPP  CYS   32 HA    ARG   58 HN         3.730
NOEUPP  CYS   32 HA    GLN   59 HA         2.800
NOEUPP  CYS   32 HA    CYS   60 HN         3.640
NOEUPP  CYS   33 HN    ARG   34 HN         5.110
NOEUPP  CYS   33 HN    TYR   57 QE         7.420
NOEUPP  CYS   33 HN    ARG   58 HN         2.740
NOEUPP  CYS   33 HN    GLN   59 HN         5.220
NOEUPP  CYS   33 HN    GLN   59 HA         3.240
NOEUPP  CYS   33 HN    CYS   60 HN         4.740
NOEUPP  CYS   33 HN    CYS   60 HA         3.760
NOEUPP  CYS   33 HA    ARG   34 HN         2.400
NOEUPP  CYS   33 HA    ARG   34 HA         5.160
NOEUPP  CYS   33 HA    ARG   38 HA         2.800
NOEUPP  CYS   33 HA    LEU   39 HN         3.520
NOEUPP  CYS   33 HA    TYR   57 QD         7.640
NOEUPP  CYS   33 HA    TYR   57 QE         7.630
NOEUPP  CYS   33 HB2   CYS   60 HB2        7.250
NOEUPP  CYS   33 HB2   CYS   60 HB3        7.250
NOEUPP  CYS   33 HB3   CYS   60 HB2        7.250
NOEUPP  CYS   33 HB3   CYS   60 HB3        7.250
NOEUPP  CYS   33 QB    CYS   60 HA         6.380
NOEUPP  CYS   33 QB    CYS   60 QB         6.320
NOEUPP  ARG   34 HN    ARG   34 HA         2.900
NOEUPP  ARG   34 HN    ARG   34 HB2        3.610
NOEUPP  ARG   34 HN    ARG   34 HB3        3.140
NOEUPP  ARG   34 HN    ARG   34 HG2        5.500
NOEUPP  ARG   34 HN    ARG   34 HG3        5.500
NOEUPP  ARG   34 HN    ARG   34 QD         6.380
NOEUPP  ARG   34 HN    GLY   35 HN         4.570
NOEUPP  ARG   34 HN    SER   37 HN         4.260
NOEUPP  ARG   34 HN    SER   37 QB         6.380
NOEUPP  ARG   34 HN    ARG   38 HA         3.390
NOEUPP  ARG   34 HN    LEU   39 HN         5.500
NOEUPP  ARG   34 HN    TYR   57 QD         7.640
NOEUPP  ARG   34 HN    ARG   58 HN         5.500
NOEUPP  ARG   34 HA    ARG   34 HB2        2.960
NOEUPP  ARG   34 HA    ARG   34 QG         3.730
NOEUPP  ARG   34 HA    ARG   34 HD2        5.500
NOEUPP  ARG   34 HA    ARG   34 HD3        5.500
NOEUPP  ARG   34 HA    ARG   34 HE         4.070
NOEUPP  ARG   34 HA    TYR   57 HA         5.500
NOEUPP  ARG   34 HA    ARG   58 HN         3.760
NOEUPP  ARG   34 HB2   ARG   34 HE         5.160
NOEUPP  ARG   34 HB2   GLY   35 HN         4.790
NOEUPP  ARG   34 HB2   TYR   57 QD         7.640
NOEUPP  ARG   34 HB2   TYR   57 QE         7.630
NOEUPP  ARG   34 HB3   ARG   34 HE         4.170
NOEUPP  ARG   34 HB3   GLY   35 HN         5.500
NOEUPP  ARG   34 HB3   SER   37 HN         4.540
NOEUPP  ARG   34 HB3   TYR   57 QD         7.640
NOEUPP  ARG   34 HB3   TYR   57 QE         7.630
NOEUPP  ARG   34 HG2   ARG   34 HE         3.890
NOEUPP  ARG   34 HG2   GLY   35 HN         4.480
NOEUPP  ARG   34 HG3   ARG   34 HE         3.890
NOEUPP  ARG   34 HG3   GLY   35 HN         4.480
NOEUPP  ARG   34 QG    ARG   34 HE         3.560
NOEUPP  ARG   34 QG    GLY   35 HN         4.330
NOEUPP  ARG   34 QD    TYR   57 QD         8.520
NOEUPP  GLY   35 HN    GLY   35 HA1        2.800
NOEUPP  GLY   35 HN    GLY   35 HA2        2.800
NOEUPP  GLY   35 HN    GLY   35 QA         2.470
NOEUPP  GLY   35 HN    LYS   36 HN         4.440
NOEUPP  GLY   35 QA    SER   37 HN         4.580
NOEUPP  LYS   36 HN    LYS   36 HA         2.830
NOEUPP  LYS   36 HN    LYS   36 QB         3.390
NOEUPP  LYS   36 HN    LYS   36 HG2        3.420
NOEUPP  LYS   36 HN    LYS   36 HG3        3.420
NOEUPP  LYS   36 HN    LYS   36 QG         3.060
NOEUPP  LYS   36 HN    LYS   36 QE         6.380
NOEUPP  LYS   36 HN    SER   37 HN         3.180
NOEUPP  LYS   36 HA    LYS   36 QG         3.920
NOEUPP  LYS   36 HA    LYS   36 QD         6.380
NOEUPP  LYS   36 HA    LYS   36 QE         6.380
NOEUPP  LYS   36 HA    SER   37 HN         3.140
NOEUPP  LYS   36 HB2   LYS   36 QE         6.380
NOEUPP  LYS   36 HB3   LYS   36 QE         6.380
NOEUPP  LYS   36 QB    SER   37 HN         6.380
NOEUPP  LYS   36 HG2   SER   37 HN         5.040
NOEUPP  LYS   36 HG3   SER   37 HN         5.040
NOEUPP  LYS   36 QG    SER   37 HN         4.670
NOEUPP  SER   37 HN    ARG   38 HN         4.890
NOEUPP  SER   37 HA    ARG   38 HN         2.400
NOEUPP  SER   37 HB2   ARG   38 HN         5.500
NOEUPP  SER   37 HB2   TYR   57 QD         7.640
NOEUPP  SER   37 HB3   ARG   38 HN         5.500
NOEUPP  SER   37 HB3   TYR   57 QD         7.640
NOEUPP  ARG   38 HN    ARG   38 HB2        3.790
NOEUPP  ARG   38 HN    ARG   38 HB3        3.790
NOEUPP  ARG   38 HN    ARG   38 QB         3.190
NOEUPP  ARG   38 HN    ARG   38 HG2        5.380
NOEUPP  ARG   38 HN    ARG   38 HG3        5.380
NOEUPP  ARG   38 HN    ARG   38 QD         5.910
NOEUPP  ARG   38 HN    ARG   38 HE         5.500
NOEUPP  ARG   38 HN    LEU   39 HN         5.370
NOEUPP  ARG   38 HN    LEU   39 QQD        8.100
NOEUPP  ARG   38 HA    ARG   38 QD         6.380
NOEUPP  ARG   38 HA    ARG   38 HE         4.910
NOEUPP  ARG   38 HA    LEU   39 HN         2.400
NOEUPP  ARG   38 HA    TYR   57 QD         7.640
NOEUPP  ARG   38 HB2   ARG   38 HE         3.980
NOEUPP  ARG   38 HB2   LEU   39 HN         3.920
NOEUPP  ARG   38 HB3   ARG   38 HE         3.980
NOEUPP  ARG   38 HB3   LEU   39 HN         3.920
NOEUPP  ARG   38 QB    ARG   38 HE         3.580
NOEUPP  ARG   38 HG2   LEU   39 HN         5.500
NOEUPP  ARG   38 HG3   LEU   39 HN         5.500
NOEUPP  ARG   38 QD    LEU   39 HN         6.380
NOEUPP  ARG   38 HE    LEU   39 HA         4.420
NOEUPP  LEU   39 HN    LEU   39 HA         2.930
NOEUPP  LEU   39 HN    LEU   39 HG         5.500
NOEUPP  LEU   39 HN    LEU   39 QD1        6.530
NOEUPP  LEU   39 HN    LEU   39 QD2        6.530
NOEUPP  LEU   39 HN    THR   40 HN         4.510
NOEUPP  LEU   39 HN    TYR   57 QD         7.640
NOEUPP  LEU   39 HA    LEU   39 QD1        6.530
NOEUPP  LEU   39 HA    LEU   39 QD2        6.530
NOEUPP  LEU   39 HA    THR   40 HN         2.400
NOEUPP  LEU   39 QB    THR   40 HN         6.380
NOEUPP  LEU   39 QB    TYR   57 QD         8.520
NOEUPP  LEU   39 QB    TYR   57 QE         8.510
NOEUPP  LEU   39 HG    THR   40 HN         5.500
NOEUPP  LEU   39 QD1   THR   40 HN         6.530
NOEUPP  LEU   39 QD1   TYR   57 QD         8.670
NOEUPP  LEU   39 QD2   THR   40 HN         6.530
NOEUPP  LEU   39 QD2   TYR   57 QD         8.670
NOEUPP  LEU   39 QQD   THR   40 HN         5.550
NOEUPP  LEU   39 QQD   TYR   57 QE        10.230
NOEUPP  THR   40 HN    THR   40 HB         2.590
NOEUPP  THR   40 HN    LEU   41 HN         5.500
NOEUPP  THR   40 HA    LEU   41 HN         2.490
NOEUPP  THR   40 HA    LEU   41 HB2        5.500
NOEUPP  THR   40 HA    LEU   41 HB3        5.500
NOEUPP  THR   40 HA    LEU   41 HG         5.500
NOEUPP  THR   40 QG2   LEU   41 HN         4.880
NOEUPP  LEU   41 HN    LEU   41 HG         5.500
NOEUPP  LEU   41 HN    LEU   41 QD1        6.530
NOEUPP  LEU   41 HN    LEU   41 QD2        6.530
NOEUPP  LEU   41 HN    CYS   42 HN         5.480
NOEUPP  LEU   41 HA    LEU   41 QD1        6.530
NOEUPP  LEU   41 HA    LEU   41 QD2        6.530
NOEUPP  LEU   41 HB2   CYS   42 HN         5.500
NOEUPP  LEU   41 HB3   CYS   42 HN         5.500
NOEUPP  LEU   41 QB    PHE   51 QE         8.500
NOEUPP  LEU   41 QB    PHE   51 HZ         6.380
NOEUPP  LEU   41 HG    CYS   42 HN         5.500
NOEUPP  LEU   41 HG    PHE   51 QE         7.620
NOEUPP  LEU   41 HG    PHE   51 HZ         5.500
NOEUPP  LEU   41 QD1   CYS   42 HN         6.530
NOEUPP  LEU   41 QD1   PRO   54 HD2        9.670
NOEUPP  LEU   41 QD1   PRO   54 HD3        9.670
NOEUPP  LEU   41 QD2   CYS   42 HN         6.530
NOEUPP  LEU   41 QD2   PRO   54 HD2        9.670
NOEUPP  LEU   41 QD2   PRO   54 HD3        9.670
NOEUPP  LEU   41 QQD   PRO   54 QD         7.800
NOEUPP  CYS   42 HN    CYS   42 HB2        2.860
NOEUPP  CYS   42 HN    CYS   42 HB3        3.700
NOEUPP  CYS   42 HN    SER   43 HN         4.540
NOEUPP  CYS   42 HA    SER   43 HN         2.740
NOEUPP  CYS   42 HA    PHE   51 QE         7.620
NOEUPP  CYS   42 HB2   SER   43 HN         4.170
NOEUPP  CYS   42 HB3   SER   43 HN         3.610
NOEUPP  SER   43 HN    TYR   44 HN         4.600
NOEUPP  SER   43 HN    PHE   51 QD         7.620
NOEUPP  SER   43 HN    PHE   51 QE         7.620
NOEUPP  SER   43 HA    TYR   44 HN         2.520
NOEUPP  SER   43 HA    TYR   44 QE         7.630
NOEUPP  SER   43 QB    PHE   51 QD         8.500
NOEUPP  SER   43 QB    PHE   51 QE         8.500
NOEUPP  SER   43 QB    GLN   52 HN         5.820
NOEUPP  TYR   44 HN    TYR   44 HB2        2.830
NOEUPP  TYR   44 HN    TYR   44 HB3        3.360
NOEUPP  TYR   44 HN    TYR   44 QE         6.110
NOEUPP  TYR   44 HN    GLY   45 HN         4.630
NOEUPP  TYR   44 HA    GLY   45 HN         2.740
NOEUPP  TYR   44 HA    PHE   51 HA         3.700
NOEUPP  TYR   44 HA    GLN   52 HN         4.140
NOEUPP  TYR   44 HB2   GLY   45 HN         3.300
NOEUPP  TYR   44 HB3   GLY   45 HN         3.240
NOEUPP  TYR   44 QD    PHE   51 HB2        7.640
NOEUPP  TYR   44 QD    PHE   51 HB3        7.640
NOEUPP  TYR   44 QD    PHE   51 QB         7.530
NOEUPP  TYR   44 QE    PHE   51 HA         7.630
NOEUPP  TYR   44 QE    PHE   51 QB         8.510
NOEUPP  GLY   45 HN    GLU-  46 HN         4.330
NOEUPP  GLY   45 HN    GLN   52 HA         5.500
NOEUPP  GLY   45 HN    GLN   52 QG         6.380
NOEUPP  GLU-  46 HN    GLU-  46 QG         5.260
NOEUPP  GLU-  46 HN    GLY   47 HN         4.520
NOEUPP  GLU-  46 HA    GLY   47 HN         2.770
NOEUPP  GLU-  46 HB2   GLY   47 HN         3.950
NOEUPP  GLU-  46 HB3   GLY   47 HN         3.950
NOEUPP  GLU-  46 QB    GLY   47 HN         3.730
NOEUPP  GLU-  46 QG    GLY   47 HN         6.380
NOEUPP  GLY   47 HN    GLY   47 HA1        2.800
NOEUPP  GLY   47 HN    GLY   47 HA2        2.800
NOEUPP  GLY   47 HN    GLY   48 HN         3.420
NOEUPP  GLY   48 HN    ASN   49 HN         3.330
NOEUPP  ASN   49 HN    GLY   50 HN         3.810
NOEUPP  ASN   49 HA    GLY   50 HN         2.990
NOEUPP  GLY   50 HN    PHE   51 HN         4.410
NOEUPP  PHE   51 HN    PHE   51 HB2        2.860
NOEUPP  PHE   51 HN    PHE   51 HB3        2.860
NOEUPP  PHE   51 HN    GLN   52 HN         4.930
NOEUPP  PHE   51 HA    GLN   52 HN         2.460
NOEUPP  PHE   51 HB2   GLN   52 HN         4.010
NOEUPP  PHE   51 HB3   GLN   52 HN         4.010
NOEUPP  PHE   51 QB    GLN   52 HN         3.800
NOEUPP  PHE   51 QD    GLN   52 HN         7.590
NOEUPP  GLN   52 HN    GLN   52 HB2        3.360
NOEUPP  GLN   52 HN    GLN   52 HB3        3.360
NOEUPP  GLN   52 HN    GLN   52 QB         3.070
NOEUPP  GLN   52 HN    GLN   52 QG         5.540
NOEUPP  GLN   52 HN    CYS   53 HN         4.450
NOEUPP  GLN   52 HB2   CYS   53 HN         5.500
NOEUPP  GLN   52 HB3   CYS   53 HN         5.500
NOEUPP  GLN   52 QG    CYS   53 HN         6.380
NOEUPP  GLN   52 QE2   CYS   53 HN         6.370
NOEUPP  CYS   53 HB2   TYR   57 HN         5.500
NOEUPP  CYS   53 HB3   TYR   57 HN         5.500
NOEUPP  PRO   54 HB2   THR   55 HN         3.360
NOEUPP  PRO   54 HB2   TYR   57 QE         7.630
NOEUPP  PRO   54 HB3   THR   55 HN         3.360
NOEUPP  PRO   54 HB3   TYR   57 QE         7.630
NOEUPP  PRO   54 QB    THR   55 HN         3.060
NOEUPP  PRO   54 QB    TYR   57 QD         8.520
NOEUPP  PRO   54 QG    THR   55 HN         4.860
NOEUPP  PRO   54 QG    TYR   57 QD         8.520
NOEUPP  PRO   54 QG    TYR   57 QE         8.510
NOEUPP  PRO   54 HD2   TYR   57 QE         7.630
NOEUPP  PRO   54 HD3   TYR   57 QE         7.630
NOEUPP  PRO   54 QD    THR   55 HN         5.590
NOEUPP  PRO   54 QD    TYR   57 QD         8.520
NOEUPP  THR   55 HN    GLY   56 HN         4.670
NOEUPP  THR   55 HN    TYR   57 QE         7.630
NOEUPP  THR   55 HA    GLY   56 HN         2.400
NOEUPP  THR   55 HA    TYR   57 HN         3.140
NOEUPP  THR   55 HB    GLY   56 HN         5.500
NOEUPP  THR   55 QG2   GLY   56 HN         6.530
NOEUPP  THR   55 QG2   TYR   57 HN         6.530
NOEUPP  GLY   56 HN    GLY   56 HA1        2.860
NOEUPP  GLY   56 HN    GLY   56 HA2        2.860
NOEUPP  GLY   56 HN    GLY   56 QA         2.550
NOEUPP  GLY   56 HN    TYR   57 HN         3.290
NOEUPP  GLY   56 HN    TYR   57 QD         7.640
NOEUPP  GLY   56 HN    TYR   57 QE         7.630
NOEUPP  GLY   56 HA1   TYR   57 HN         3.330
NOEUPP  GLY   56 HA2   TYR   57 HN         3.330
NOEUPP  GLY   56 QA    TYR   57 HN         3.120
NOEUPP  TYR   57 HN    TYR   57 HB2        2.550
NOEUPP  TYR   57 HN    TYR   57 QE         7.630
NOEUPP  TYR   57 HN    ARG   58 HN         5.370
NOEUPP  TYR   57 HB3   ARG   58 HN         5.500
NOEUPP  TYR   57 QE    ARG   58 HN         7.480
NOEUPP  ARG   58 HN    ARG   58 HG2        5.500
NOEUPP  ARG   58 HN    ARG   58 HG3        5.500
NOEUPP  ARG   58 HN    ARG   58 QG         4.970
NOEUPP  ARG   58 HN    ARG   58 QD         5.140
NOEUPP  ARG   58 HN    GLN   59 HN         5.370
NOEUPP  ARG   58 HA    ARG   58 QD         6.380
NOEUPP  ARG   58 HA    ARG   58 HE         5.500
NOEUPP  ARG   58 QB    ARG   58 HE         6.380
NOEUPP  ARG   58 HG2   GLN   59 HN         5.500
NOEUPP  ARG   58 HG3   GLN   59 HN         5.500
NOEUPP  ARG   58 QD    GLN   59 HN         6.380
NOEUPP  GLN   59 HN    GLN   59 HA         2.830
NOEUPP  GLN   59 HN    GLN   59 QB         3.430
NOEUPP  GLN   59 HN    GLN   59 QG         4.670
NOEUPP  GLN   59 HN    CYS   60 HN         4.790
NOEUPP  GLN   59 HA    CYS   60 HN         2.520
NOEUPP  GLN   59 QG    CYS   60 HN         6.380
NOEUPP  CYS   60 HA    CYS   60 HB2        2.830
NOEUPP  CYS   60 HA    CYS   60 HB3        2.830
NOELOW  ARG    2 HN    CYS    3 HN         3.430
NOELOW  ARG    2 QG    CYS    3 HN         3.130
NOELOW  ARG    2 QD    ARG    2 HE         2.490
NOELOW  CYS    3 HN    CYS    3 HA         2.250
NOELOW  CYS    3 HN    ARG    4 HN         3.230
NOELOW  CYS    3 HA    HIS   21 HA         2.150
NOELOW  CYS    3 HB2   TYR    5 HN         4.000
NOELOW  CYS    3 HB2   CYS   19 HA         4.000
NOELOW  CYS    3 HB3   TYR    5 HN         4.000
NOELOW  CYS    3 HB3   CYS   19 HA         4.000
NOELOW  CYS    3 QB    ARG    4 HN         1.790
NOELOW  CYS    3 QB    LEU   20 HN         2.790
NOELOW  ARG    4 HN    ARG    4 HA         2.250
NOELOW  ARG    4 HN    ARG    4 QD         2.980
NOELOW  ARG    4 HN    TYR    5 HN         3.040
NOELOW  ARG    4 HN    LEU   20 HN         2.740
NOELOW  ARG    4 HN    HIS   21 HA         2.670
NOELOW  ARG    4 HA    ARG    4 QB         2.400
NOELOW  ARG    4 HA    ARG    4 HG2        2.100
NOELOW  ARG    4 HA    ARG    4 HG3        2.100
NOELOW  TYR    5 HN    TYR    5 QB         2.610
NOELOW  TYR    5 HN    TYR    5 QE         3.580
NOELOW  TYR    5 HN    THR    6 HN         3.580
NOELOW  TYR    5 HA    CYS   19 HA         1.790
NOELOW  TYR    5 HA    LEU   20 HN         2.490
NOELOW  TYR    5 QB    THR    6 HN         3.010
NOELOW  TYR    5 QD    CYS   19 HB2        2.940
NOELOW  TYR    5 QE    THR    6 HN         3.620
NOELOW  THR    6 HN    THR    6 HA         2.520
NOELOW  THR    6 HN    THR    6 HB         2.520
NOELOW  THR    6 HN    THR    6 QG2        3.010
NOELOW  THR    6 HN    LEU    7 HN         3.550
NOELOW  THR    6 HN    ALA   18 HN         2.910
NOELOW  THR    6 HN    CYS   19 HA         2.860
NOELOW  THR    6 HN    LEU   20 HN         3.010
NOELOW  THR    6 HB    LEU    7 HN         2.550
NOELOW  THR    6 HB    LEU   20 QB         3.120
NOELOW  THR    6 HB    LEU   20 QQD        1.530
NOELOW  THR    6 QG2   LEU   20 QQD        1.490
NOELOW  LEU    7 HN    LEU    7 HA         2.300
NOELOW  LEU    7 HN    LEU    7 QD1        3.520
NOELOW  LEU    7 HN    LEU    7 QD2        3.520
NOELOW  LEU    7 HN    LEU    7 QQD        3.320
NOELOW  LEU    7 HN    CYS    8 HN         3.550
NOELOW  LEU    7 HA    SER   17 HA         1.880
NOELOW  LEU    7 HA    ALA   18 HN         2.580
NOELOW  LEU    7 QQD   CYS    8 HN         1.890
NOELOW  CYS    8 HN    CYS    8 HA         2.460
NOELOW  CYS    8 HN    CYS    8 HB2        2.180
NOELOW  CYS    8 HN    CYS    8 HB3        2.860
NOELOW  CYS    8 HN    VAL   16 HN         2.690
NOELOW  CYS    8 HN    VAL   16 QQG        1.630
NOELOW  CYS    8 HN    SER   17 HA         2.400
NOELOW  CYS    8 HN    PRO   29 QD         2.370
NOELOW  CYS    8 HA    CYS   26 QB         2.030
NOELOW  CYS    8 HA    VAL   28 HA         1.850
NOELOW  CYS    8 HA    VAL   28 QQG        1.240
NOELOW  CYS    8 HA    PRO   29 HD2        2.030
NOELOW  CYS    8 HA    PRO   29 HD3        2.030
NOELOW  CYS    8 HA    PRO   29 QD         2.250
NOELOW  CYS    8 HB2   CYS    9 HN         2.700
NOELOW  CYS    8 HB2   LEU   27 HN         4.500
NOELOW  CYS    8 HB3   CYS    9 HN         2.250
NOELOW  CYS    8 HB3   CYS   26 QB         1.180
NOELOW  CYS    8 HB3   LEU   27 HN         3.040
NOELOW  CYS    9 HN    CYS    9 HA         2.370
NOELOW  CYS    9 HN    CYS    9 HB3        2.610
NOELOW  CYS    9 HN    ALA   15 QB         3.770
NOELOW  CYS    9 HN    LEU   27 HN         3.190
NOELOW  CYS    9 HN    LEU   27 HB2        2.670
NOELOW  CYS    9 HN    LEU   27 HB3        2.670
NOELOW  CYS    9 HN    LEU   27 QB         2.720
NOELOW  CYS    9 HN    LEU   27 HG         4.100
NOELOW  CYS    9 HN    VAL   28 HA         2.580
NOELOW  CYS    9 HN    PRO   29 HD2        2.640
NOELOW  CYS    9 HN    PRO   29 HD3        2.640
NOELOW  CYS    9 HN    PRO   29 QD         2.790
NOELOW  CYS    9 HA    ALA   15 HA         1.850
NOELOW  CYS    9 HA    ALA   15 QB         3.310
NOELOW  CYS    9 HA    VAL   16 HN         2.640
NOELOW  CYS    9 HB3   ASP-  10 HN         2.670
NOELOW  ASP-  10 HN    ASP-  10 HA         2.460
NOELOW  ASP-  10 HN    GLY   11 HN         2.340
NOELOW  ASP-  10 HN    ALA   12 HN         2.940
NOELOW  ASP-  10 HN    LEU   13 QQD        1.710
NOELOW  ASP-  10 HN    LYS   14 HN         3.190
NOELOW  ASP-  10 HN    ALA   15 HA         2.580
NOELOW  ASP-  10 HA    GLY   11 HN         2.430
NOELOW  ASP-  10 HB2   ALA   12 HN         2.910
NOELOW  ASP-  10 HB3   ALA   12 HN         2.910
NOELOW  ASP-  10 QB    GLY   11 HN         2.100
NOELOW  ASP-  10 QB    ALA   12 HN         2.850
NOELOW  GLY   11 HN    ALA   12 HN         2.180
NOELOW  GLY   11 HN    LEU   13 HN         4.000
NOELOW  GLY   11 HN    LYS   14 HN         4.000
NOELOW  GLY   11 HN    CYS   42 HB2        4.000
NOELOW  GLY   11 HN    CYS   42 HB3        4.000
NOELOW  GLY   11 HN    TYR   44 QD         3.280
NOELOW  GLY   11 HA1   ALA   12 HN         2.370
NOELOW  GLY   11 HA2   ALA   12 HN         2.370
NOELOW  GLY   11 QA    TYR   44 QE         3.130
NOELOW  ALA   12 HN    ALA   12 HA         2.220
NOELOW  ALA   12 HN    LEU   13 HN         2.640
NOELOW  ALA   12 HN    LEU   13 QQD        2.530
NOELOW  ALA   12 HN    LYS   14 HN         3.730
NOELOW  LEU   13 HN    LYS   14 HN         2.290
NOELOW  LEU   13 HA    LYS   14 HN         2.580
NOELOW  LEU   13 QQD   LYS   14 HN         1.930
NOELOW  LYS   14 HN    LYS   14 HA         2.280
NOELOW  LYS   14 HN    ALA   15 HN         3.310
NOELOW  ALA   15 HN    VAL   16 HN         3.380
NOELOW  ALA   15 QB    VAL   16 HN         2.520
NOELOW  ALA   15 QB    PRO   29 QB         2.340
NOELOW  ALA   15 QB    PRO   29 QG         1.670
NOELOW  VAL   16 HN    VAL   16 HB         2.430
NOELOW  VAL   16 HN    SER   17 HN         3.360
NOELOW  SER   17 HN    ALA   18 HN         3.290
NOELOW  SER   17 QB    ALA   18 HN         2.070
NOELOW  ALA   18 HN    ALA   18 HA         2.370
NOELOW  ALA   18 HN    CYS   19 HN         3.460
NOELOW  ALA   18 QB    CYS   19 HN         2.490
NOELOW  ALA   18 QB    LEU   20 QQD        1.710
NOELOW  CYS   19 HN    CYS   19 HA         2.400
NOELOW  CYS   19 HN    CYS   19 HB2        2.150
NOELOW  CYS   19 HN    CYS   19 HB3        2.060
NOELOW  CYS   19 HN    LEU   20 HN         2.910
NOELOW  LEU   20 HN    LEU   20 HA         2.370
NOELOW  LEU   20 HN    LEU   20 QD1        3.740
NOELOW  LEU   20 HN    LEU   20 QD2        3.740
NOELOW  LEU   20 HN    LEU   20 QQD        3.490
NOELOW  LEU   20 HN    HIS   21 HN         3.700
NOELOW  LEU   20 HA    GLU-  24 QB         3.120
NOELOW  LEU   20 QB    HIS   21 HN         1.990
NOELOW  LEU   20 HG    HIS   21 HN         2.220
NOELOW  LEU   20 HG    GLU-  24 HN         3.060
NOELOW  LEU   20 QD1   HIS   21 HN         3.340
NOELOW  LEU   20 QD1   SER   25 HA         2.580
NOELOW  LEU   20 QD2   HIS   21 HN         3.340
NOELOW  LEU   20 QD2   SER   25 HA         2.580
NOELOW  LEU   20 QQD   HIS   21 HN         3.320
NOELOW  LEU   20 QQD   SER   25 HA         2.760
NOELOW  LEU   20 QQD   CYS   26 HN         1.930
NOELOW  HIS   21 HN    HIS   21 HB2        2.100
NOELOW  HIS   21 HN    HIS   21 HB3        3.010
NOELOW  HIS   21 HN    HIS   21 HD1        2.860
NOELOW  HIS   21 HN    GLU-  22 HN         2.940
NOELOW  HIS   21 HN    GLU-  24 HN         3.460
NOELOW  HIS   21 HN    GLU-  24 HB2        2.460
NOELOW  HIS   21 HN    GLU-  24 HB3        2.460
NOELOW  HIS   21 HN    GLU-  24 QG         3.130
NOELOW  HIS   21 HA    SER   23 HN         3.220
NOELOW  HIS   21 HB2   GLU-  22 HN         2.340
NOELOW  HIS   21 HB2   SER   23 HN         2.890
NOELOW  HIS   21 HB2   GLU-  24 HN         3.060
NOELOW  HIS   21 HB3   HIS   21 HD1        2.740
NOELOW  HIS   21 HB3   GLU-  22 HN         2.150
NOELOW  HIS   21 HB3   GLU-  24 HN         3.370
NOELOW  GLU-  22 HN    GLU-  22 QG         2.700
NOELOW  GLU-  22 HN    SER   23 HN         2.710
NOELOW  GLU-  22 HN    GLU-  24 HN         4.130
NOELOW  GLU-  22 QB    SER   23 HN         2.150
NOELOW  GLU-  22 QB    SER   23 HA         3.120
NOELOW  GLU-  22 QG    SER   23 HN         2.790
NOELOW  SER   23 HN    GLU-  24 HN         2.220
NOELOW  SER   23 HA    GLU-  24 HN         2.400
NOELOW  SER   23 HB2   GLU-  24 HN         2.550
NOELOW  SER   23 HB3   GLU-  24 HN         2.550
NOELOW  SER   23 QB    GLU-  24 HN         2.730
NOELOW  GLU-  24 HN    GLU-  24 HB2        2.100
NOELOW  GLU-  24 HN    GLU-  24 HB3        2.100
NOELOW  GLU-  24 HN    SER   25 HN         3.110
NOELOW  GLU-  24 QG    SER   25 HN         2.760
NOELOW  SER   25 HN    SER   25 HA         2.400
NOELOW  SER   25 HN    SER   25 QB         2.490
NOELOW  CYS   26 HN    CYS   26 HA         2.550
NOELOW  CYS   26 HN    CYS   26 HB2        2.700
NOELOW  CYS   26 HN    CYS   26 HB3        2.700
NOELOW  CYS   26 HN    CYS   26 QB         2.740
NOELOW  CYS   26 HN    LEU   27 HN         2.980
NOELOW  CYS   26 HB2   LEU   27 HN         2.030
NOELOW  CYS   26 HB3   LEU   27 HN         2.030
NOELOW  CYS   26 QB    LEU   27 HN         2.100
NOELOW  LEU   27 HN    LEU   27 HA         2.280
NOELOW  LEU   27 HN    LEU   27 HB2        2.060
NOELOW  LEU   27 HN    LEU   27 HB3        2.060
NOELOW  LEU   27 HN    LEU   27 HG         2.980
NOELOW  LEU   27 HN    LEU   27 QD1        3.980
NOELOW  LEU   27 HN    LEU   27 QD2        3.980
NOELOW  LEU   27 HN    VAL   28 HN         3.160
NOELOW  LEU   27 QB    VAL   28 HN         2.400
NOELOW  LEU   27 HG    VAL   28 HN         3.130
NOELOW  LEU   27 QQD   TYR   44 QD         1.710
NOELOW  LEU   27 QQD   TYR   44 QE         1.410
NOELOW  VAL   28 HN    VAL   28 HA         2.370
NOELOW  VAL   28 HN    VAL   28 HB         2.220
NOELOW  VAL   28 HN    VAL   28 QG1        2.300
NOELOW  VAL   28 HN    VAL   28 QG2        2.300
NOELOW  VAL   28 HB    PRO   29 HD2        1.850
NOELOW  VAL   28 HB    PRO   29 HD3        1.850
NOELOW  VAL   28 HB    PRO   29 QD         2.030
NOELOW  VAL   28 QG1   PRO   29 HD2        0.100
NOELOW  VAL   28 QG1   PRO   29 HD3        0.100
NOELOW  VAL   28 QG2   PRO   29 HD2        0.100
NOELOW  VAL   28 QG2   PRO   29 HD3        0.100
NOELOW  VAL   28 QQG   PRO   29 QD         2.420
NOELOW  PRO   29 HA    CYS   42 HA         2.060
NOELOW  PRO   29 HA    CYS   42 HB3        4.000
NOELOW  PRO   29 HA    SER   43 HN         3.060
NOELOW  PRO   29 HB2   GLY   30 HN         2.250
NOELOW  PRO   29 HB2   THR   40 QG2        2.580
NOELOW  PRO   29 HB2   CYS   42 HN         4.000
NOELOW  PRO   29 HB3   GLY   30 HN         2.250
NOELOW  PRO   29 HB3   THR   40 QG2        2.580
NOELOW  PRO   29 HB3   CYS   42 HN         4.000
NOELOW  PRO   29 QB    GLY   30 HN         2.310
NOELOW  PRO   29 QB    THR   40 QG2        2.890
NOELOW  PRO   29 QB    CYS   42 HA         3.120
NOELOW  PRO   29 HG2   THR   40 QG2        3.890
NOELOW  PRO   29 HG3   THR   40 QG2        3.890
NOELOW  GLY   30 HN    ASP-  31 HN         3.930
NOELOW  GLY   30 HN    THR   40 HA         3.060
NOELOW  GLY   30 HN    LEU   41 HN         2.610
NOELOW  GLY   30 HN    CYS   42 HA         2.640
NOELOW  GLY   30 HN    SER   43 HN         4.000
NOELOW  GLY   30 HN    PHE   51 HZ         2.400
NOELOW  GLY   30 QA    PHE   51 HZ         3.120
NOELOW  ASP-  31 HN    ASP-  31 HA         2.300
NOELOW  ASP-  31 HN    ASP-  31 HB2        2.030
NOELOW  ASP-  31 HN    CYS   32 HN         3.430
NOELOW  ASP-  31 HN    PHE   51 HZ         2.940
NOELOW  ASP-  31 HN    CYS   60 HN         3.410
NOELOW  ASP-  31 HA    LEU   39 HN         2.940
NOELOW  ASP-  31 HA    THR   40 HA         1.760
NOELOW  ASP-  31 HA    THR   40 QG2        3.060
NOELOW  ASP-  31 HA    THR   40 HG1        4.000
NOELOW  ASP-  31 HA    LEU   41 HN         2.700
NOELOW  ASP-  31 HB3   LEU   39 HN         2.610
NOELOW  CYS   32 HN    CYS   32 HA         2.430
NOELOW  CYS   32 HN    CYS   33 HN         3.360
NOELOW  CYS   32 HN    LEU   39 HN         2.430
NOELOW  CYS   32 HN    LEU   39 QB         2.700
NOELOW  CYS   32 HN    LEU   39 HG         3.370
NOELOW  CYS   32 HN    LEU   39 QQD        2.350
NOELOW  CYS   32 HN    THR   40 HA         2.460
NOELOW  CYS   32 HN    CYS   60 HN         3.930
NOELOW  CYS   32 HA    CYS   33 QB         2.060
NOELOW  CYS   32 HA    ARG   58 HN         2.820
NOELOW  CYS   32 HA    GLN   59 HA         1.760
NOELOW  CYS   32 HA    CYS   60 HN         2.760
NOELOW  CYS   33 HN    CYS   33 HA         2.520
NOELOW  CYS   33 HN    ARG   34 HN         3.410
NOELOW  CYS   33 HN    TYR   57 QE         3.060
NOELOW  CYS   33 HN    ARG   58 HN         2.060
NOELOW  CYS   33 HN    GLN   59 HN         3.480
NOELOW  CYS   33 HN    GLN   59 HA         2.430
NOELOW  CYS   33 HN    CYS   60 HN         3.160
NOELOW  CYS   33 HN    CYS   60 HA         2.820
NOELOW  CYS   33 HA    ARG   34 HA         3.190
NOELOW  CYS   33 HA    ARG   38 HA         1.760
NOELOW  CYS   33 HA    LEU   39 HN         2.640
NOELOW  CYS   33 HA    TYR   57 QD         4.800
NOELOW  CYS   33 HA    TYR   57 QE         2.580
NOELOW  CYS   33 QB    ARG   38 HA         3.120
NOELOW  CYS   33 QB    ARG   38 QG         2.250
NOELOW  CYS   33 QB    CYS   60 HA         2.920
NOELOW  CYS   33 QB    CYS   60 QB         2.140
NOELOW  ARG   34 HN    ARG   34 HA         2.180
NOELOW  ARG   34 HN    ARG   34 HB2        2.740
NOELOW  ARG   34 HN    ARG   34 HB3        2.370
NOELOW  ARG   34 HN    GLY   35 HN         3.430
NOELOW  ARG   34 HN    SER   37 HN         2.840
NOELOW  ARG   34 HN    ARG   38 HA         2.550
NOELOW  ARG   34 HN    LEU   39 HN         4.400
NOELOW  ARG   34 HA    ARG   34 HB3        2.550
NOELOW  ARG   34 HA    ARG   34 HE         2.580
NOELOW  ARG   34 HA    ARG   58 HN         2.860
NOELOW  ARG   34 HB2   ARG   34 HE         3.040
NOELOW  ARG   34 HB2   GLY   35 HN         3.620
NOELOW  ARG   34 HB3   ARG   34 QG         2.330
NOELOW  ARG   34 HB3   ARG   34 QD         2.340
NOELOW  ARG   34 HB3   ARG   34 HE         2.610
NOELOW  ARG   34 HB3   SER   37 HN         3.430
NOELOW  ARG   34 HB3   TYR   57 QD         2.890
NOELOW  ARG   34 HB3   TYR   57 QE         4.650
NOELOW  ARG   34 HG2   ARG   34 HE         2.300
NOELOW  ARG   34 HG2   GLY   35 HN         2.700
NOELOW  ARG   34 HG3   ARG   34 HE         2.300
NOELOW  ARG   34 HG3   GLY   35 HN         2.700
NOELOW  GLY   35 HN    LYS   36 HN         2.960
NOELOW  GLY   35 QA    SER   37 HN         1.910
NOELOW  LYS   36 HN    LYS   36 HG2        2.060
NOELOW  LYS   36 HN    LYS   36 HG3        2.060
NOELOW  LYS   36 HN    LYS   36 QG         2.000
NOELOW  LYS   36 HN    SER   37 HN         2.120
NOELOW  LYS   36 HA    SER   37 HN         2.370
NOELOW  LYS   36 HG2   SER   37 HN         2.740
NOELOW  LYS   36 HG3   SER   37 HN         2.740
NOELOW  LYS   36 QG    SER   37 HN         2.730
NOELOW  SER   37 HN    SER   37 HA         2.220
NOELOW  SER   37 HN    ARG   38 HN         3.260
NOELOW  SER   37 HB2   TYR   57 QD         2.610
NOELOW  SER   37 HB3   TYR   57 QD         2.610
NOELOW  SER   37 QB    TYR   57 QD         3.250
NOELOW  ARG   38 HN    ARG   38 HA         2.300
NOELOW  ARG   38 HN    ARG   38 QD         2.980
NOELOW  ARG   38 HN    LEU   39 HN         3.580
NOELOW  ARG   38 HN    LEU   39 QQD        2.590
NOELOW  ARG   38 HA    ARG   38 HG2        2.130
NOELOW  ARG   38 HA    ARG   38 HG3        2.130
NOELOW  ARG   38 HA    ARG   38 QD         3.740
NOELOW  ARG   38 HA    ARG   38 HE         2.910
NOELOW  ARG   38 HA    TYR   57 QD         4.070
NOELOW  ARG   38 HB2   LEU   39 HN         2.910
NOELOW  ARG   38 HB3   LEU   39 HN         2.910
NOELOW  ARG   38 HE    LEU   39 HA         2.740
NOELOW  LEU   39 HN    THR   40 HN         3.400
NOELOW  LEU   39 QD1   THR   40 HN         2.980
NOELOW  LEU   39 QD2   THR   40 HN         2.980
NOELOW  LEU   39 QQD   THR   40 HN         3.520
NOELOW  LEU   39 QQD   TYR   57 QD         2.250
NOELOW  THR   40 HN    THR   40 HA         2.280
NOELOW  THR   40 HN    THR   40 QG2        3.430
NOELOW  THR   40 QG2   LEU   41 HN         2.980
NOELOW  LEU   41 HN    LEU   41 HA         2.520
NOELOW  LEU   41 HN    LEU   41 QD1        4.500
NOELOW  LEU   41 HN    LEU   41 QD2        4.500
NOELOW  LEU   41 HN    LEU   41 QQD        4.380
NOELOW  LEU   41 HN    CYS   42 HN         3.660
NOELOW  LEU   41 QQD   PRO   54 QD         1.660
NOELOW  CYS   42 HN    CYS   42 HB2        2.150
NOELOW  CYS   42 HN    CYS   42 HB3        2.790
NOELOW  CYS   42 HN    SER   43 HN         3.430
NOELOW  CYS   42 HN    TYR   44 QE         4.000
NOELOW  CYS   42 HA    PHE   51 QE         3.550
NOELOW  CYS   42 HB2   SER   43 HN         3.160
NOELOW  CYS   42 HB3   SER   43 HN         2.700
NOELOW  SER   43 HN    SER   43 HA         2.520
NOELOW  SER   43 HN    SER   43 QB         2.460
NOELOW  SER   43 HN    TYR   44 HN         3.500
NOELOW  SER   43 HN    TYR   44 QD         4.000
NOELOW  SER   43 HN    PHE   51 QE         3.160
NOELOW  SER   43 HA    TYR   44 QE         3.340
NOELOW  SER   43 HA    PHE   51 HA         4.000
NOELOW  SER   43 HA    PHE   51 QD         4.000
NOELOW  SER   43 QB    TYR   44 HN         2.790
NOELOW  SER   43 QB    PHE   51 QD         3.740
NOELOW  SER   43 QB    PHE   51 QE         3.670
NOELOW  SER   43 QB    GLN   52 HN         2.940
NOELOW  SER   43 QB    CYS   53 HA         4.000
NOELOW  SER   43 QB    PRO   54 QD         4.000
NOELOW  TYR   44 HN    TYR   44 HA         2.340
NOELOW  TYR   44 HN    TYR   44 HB2        2.150
NOELOW  TYR   44 HN    TYR   44 HB3        2.550
NOELOW  TYR   44 HN    GLY   45 HN         3.090
NOELOW  TYR   44 HA    TYR   44 QD         2.910
NOELOW  TYR   44 HA    PHE   51 HA         2.280
NOELOW  TYR   44 HA    GLN   52 HN         3.130
NOELOW  TYR   44 HB2   GLY   45 HN         2.490
NOELOW  TYR   44 HB3   GLY   45 HN         2.430
NOELOW  TYR   44 QD    PHE   51 HB2        2.550
NOELOW  TYR   44 QD    PHE   51 HB3        2.550
NOELOW  TYR   44 QD    PHE   51 QB         2.980
NOELOW  TYR   44 QE    PHE   51 HA         3.520
NOELOW  TYR   44 QE    PHE   51 QB         2.620
NOELOW  GLY   45 HN    GLU-  46 HN         2.890
NOELOW  GLY   45 HN    GLN   52 QG         3.550
NOELOW  GLU-  46 HN    GLU-  46 HA         2.220
NOELOW  GLU-  46 HN    GLU-  46 QG         2.700
NOELOW  GLU-  46 HN    GLY   47 HN         3.010
NOELOW  GLU-  46 HA    GLU-  46 QB         2.400
NOELOW  GLU-  46 HA    GLU-  46 QG         3.060
NOELOW  GLU-  46 HB2   GLY   47 HN         2.790
NOELOW  GLU-  46 HB3   GLY   47 HN         2.790
NOELOW  GLU-  46 QB    GLY   47 HN         2.750
NOELOW  GLU-  46 QG    GLY   47 HN         3.400
NOELOW  GLY   47 HN    GLY   48 HN         2.580
NOELOW  GLY   48 HN    ASN   49 HN         2.520
NOELOW  GLY   48 QA    ASN   49 HN         2.760
NOELOW  ASN   49 HN    ASN   49 HA         2.490
NOELOW  ASN   49 HN    ASN   49 QB         2.430
NOELOW  ASN   49 HN    GLY   50 HN         2.540
NOELOW  ASN   49 HA    GLY   50 HN         2.280
NOELOW  ASN   49 QB    GLY   50 HN         2.980
NOELOW  GLY   50 HN    PHE   51 HN         2.940
NOELOW  PHE   51 HN    PHE   51 HA         2.370
NOELOW  PHE   51 HN    PHE   51 HB2        2.130
NOELOW  PHE   51 HN    PHE   51 HB3        2.130
NOELOW  PHE   51 HN    PHE   51 QD         3.250
NOELOW  PHE   51 HN    GLN   52 HN         3.290
NOELOW  PHE   51 HA    PHE   51 QE         4.680
NOELOW  PHE   51 HB2   GLN   52 HN         2.860
NOELOW  PHE   51 HB3   GLN   52 HN         2.860
NOELOW  PHE   51 QB    GLN   52 HN         2.800
NOELOW  PHE   51 QD    GLN   52 HN         3.130
NOELOW  GLN   52 HN    GLN   52 HA         2.400
NOELOW  GLN   52 HN    GLN   52 HB2        2.280
NOELOW  GLN   52 HN    GLN   52 HB3        2.280
NOELOW  GLN   52 HN    GLN   52 QG         2.820
NOELOW  GLN   52 HN    CYS   53 HN         3.260
NOELOW  GLN   52 HA    GLN   52 QG         2.460
NOELOW  CYS   53 HN    CYS   53 HA         2.700
NOELOW  CYS   53 HA    PRO   54 HD2        2.060
NOELOW  CYS   53 HA    PRO   54 HD3        2.060
NOELOW  PRO   54 HB2   THR   55 HN         2.250
NOELOW  PRO   54 HB3   THR   55 HN         2.250
NOELOW  PRO   54 QB    THR   55 HN         2.240
NOELOW  PRO   54 QB    TYR   57 QD         2.250
NOELOW  PRO   54 QB    TYR   57 QE         2.770
NOELOW  PRO   54 QD    TYR   57 QE         3.430
NOELOW  THR   55 HN    THR   55 QG2        3.130
NOELOW  THR   55 HN    GLY   56 HN         3.110
NOELOW  THR   55 HA    TYR   57 HN         2.370
NOELOW  THR   55 HB    GLY   56 HN         4.160
NOELOW  THR   55 HB    TYR   57 QD         4.000
NOELOW  THR   55 HB    TYR   57 QE         4.000
NOELOW  GLY   56 HN    TYR   57 HN         2.190
NOELOW  GLY   56 HA1   TYR   57 HN         2.370
NOELOW  GLY   56 HA2   TYR   57 HN         2.370
NOELOW  TYR   57 HN    TYR   57 HA         2.280
NOELOW  TYR   57 HN    TYR   57 HB2        1.910
NOELOW  TYR   57 HN    TYR   57 QE         4.800
NOELOW  TYR   57 HN    ARG   58 HN         3.580
NOELOW  TYR   57 QE    ARG   58 HN         3.100
NOELOW  ARG   58 HN    ARG   58 QG         1.880
NOELOW  ARG   58 HN    ARG   58 QD         2.670
NOELOW  ARG   58 HN    GLN   59 HN         3.580
NOELOW  ARG   58 HA    ARG   58 QG         2.410
NOELOW  ARG   58 HA    ARG   58 QD         3.620
NOELOW  ARG   58 QB    ARG   58 QD         2.860
NOELOW  ARG   58 QG    GLN   59 HN         2.250
NOELOW  GLN   59 HN    GLN   59 QG         2.460
NOELOW  GLN   59 HN    CYS   60 HN         3.380
NOELOW  GLN   59 HA    GLN   59 QG         2.280
NOELOW  GLN   59 QG    GLN   59 HE21       2.910
NOELOW  GLN   59 QG    GLN   59 HE22       2.910
NOELOW  GLN   59 QG    GLN   59 QE2        2.930
NOELOW  CYS   60 HN    CYS   60 HA         2.580
QCONVR conversion torsion angle restraints from restraints.rst
count 45 type diana
ANGLE   ARG    4 PHI    -90.000 -150.000
ANGLE   TYR    5 PHI    180.000  -60.000
ANGLE   THR    6 PHI    -90.000 -150.000
ANGLE   LEU    7 PHI    -80.000 -160.000
ANGLE   CYS    8 PHI    -90.000 -150.000
ANGLE   ASP-  10 PHI    -90.000 -150.000
ANGLE   ALA   12 PHI    -90.000 -150.000
ANGLE   VAL   16 PHI    -90.000 -150.000
ANGLE   ALA   18 PHI    -90.000 -150.000
ANGLE   CYS   19 PHI    -90.000 -150.000
ANGLE   LEU   20 PHI    -90.000 -150.000
ANGLE   HIS   21 PHI    -90.000 -150.000
ANGLE   SER   23 PHI    -80.000 -160.000
ANGLE   SER   25 PHI    -90.000 -150.000
ANGLE   ASP-  31 PHI    -90.000 -150.000
ANGLE   CYS   32 PHI    -90.000 -150.000
ANGLE   CYS   33 PHI    -90.000 -150.000
ANGLE   LYS   36 PHI    -90.000 -150.000
ANGLE   SER   37 PHI    -80.000 -160.000
ANGLE   ARG   38 PHI    -90.000 -150.000
ANGLE   LEU   39 PHI    -90.000 -150.000
ANGLE   THR   40 PHI    -90.000 -150.000
ANGLE   LEU   41 PHI    -90.000 -150.000
ANGLE   CYS   42 PHI    -90.000 -150.000
ANGLE   SER   43 PHI    -80.000 -160.000
ANGLE   TYR   44 PHI    -90.000 -150.000
ANGLE   ASN   49 PHI    -90.000 -150.000
ANGLE   GLN   52 PHI    -90.000 -150.000
ANGLE   TYR   57 PHI    -90.000 -150.000
ANGLE   ARG   58 PHI    -90.000 -150.000
ANGLE   CYS   60 PHI    -80.000 -160.000
ANGLE   GLY   11 PHI    210.000   30.000
ANGLE   GLY   30 PHI    210.000   30.000
ANGLE   GLY   56 PHI    210.000   30.000
ANGLE   LEU    7 CHI1   -30.000  -90.000
ANGLE   CYS    8 CHI1   -30.000  -90.000
ANGLE   CYS    9 CHI1   -30.000  -90.000
ANGLE   CYS   19 CHI1  -150.000 -210.000
ANGLE   HIS   21 CHI1   -30.000  -90.000
ANGLE   ASP-  31 CHI1   -30.000  -90.000
ANGLE   CYS   32 CHI1   -30.000  -90.000
ANGLE   ARG   34 CHI1  -150.000 -210.000
ANGLE   CYS   42 CHI1   -30.000  -90.000
ANGLE   TYR   44 CHI1   -30.000  -90.000
ANGLE   TYR   57 CHI1   -30.000  -90.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1H        ASP   1 -23.962  -6.020  -0.711
    2    HA   ASP   1           HA       ASP   1 -24.481  -6.349  -3.545
    3   1HB   ASP   1          1HB       ASP   1 -22.221  -4.542  -2.734
    4   2HB   ASP   1          2HB       ASP   1 -23.193  -4.510  -4.192
    5    H    ARG   2           H        ARG   2 -22.077  -6.676  -4.632
    6    HA   ARG   2           HA       ARG   2 -20.972  -8.840  -3.159
    7   1HB   ARG   2          1HB       ARG   2 -19.657  -7.798  -5.665
    8   2HB   ARG   2          2HB       ARG   2 -19.948  -9.457  -5.180
    9   1HG   ARG   2          1HG       ARG   2 -21.660  -9.378  -6.695
   10   2HG   ARG   2          2HG       ARG   2 -22.537  -8.557  -5.420
   11   1HD   ARG   2          1HD       ARG   2 -21.298  -6.391  -6.431
   12   2HD   ARG   2          2HD       ARG   2 -21.212  -7.389  -7.869
   13    HE   ARG   2           HE       ARG   2 -23.872  -7.277  -6.598
   14   1HH1  ARG   2          1HH1      ARG   2 -21.727  -5.910  -9.065
   15   2HH1  ARG   2          2HH1      ARG   2 -23.022  -5.225  -9.988
   16   1HH2  ARG   2          1HH2      ARG   2 -25.280  -5.510  -9.236
   17    H    CYS   3           H        CYS   3 -18.587  -9.039  -2.714
   18    HA   CYS   3           HA       CYS   3 -17.613  -6.953  -1.255
   19   1HB   CYS   3          1HB       CYS   3 -15.780  -8.236  -0.877
   20   2HB   CYS   3          2HB       CYS   3 -16.889  -9.460  -1.463
   21    H    ARG   4           H        ARG   4 -15.610  -5.585  -1.714
   22    HA   ARG   4           HA       ARG   4 -15.689  -4.766  -4.505
   23   1HB   ARG   4          1HB       ARG   4 -16.027  -3.268  -2.096
   24   2HB   ARG   4          2HB       ARG   4 -14.458  -2.801  -2.722
   25   1HG   ARG   4          1HG       ARG   4 -15.393  -2.111  -4.842
   26   2HG   ARG   4          2HG       ARG   4 -16.925  -2.894  -4.506
   27   1HD   ARG   4          1HD       ARG   4 -15.851  -0.612  -2.787
   28   2HD   ARG   4          2HD       ARG   4 -16.856  -0.332  -4.195
   29    HE   ARG   4           HE       ARG   4 -18.043  -2.295  -2.402
   30   1HH1  ARG   4          1HH1      ARG   4 -17.627   1.185  -2.923
   31   2HH1  ARG   4          2HH1      ARG   4 -19.047   1.615  -2.030
   32   1HH2  ARG   4          1HH2      ARG   4 -20.378  -0.115  -1.039
   33    H    TYR   5           H        TYR   5 -13.966  -5.967  -5.389
   34    HA   TYR   5           HA       TYR   5 -11.665  -6.743  -4.165
   35   1HB   TYR   5          1HB       TYR   5 -12.489  -5.847  -6.971
   36   2HB   TYR   5          2HB       TYR   5 -10.824  -6.323  -6.702
   37    HD1  TYR   5           1HD      TYR   5 -10.210  -8.637  -6.415
   38    HD2  TYR   5           2HD      TYR   5 -14.327  -7.512  -6.708
   39    HE1  TYR   5           1HE      TYR   5 -10.861 -11.074  -6.739
   40    HE2  TYR   5           2HE      TYR   5 -14.964  -9.952  -7.031
   41    HH   TYR   5           HH       TYR   5 -12.830 -12.273  -7.883
   42    H    THR   6           H        THR   6 -10.261  -5.536  -2.979
   43    HA   THR   6           HA       THR   6  -9.517  -2.908  -4.085
   44    HB   THR   6           HB       THR   6  -9.205  -3.738  -1.178
   45    HG1  THR   6           1HG      THR   6 -11.527  -2.575  -2.543
   46   1HG2  THR   6          1HG2      THR   6  -8.479  -1.541  -1.232
   47   2HG2  THR   6          2HG2      THR   6  -9.273  -1.223  -2.794
   48   3HG2  THR   6          3HG2      THR   6 -10.220  -1.175  -1.287
   49    H    LEU   7           H        LEU   7  -7.248  -2.206  -3.522
   50    HA   LEU   7           HA       LEU   7  -5.505  -4.506  -3.998
   51   1HB   LEU   7          1HB       LEU   7  -5.370  -1.589  -4.673
   52   2HB   LEU   7          2HB       LEU   7  -3.897  -2.535  -4.577
   53    HG   LEU   7           HG       LEU   7  -5.910  -3.879  -6.197
   54   1HD1  LEU   7          1HD1      LEU   7  -5.368  -0.990  -6.726
   55   2HD1  LEU   7          2HD1      LEU   7  -5.459  -2.106  -8.110
   56   3HD1  LEU   7          3HD1      LEU   7  -6.840  -1.954  -6.998
   57   1HD2  LEU   7          1HD2      LEU   7  -3.568  -4.502  -6.201
   58   2HD2  LEU   7          2HD2      LEU   7  -4.054  -3.948  -7.821
   59   3HD2  LEU   7          3HD2      LEU   7  -3.106  -2.877  -6.761
   60    H    CYS   8           H        CYS   8  -4.689  -5.363  -2.159
   61    HA   CYS   8           HA       CYS   8  -3.686  -3.439  -0.193
   62   1HB   CYS   8          1HB       CYS   8  -5.091  -6.053   0.395
   63   2HB   CYS   8          2HB       CYS   8  -4.280  -5.056   1.586
   64    H    CYS   9           H        CYS   9  -1.939  -4.562   1.242
   65    HA   CYS   9           HA       CYS   9  -0.327  -6.218  -0.541
   66   1HB   CYS   9          1HB       CYS   9   0.324  -4.249   1.617
   67   2HB   CYS   9          2HB       CYS   9   1.458  -5.540   1.277
   68    H    ASP  10           H        ASP  10   0.712  -8.148   0.353
   69    HA   ASP  10           HA       ASP  10  -0.925  -9.331   2.387
   70   1HB   ASP  10          1HB       ASP  10  -0.435 -10.738   0.499
   71   2HB   ASP  10          2HB       ASP  10   1.270 -10.333   0.538
   72    H    GLY  11           H        GLY  11   1.969  -7.509   2.145
   73   1HA   GLY  11          1HA       GLY  11   3.304  -6.839   3.890
   74   2HA   GLY  11          2HA       GLY  11   2.714  -8.161   4.878
   75    H    ALA  12           H        ALA  12   3.168 -10.168   2.625
   76    HA   ALA  12           HA       ALA  12   6.038 -10.094   2.282
   77   1HB   ALA  12          1HB       ALA  12   6.012 -12.547   3.268
   78   2HB   ALA  12          2HB       ALA  12   6.177 -11.145   4.352
   79   3HB   ALA  12          3HB       ALA  12   4.599 -11.948   4.170
   80    H    LEU  13           H        LEU  13   5.207  -9.841   0.057
   81    HA   LEU  13           HA       LEU  13   5.315 -12.142  -1.397
   82   1HB   LEU  13          1HB       LEU  13   2.833 -12.014  -0.083
   83   2HB   LEU  13          2HB       LEU  13   2.506 -11.583  -1.750
   84    HG   LEU  13           HG       LEU  13   4.058 -13.761  -2.155
   85   1HD1  LEU  13          1HD1      LEU  13   4.474 -14.448   0.035
   86   2HD1  LEU  13          2HD1      LEU  13   2.811 -14.098   0.567
   87   3HD1  LEU  13          3HD1      LEU  13   3.132 -15.493  -0.490
   88   1HD2  LEU  13          1HD2      LEU  13   1.935 -15.031  -2.439
   89   2HD2  LEU  13          2HD2      LEU  13   1.071 -13.683  -1.660
   90   3HD2  LEU  13          3HD2      LEU  13   1.923 -13.422  -3.201
   91    H    LYS  14           H        LYS  14   2.705  -9.700  -1.839
   92    HA   LYS  14           HA       LYS  14   4.133  -7.737  -3.090
   93   1HB   LYS  14          1HB       LYS  14   4.347 -10.027  -4.648
   94   2HB   LYS  14          2HB       LYS  14   3.050  -9.139  -5.422
   95   1HG   LYS  14          1HG       LYS  14   5.138  -8.387  -6.406
   96   2HG   LYS  14          2HG       LYS  14   4.516  -7.076  -5.423
   97   1HD   LYS  14          1HD       LYS  14   6.757  -7.131  -4.739
   98   2HD   LYS  14          2HD       LYS  14   6.002  -8.126  -3.508
   99   1HE   LYS  14          1HE       LYS  14   7.567  -9.692  -4.074
  100   2HE   LYS  14          2HE       LYS  14   6.539 -10.017  -5.456
  101   1HZ   LYS  14          1HZ       LYS  14   8.532  -7.856  -5.641
  102   2HZ   LYS  14          2HZ       LYS  14   9.016  -9.398  -5.843
  103    H    ALA  15           H        ALA  15   2.758  -6.025  -3.360
  104    HA   ALA  15           HA       ALA  15   0.190  -6.140  -2.431
  105   1HB   ALA  15          1HB       ALA  15   0.182  -3.902  -2.896
  106   2HB   ALA  15          2HB       ALA  15   1.914  -4.188  -3.190
  107   3HB   ALA  15          3HB       ALA  15   0.776  -4.136  -4.557
  108    H    VAL  16           H        VAL  16  -1.722  -6.903  -3.200
  109    HA   VAL  16           HA       VAL  16  -2.074  -7.061  -6.083
  110    HB   VAL  16           HB       VAL  16  -1.083  -9.226  -5.023
  111   1HG1  VAL  16          1HG1      VAL  16  -2.506 -10.689  -3.906
  112   2HG1  VAL  16          2HG1      VAL  16  -2.954  -9.115  -3.207
  113   3HG1  VAL  16          3HG1      VAL  16  -3.975  -9.853  -4.464
  114   1HG2  VAL  16          1HG2      VAL  16  -1.699 -10.156  -6.963
  115   2HG2  VAL  16          2HG2      VAL  16  -3.425 -10.096  -6.532
  116   3HG2  VAL  16          3HG2      VAL  16  -2.642  -8.676  -7.265
  117    H    SER  17           H        SER  17  -4.522  -8.233  -6.247
  118    HA   SER  17           HA       SER  17  -6.096  -6.374  -4.680
  119   1HB   SER  17          1HB       SER  17  -7.221  -8.066  -6.917
  120   2HB   SER  17          2HB       SER  17  -7.721  -6.472  -6.386
  121    HG   SER  17           HG       SER  17  -6.369  -5.601  -7.792
  122    H    ALA  18           H        ALA  18  -7.603  -7.066  -3.151
  123    HA   ALA  18           HA       ALA  18  -7.987  -9.975  -2.961
  124   1HB   ALA  18          1HB       ALA  18  -6.551  -9.459  -1.161
  125   2HB   ALA  18          2HB       ALA  18  -7.360  -7.906  -0.842
  126   3HB   ALA  18          3HB       ALA  18  -8.174  -9.434  -0.431
  127    H    CYS  19           H        CYS  19 -10.066 -10.594  -1.898
  128    HA   CYS  19           HA       CYS  19 -12.118  -8.719  -2.739
  129   1HB   CYS  19          1HB       CYS  19 -12.340 -10.924  -3.638
  130   2HB   CYS  19          2HB       CYS  19 -12.183 -11.660  -2.055
  131    H    LEU  20           H        LEU  20 -11.893  -7.207  -0.947
  132    HA   LEU  20           HA       LEU  20 -12.795  -8.343   1.609
  133   1HB   LEU  20          1HB       LEU  20 -10.912  -7.574   2.460
  134   2HB   LEU  20          2HB       LEU  20 -10.479  -6.768   0.966
  135    HG   LEU  20           HG       LEU  20 -12.445  -5.514   2.876
  136   1HD1  LEU  20          1HD1      LEU  20  -9.525  -5.854   3.240
  137   2HD1  LEU  20          2HD1      LEU  20 -10.165  -4.214   3.504
  138   3HD1  LEU  20          3HD1      LEU  20 -10.817  -5.584   4.435
  139   1HD2  LEU  20          1HD2      LEU  20 -11.896  -4.759   0.410
  140   2HD2  LEU  20          2HD2      LEU  20 -12.121  -3.568   1.713
  141   3HD2  LEU  20          3HD2      LEU  20 -10.479  -4.016   1.191
  142    H    HIS  21           H        HIS  21 -14.179  -6.895   2.916
  143    HA   HIS  21           HA       HIS  21 -15.897  -5.381   1.125
  144   1HB   HIS  21          1HB       HIS  21 -16.485  -6.074   4.001
  145   2HB   HIS  21          2HB       HIS  21 -17.613  -5.666   2.724
  146    HD1  HIS  21           1HD      HIS  21 -17.487  -7.551   0.595
  147    HD2  HIS  21           2HD      HIS  21 -16.364  -8.758   4.452
  148    HE1  HIS  21           1HE      HIS  21 -17.634 -10.098   0.618
  149    H    GLU  22           H        GLU  22 -16.988  -3.379   2.319
  150    HA   GLU  22           HA       GLU  22 -14.880  -1.590   2.755
  151   1HB   GLU  22          1HB       GLU  22 -17.546  -1.392   2.027
  152   2HB   GLU  22          2HB       GLU  22 -17.579  -0.739   3.653
  153   1HG   GLU  22          1HG       GLU  22 -17.048   1.191   2.464
  154   2HG   GLU  22          2HG       GLU  22 -15.434   0.619   2.834
  155    H    SER  23           H        SER  23 -16.960  -3.542   4.865
  156    HA   SER  23           HA       SER  23 -16.323  -2.038   7.187
  157   1HB   SER  23          1HB       SER  23 -18.131  -4.165   6.451
  158   2HB   SER  23          2HB       SER  23 -17.221  -4.689   7.854
  159    HG   SER  23           HG       SER  23 -19.327  -3.124   7.899
  160    H    GLU  24           H        GLU  24 -14.396  -3.834   5.232
  161    HA   GLU  24           HA       GLU  24 -12.874  -4.844   7.506
  162   1HB   GLU  24          1HB       GLU  24 -13.989  -6.580   5.892
  163   2HB   GLU  24          2HB       GLU  24 -12.747  -6.106   4.750
  164   1HG   GLU  24          1HG       GLU  24 -11.286  -6.489   7.100
  165   2HG   GLU  24          2HG       GLU  24 -12.514  -7.733   7.215
  166    H    SER  25           H        SER  25 -10.522  -4.710   7.298
  167    HA   SER  25           HA       SER  25  -9.715  -2.897   5.162
  168   1HB   SER  25          1HB       SER  25  -8.074  -1.922   6.867
  169   2HB   SER  25          2HB       SER  25  -9.762  -1.518   7.110
  170    HG   SER  25           HG       SER  25  -9.465  -2.281   9.088
  171    H    CYS  26           H        CYS  26  -7.140  -2.905   5.020
  172    HA   CYS  26           HA       CYS  26  -5.992  -5.417   5.824
  173   1HB   CYS  26          1HB       CYS  26  -5.223  -5.570   3.254
  174   2HB   CYS  26          2HB       CYS  26  -6.568  -6.462   3.935
  175    H    LEU  27           H        LEU  27  -3.570  -5.411   4.935
  176    HA   LEU  27           HA       LEU  27  -2.437  -2.967   5.769
  177   1HB   LEU  27          1HB       LEU  27  -1.576  -5.426   5.870
  178   2HB   LEU  27          2HB       LEU  27  -0.944  -5.091   4.270
  179    HG   LEU  27           HG       LEU  27   0.764  -4.768   5.967
  180   1HD1  LEU  27          1HD1      LEU  27   1.074  -3.420   4.054
  181   2HD1  LEU  27          2HD1      LEU  27  -0.180  -2.264   4.564
  182   3HD1  LEU  27          3HD1      LEU  27   1.360  -2.356   5.452
  183   1HD2  LEU  27          1HD2      LEU  27  -1.156  -3.953   7.649
  184   2HD2  LEU  27          2HD2      LEU  27   0.566  -3.562   7.875
  185   3HD2  LEU  27          3HD2      LEU  27  -0.530  -2.365   7.144
  186    H    VAL  28           H        VAL  28  -3.120  -1.234   4.493
  187    HA   VAL  28           HA       VAL  28  -3.076  -1.382   1.661
  188    HB   VAL  28           HB       VAL  28  -3.277   0.903   3.628
  189   1HG1  VAL  28          1HG1      VAL  28  -4.032   1.122   0.719
  190   2HG1  VAL  28          2HG1      VAL  28  -3.699   2.409   1.901
  191   3HG1  VAL  28          3HG1      VAL  28  -2.361   1.433   1.248
  192   1HG2  VAL  28          1HG2      VAL  28  -5.324  -0.652   2.019
  193   2HG2  VAL  28          2HG2      VAL  28  -5.181  -0.535   3.789
  194   3HG2  VAL  28          3HG2      VAL  28  -5.678   0.887   2.840
  195    HA   PRO  29           HA       PRO  29   1.110  -0.495   1.022
  196   1HB   PRO  29          1HB       PRO  29   1.044   0.277  -1.598
  197   2HB   PRO  29          2HB       PRO  29   1.045  -1.401  -1.093
  198   1HG   PRO  29          1HG       PRO  29  -1.198   0.221  -2.130
  199   2HG   PRO  29          2HG       PRO  29  -1.061  -1.523  -2.025
  200   1HD   PRO  29          1HD       PRO  29  -2.580   0.186  -0.293
  201   2HD   PRO  29          2HD       PRO  29  -2.349  -1.543  -0.121
  202    H    GLY  30           H        GLY  30   2.508   1.315  -0.339
  203   1HA   GLY  30          1HA       GLY  30   1.355   3.924   0.309
  204   2HA   GLY  30          2HA       GLY  30   2.811   3.452   1.162
  205    H    ASP  31           H        ASP  31   2.206   5.584  -0.976
  206    HA   ASP  31           HA       ASP  31   4.000   4.628  -3.044
  207   1HB   ASP  31          1HB       ASP  31   2.110   7.009  -2.840
  208   2HB   ASP  31          2HB       ASP  31   3.283   6.876  -4.135
  209    H    CYS  32           H        CYS  32   6.158   5.112  -2.589
  210    HA   CYS  32           HA       CYS  32   6.734   7.378  -0.894
  211   1HB   CYS  32          1HB       CYS  32   8.432   5.152  -2.022
  212   2HB   CYS  32          2HB       CYS  32   9.113   6.514  -1.154
  213    H    CYS  33           H        CYS  33   7.366   9.358  -1.709
  214    HA   CYS  33           HA       CYS  33   7.780   9.490  -4.586
  215   1HB   CYS  33          1HB       CYS  33   6.732  11.330  -2.524
  216   2HB   CYS  33          2HB       CYS  33   7.731  12.079  -3.753
  217    H    ARG  34           H        ARG  34   9.794  10.028  -5.444
  218    HA   ARG  34           HA       ARG  34  11.794  10.851  -3.498
  219   1HB   ARG  34          1HB       ARG  34  11.988   8.402  -4.266
  220   2HB   ARG  34          2HB       ARG  34  12.327   9.005  -5.876
  221   1HG   ARG  34          1HG       ARG  34  14.335  10.167  -5.099
  222   2HG   ARG  34          2HG       ARG  34  13.945   9.831  -3.423
  223   1HD   ARG  34          1HD       ARG  34  14.047   7.377  -5.072
  224   2HD   ARG  34          2HD       ARG  34  15.565   8.251  -5.078
  225    HE   ARG  34           HE       ARG  34  14.318   7.870  -2.422
  226   1HH1  ARG  34          1HH1      ARG  34  16.709   6.722  -4.770
  227   2HH1  ARG  34          2HH1      ARG  34  17.618   5.831  -3.596
  228   1HH2  ARG  34          1HH2      ARG  34  16.898   5.829  -1.310
  229    H    GLY  35           H        GLY  35  11.685  13.070  -4.132
  230   1HA   GLY  35          1HA       GLY  35  12.307  14.866  -5.338
  231   2HA   GLY  35          2HA       GLY  35  13.199  13.802  -6.408
  232    H    LYS  36           H        LYS  36  12.014  12.678  -8.179
  233    HA   LYS  36           HA       LYS  36   9.416  13.855  -8.782
  234   1HB   LYS  36          1HB       LYS  36  11.486  13.775 -10.956
  235   2HB   LYS  36          2HB       LYS  36  10.016  14.723 -10.852
  236   1HG   LYS  36          1HG       LYS  36  11.161  15.856  -8.767
  237   2HG   LYS  36          2HG       LYS  36  12.644  15.165  -9.396
  238   1HD   LYS  36          1HD       LYS  36  11.718  16.265 -11.695
  239   2HD   LYS  36          2HD       LYS  36  10.910  17.329 -10.561
  240   1HE   LYS  36          1HE       LYS  36  12.912  18.225  -9.746
  241   2HE   LYS  36          2HE       LYS  36  13.830  16.769 -10.078
  242   1HZ   LYS  36          1HZ       LYS  36  14.532  18.094 -11.801
  243   2HZ   LYS  36          2HZ       LYS  36  13.240  17.452 -12.555
  244    H    SER  37           H        SER  37  10.573  11.207  -7.830
  245    HA   SER  37           HA       SER  37   9.440   9.660 -10.021
  246   1HB   SER  37          1HB       SER  37  12.055   9.292  -8.594
  247   2HB   SER  37          2HB       SER  37  11.151   7.837  -8.967
  248    HG   SER  37           HG       SER  37  12.560   9.533 -10.665
  249    H    ARG  38           H        ARG  38   7.618   8.619  -9.310
  250    HA   ARG  38           HA       ARG  38   7.331   8.311  -6.459
  251   1HB   ARG  38          1HB       ARG  38   4.935   7.823  -7.005
  252   2HB   ARG  38          2HB       ARG  38   5.458   9.353  -7.681
  253   1HG   ARG  38          1HG       ARG  38   4.718   8.602  -9.692
  254   2HG   ARG  38          2HG       ARG  38   6.093   7.516  -9.705
  255   1HD   ARG  38          1HD       ARG  38   3.831   6.384 -10.048
  256   2HD   ARG  38          2HD       ARG  38   4.805   5.702  -8.761
  257    HE   ARG  38           HE       ARG  38   3.279   6.533  -7.161
  258   1HH1  ARG  38          1HH1      ARG  38   2.524   7.867 -10.356
  259   2HH1  ARG  38          2HH1      ARG  38   0.995   8.513  -9.862
  260   1HH2  ARG  38          1HH2      ARG  38   0.272   8.217  -7.596
  261    H    LEU  39           H        LEU  39   6.722   6.233  -5.491
  262    HA   LEU  39           HA       LEU  39   6.854   3.908  -7.211
  263   1HB   LEU  39          1HB       LEU  39   9.211   4.537  -6.550
  264   2HB   LEU  39          2HB       LEU  39   8.765   4.180  -4.894
  265    HG   LEU  39           HG       LEU  39   8.373   1.862  -5.411
  266   1HD1  LEU  39          1HD1      LEU  39   7.354   1.809  -7.506
  267   2HD1  LEU  39          2HD1      LEU  39   8.658   2.744  -8.276
  268   3HD1  LEU  39          3HD1      LEU  39   8.942   1.055  -7.791
  269   1HD2  LEU  39          1HD2      LEU  39  10.669   1.240  -6.359
  270   2HD2  LEU  39          2HD2      LEU  39  10.967   2.992  -6.454
  271   3HD2  LEU  39          3HD2      LEU  39  10.625   2.232  -4.881
  272    H    THR  40           H        THR  40   5.788   2.095  -6.315
  273    HA   THR  40           HA       THR  40   4.452   2.658  -3.748
  274    HB   THR  40           HB       THR  40   3.389   1.264  -6.262
  275    HG1  THR  40           1HG      THR  40   2.405   3.279  -6.523
  276   1HG2  THR  40          1HG2      THR  40   2.436   1.404  -3.448
  277   2HG2  THR  40          2HG2      THR  40   1.250   1.997  -4.635
  278   3HG2  THR  40          3HG2      THR  40   1.893   0.343  -4.771
  279    H    LEU  41           H        LEU  41   5.064   1.356  -2.150
  280    HA   LEU  41           HA       LEU  41   5.544  -1.439  -2.810
  281   1HB   LEU  41          1HB       LEU  41   7.505  -0.071  -1.019
  282   2HB   LEU  41          2HB       LEU  41   7.663  -1.565  -1.923
  283    HG   LEU  41           HG       LEU  41   7.407   0.996  -3.454
  284   1HD1  LEU  41          1HD1      LEU  41   9.978   1.118  -3.329
  285   2HD1  LEU  41          2HD1      LEU  41   9.030   1.767  -1.969
  286   3HD1  LEU  41          3HD1      LEU  41   9.807   0.172  -1.831
  287   1HD2  LEU  41          1HD2      LEU  41   9.073  -0.240  -4.914
  288   2HD2  LEU  41          2HD2      LEU  41   8.794  -1.656  -3.871
  289   3HD2  LEU  41          3HD2      LEU  41   7.444  -0.949  -4.792
  290    H    CYS  42           H        CYS  42   5.950  -2.639  -0.544
  291    HA   CYS  42           HA       CYS  42   3.852  -1.588   1.204
  292   1HB   CYS  42          1HB       CYS  42   4.776  -4.438   1.266
  293   2HB   CYS  42          2HB       CYS  42   3.242  -3.755   1.765
  294    H    SER  43           H        SER  43   4.637  -0.682   3.073
  295    HA   SER  43           HA       SER  43   6.648  -2.055   4.526
  296   1HB   SER  43          1HB       SER  43   7.282   0.525   3.083
  297   2HB   SER  43          2HB       SER  43   8.030   0.212   4.636
  298    HG   SER  43           HG       SER  43   8.743  -1.898   3.703
  299    H    TYR  44           H        TYR  44   6.216  -1.742   6.699
  300    HA   TYR  44           HA       TYR  44   4.190   0.235   7.346
  301   1HB   TYR  44          1HB       TYR  44   5.640  -1.709   9.212
  302   2HB   TYR  44          2HB       TYR  44   3.979  -1.162   9.326
  303    HD1  TYR  44           1HD      TYR  44   3.609  -1.683   6.168
  304    HD2  TYR  44           2HD      TYR  44   4.873  -4.042   9.507
  305    HE1  TYR  44           1HE      TYR  44   2.836  -3.794   4.980
  306    HE2  TYR  44           2HE      TYR  44   4.095  -6.144   8.307
  307    HH   TYR  44           HH       TYR  44   3.769  -6.836   5.922
  308    H    GLY  45           H        GLY  45   4.458   1.416   9.521
  309   1HA   GLY  45          1HA       GLY  45   7.265   2.305   9.820
  310   2HA   GLY  45          2HA       GLY  45   5.914   3.420   9.769
  311    H    GLU  46           H        GLU  46   8.001   1.839  11.840
  312    HA   GLU  46           HA       GLU  46   6.676   0.717  13.825
  313   1HB   GLU  46          1HB       GLU  46   8.358   2.209  15.331
  314   2HB   GLU  46          2HB       GLU  46   8.904   0.864  14.349
  315   1HG   GLU  46          1HG       GLU  46   8.695   3.484  12.922
  316   2HG   GLU  46          2HG       GLU  46   9.924   3.408  14.170
  317    H    GLY  47           H        GLY  47   5.035   1.199  15.234
  318   1HA   GLY  47          1HA       GLY  47   4.595   3.496  16.618
  319   2HA   GLY  47          2HA       GLY  47   3.803   3.796  15.084
  320    H    GLY  48           H        GLY  48   2.468   1.713  14.259
  321   1HA   GLY  48          1HA       GLY  48   1.376  -0.051  16.148
  322   2HA   GLY  48          2HA       GLY  48   0.350   1.367  16.066
  323    H    ASN  49           H        ASN  49  -0.143   2.151  13.685
  324    HA   ASN  49           HA       ASN  49  -0.234  -0.084  11.868
  325   1HB   ASN  49          1HB       ASN  49  -2.712   1.437  12.831
  326   2HB   ASN  49          2HB       ASN  49  -2.711   0.394  11.423
  327   1HD2  ASN  49          1HD2      ASN  49  -4.130   0.253  14.012
  328   2HD2  ASN  49          2HD2      ASN  49  -3.792  -1.308  14.682
  329    H    GLY  50           H        GLY  50   1.423   1.593  11.007
  330   1HA   GLY  50          1HA       GLY  50   0.033   3.464   9.233
  331   2HA   GLY  50          2HA       GLY  50   1.230   4.117  10.333
  332    H    PHE  51           H        PHE  51   1.342   4.085   7.390
  333    HA   PHE  51           HA       PHE  51   3.464   2.142   6.898
  334   1HB   PHE  51          1HB       PHE  51   1.605   2.252   5.270
  335   2HB   PHE  51          2HB       PHE  51   1.699   4.000   5.205
  336    HD1  PHE  51           1HD      PHE  51   3.761   5.056   4.163
  337    HD2  PHE  51           2HD      PHE  51   2.870   0.924   3.796
  338    HE1  PHE  51           1HE      PHE  51   5.297   4.901   2.183
  339    HE2  PHE  51           2HE      PHE  51   4.405   0.768   1.816
  340    HZ   PHE  51           HZ       PHE  51   5.600   2.759   1.034
  341    H    GLN  52           H        GLN  52   5.521   2.788   6.042
  342    HA   GLN  52           HA       GLN  52   6.024   5.647   6.288
  343   1HB   GLN  52          1HB       GLN  52   6.938   3.770   8.110
  344   2HB   GLN  52          2HB       GLN  52   8.296   3.879   7.008
  345   1HG   GLN  52          1HG       GLN  52   7.386   6.563   7.463
  346   2HG   GLN  52          2HG       GLN  52   7.448   5.780   9.030
  347   1HE2  GLN  52          1HE2      GLN  52   9.137   7.541   9.156
  348   2HE2  GLN  52          2HE2      GLN  52  10.771   7.112   8.775
  349    H    CYS  53           H        CYS  53   8.492   5.994   5.351
  350    HA   CYS  53           HA       CYS  53   8.524   4.517   2.819
  351   1HB   CYS  53          1HB       CYS  53   8.774   7.429   3.399
  352   2HB   CYS  53          2HB       CYS  53   9.774   6.770   2.120
  353    HA   PRO  54           HA       PRO  54  12.650   3.594   3.864
  354   1HB   PRO  54          1HB       PRO  54  13.833   3.286   1.420
  355   2HB   PRO  54          2HB       PRO  54  12.836   2.052   2.165
  356   1HG   PRO  54          1HG       PRO  54  12.174   3.871  -0.069
  357   2HG   PRO  54          2HG       PRO  54  11.384   2.380   0.403
  358   1HD   PRO  54          1HD       PRO  54  10.447   5.047   0.889
  359   2HD   PRO  54          2HD       PRO  54   9.718   3.559   1.461
  360    H    THR  55           H        THR  55  15.008   4.167   3.711
  361    HA   THR  55           HA       THR  55  15.189   6.956   4.068
  362    HB   THR  55           HB       THR  55  17.351   4.827   3.632
  363    HG1  THR  55           1HG      THR  55  15.987   5.980   5.965
  364   1HG2  THR  55          1HG2      THR  55  17.358   7.544   5.048
  365   2HG2  THR  55          2HG2      THR  55  18.662   6.339   5.172
  366   3HG2  THR  55          3HG2      THR  55  18.309   7.112   3.608
  367    H    GLY  56           H        GLY  56  15.561   8.618   2.724
  368   1HA   GLY  56          1HA       GLY  56  16.571   9.612   0.871
  369   2HA   GLY  56          2HA       GLY  56  16.716   8.050   0.089
  370    H    TYR  57           H        TYR  57  13.678   7.898   1.384
  371    HA   TYR  57           HA       TYR  57  12.480   9.090  -1.026
  372   1HB   TYR  57          1HB       TYR  57  12.020   6.597   0.691
  373   2HB   TYR  57          2HB       TYR  57  10.683   7.237  -0.245
  374    HD1  TYR  57           1HD      TYR  57  10.756   7.212  -2.724
  375    HD2  TYR  57           2HD      TYR  57  13.866   5.447  -0.376
  376    HE1  TYR  57           1HE      TYR  57  11.582   5.937  -4.763
  377    HE2  TYR  57           2HE      TYR  57  14.681   4.178  -2.423
  378    HH   TYR  57           HH       TYR  57  13.195   3.418  -4.779
  379    H    ARG  58           H        ARG  58   9.958   9.413  -0.603
  380    HA   ARG  58           HA       ARG  58   9.543  10.333   2.097
  381   1HB   ARG  58          1HB       ARG  58  10.417  12.211   0.408
  382   2HB   ARG  58          2HB       ARG  58   8.763  12.190  -0.171
  383   1HG   ARG  58          1HG       ARG  58   8.674  12.223   2.712
  384   2HG   ARG  58          2HG       ARG  58   9.815  13.452   2.205
  385   1HD   ARG  58          1HD       ARG  58   7.703  13.797   0.399
  386   2HD   ARG  58          2HD       ARG  58   6.873  13.377   1.884
  387    HE   ARG  58           HE       ARG  58   8.731  15.250   2.722
  388   1HH1  ARG  58          1HH1      ARG  58   6.244  15.248   0.197
  389   2HH1  ARG  58          2HH1      ARG  58   5.983  16.958   0.280
  390   1HH2  ARG  58          1HH2      ARG  58   7.253  18.266   1.836
  391    H    GLN  59           H        GLN  59   7.062  11.466   1.953
  392    HA   GLN  59           HA       GLN  59   5.501   9.259   0.971
  393   1HB   GLN  59          1HB       GLN  59   5.197  11.381   3.017
  394   2HB   GLN  59          2HB       GLN  59   3.720  11.045   2.136
  395   1HG   GLN  59          1HG       GLN  59   3.418   9.133   3.313
  396   2HG   GLN  59          2HG       GLN  59   4.957   8.514   2.748
  397   1HE2  GLN  59          1HE2      GLN  59   3.638  10.911   5.028
  398   2HE2  GLN  59          2HE2      GLN  59   4.729  10.596   6.336
  399    H    CYS  60           H        CYS  60   4.059   9.344  -0.752
  400    HA   CYS  60           HA       CYS  60   4.346  11.589  -2.493
  401   1HB   CYS  60          1HB       CYS  60   3.116   8.883  -2.642
  402   2HB   CYS  60          2HB       CYS  60   2.474  10.112  -3.714
  Start of MODEL    2
    1   1H    ASP   1          1H        ASP   1 -18.881  -4.811  -9.476
    2    HA   ASP   1           HA       ASP   1 -20.841  -3.314  -8.810
    3   1HB   ASP   1          1HB       ASP   1 -20.465  -6.269  -8.472
    4   2HB   ASP   1          2HB       ASP   1 -21.899  -5.597  -7.720
    5    H    ARG   2           H        ARG   2 -19.504  -5.673  -6.358
    6    HA   ARG   2           HA       ARG   2 -20.352  -3.776  -4.319
    7   1HB   ARG   2          1HB       ARG   2 -20.027  -6.762  -3.828
    8   2HB   ARG   2          2HB       ARG   2 -20.914  -5.603  -2.859
    9   1HG   ARG   2          1HG       ARG   2 -22.046  -5.477  -5.482
   10   2HG   ARG   2          2HG       ARG   2 -21.845  -7.179  -5.121
   11   1HD   ARG   2          1HD       ARG   2 -22.943  -6.642  -2.815
   12   2HD   ARG   2          2HD       ARG   2 -23.410  -5.110  -3.525
   13    HE   ARG   2           HE       ARG   2 -24.940  -6.229  -4.944
   14   1HH1  ARG   2          1HH1      ARG   2 -22.930  -8.581  -3.216
   15   2HH1  ARG   2          2HH1      ARG   2 -23.914  -9.935  -3.662
   16   1HH2  ARG   2          1HH2      ARG   2 -25.854  -9.579  -5.024
   17    H    CYS   3           H        CYS   3 -18.994  -3.939  -2.235
   18    HA   CYS   3           HA       CYS   3 -17.055  -3.810  -1.218
   19   1HB   CYS   3          1HB       CYS   3 -15.763  -5.666  -1.104
   20   2HB   CYS   3          2HB       CYS   3 -17.184  -6.352  -1.864
   21    H    ARG   4           H        ARG   4 -14.740  -3.061  -1.511
   22    HA   ARG   4           HA       ARG   4 -14.478  -1.861  -4.150
   23   1HB   ARG   4          1HB       ARG   4 -13.624  -0.925  -1.379
   24   2HB   ARG   4          2HB       ARG   4 -12.891  -0.242  -2.817
   25   1HG   ARG   4          1HG       ARG   4 -15.656  -0.184  -3.375
   26   2HG   ARG   4          2HG       ARG   4 -15.560   0.242  -1.677
   27   1HD   ARG   4          1HD       ARG   4 -13.483   1.750  -2.741
   28   2HD   ARG   4          2HD       ARG   4 -14.635   1.764  -4.062
   29    HE   ARG   4           HE       ARG   4 -15.850   2.325  -1.451
   30   1HH1  ARG   4          1HH1      ARG   4 -14.239   3.753  -4.266
   31   2HH1  ARG   4          2HH1      ARG   4 -14.896   5.332  -3.996
   32   1HH2  ARG   4          1HH2      ARG   4 -16.351   5.695  -2.126
   33    H    TYR   5           H        TYR   5 -13.333  -3.706  -5.050
   34    HA   TYR   5           HA       TYR   5 -11.378  -5.203  -4.033
   35   1HB   TYR   5          1HB       TYR   5 -12.130  -3.976  -6.650
   36   2HB   TYR   5          2HB       TYR   5 -10.432  -4.405  -6.594
   37    HD1  TYR   5           1HD      TYR   5 -13.558  -5.564  -7.541
   38    HD2  TYR   5           2HD      TYR   5 -10.038  -6.882  -5.497
   39    HE1  TYR   5           1HE      TYR   5 -14.143  -7.980  -8.075
   40    HE2  TYR   5           2HE      TYR   5 -10.635  -9.292  -6.037
   41    HH   TYR   5           HH       TYR   5 -13.580 -10.268  -6.905
   42    H    THR   6           H        THR   6  -9.891  -4.428  -2.549
   43    HA   THR   6           HA       THR   6  -8.184  -2.215  -3.481
   44    HB   THR   6           HB       THR   6  -7.728  -2.404  -0.790
   45    HG1  THR   6           1HG      THR   6  -9.539  -3.362   0.143
   46   1HG2  THR   6          1HG2      THR   6 -10.370  -1.168  -1.595
   47   2HG2  THR   6          2HG2      THR   6  -9.107  -0.516  -0.524
   48   3HG2  THR   6          3HG2      THR   6  -8.876  -0.493  -2.290
   49    H    LEU   7           H        LEU   7  -5.873  -2.326  -2.821
   50    HA   LEU   7           HA       LEU   7  -4.954  -5.050  -3.292
   51   1HB   LEU   7          1HB       LEU   7  -3.907  -2.316  -3.779
   52   2HB   LEU   7          2HB       LEU   7  -2.727  -3.558  -3.415
   53    HG   LEU   7           HG       LEU   7  -3.181  -3.139  -5.858
   54   1HD1  LEU   7          1HD1      LEU   7  -3.555  -5.746  -6.264
   55   2HD1  LEU   7          2HD1      LEU   7  -2.034  -5.088  -5.617
   56   3HD1  LEU   7          3HD1      LEU   7  -3.237  -5.796  -4.513
   57   1HD2  LEU   7          1HD2      LEU   7  -5.877  -4.185  -5.048
   58   2HD2  LEU   7          2HD2      LEU   7  -5.456  -2.817  -6.107
   59   3HD2  LEU   7          3HD2      LEU   7  -5.250  -4.488  -6.686
   60    H    CYS   8           H        CYS   8  -4.148  -6.301  -1.692
   61    HA   CYS   8           HA       CYS   8  -3.432  -4.908   0.786
   62   1HB   CYS   8          1HB       CYS   8  -4.425  -7.752   0.558
   63   2HB   CYS   8          2HB       CYS   8  -4.133  -6.840   2.025
   64    H    CYS   9           H        CYS   9  -1.644  -6.029   2.036
   65    HA   CYS   9           HA       CYS   9   0.209  -7.273   0.142
   66   1HB   CYS   9          1HB       CYS   9   0.563  -5.324   2.358
   67   2HB   CYS   9          2HB       CYS   9   1.820  -6.528   2.159
   68    H    ASP  10           H        ASP  10   1.255  -9.233   0.783
   69    HA   ASP  10           HA       ASP  10  -0.174 -10.626   2.843
   70   1HB   ASP  10          1HB       ASP  10   1.858 -11.394   0.723
   71   2HB   ASP  10          2HB       ASP  10   1.479 -12.515   2.016
   72    H    GLY  11           H        GLY  11   2.550  -8.618   2.598
   73   1HA   GLY  11          1HA       GLY  11   3.968  -8.057   4.323
   74   2HA   GLY  11          2HA       GLY  11   3.604  -9.562   5.143
   75    H    ALA  12           H        ALA  12   4.028 -11.267   2.723
   76    HA   ALA  12           HA       ALA  12   6.786 -10.794   2.005
   77   1HB   ALA  12          1HB       ALA  12   6.062 -12.497   4.222
   78   2HB   ALA  12          2HB       ALA  12   6.728 -13.493   2.906
   79   3HB   ALA  12          3HB       ALA  12   7.677 -12.140   3.566
   80    H    LEU  13           H        LEU  13   5.682 -10.553  -0.077
   81    HA   LEU  13           HA       LEU  13   5.803 -12.802  -1.640
   82   1HB   LEU  13          1HB       LEU  13   3.246 -12.533  -0.226
   83   2HB   LEU  13          2HB       LEU  13   3.082 -12.676  -1.965
   84    HG   LEU  13           HG       LEU  13   4.934 -14.631  -0.756
   85   1HD1  LEU  13          1HD1      LEU  13   2.323 -14.206   0.437
   86   2HD1  LEU  13          2HD1      LEU  13   2.466 -15.835  -0.267
   87   3HD1  LEU  13          3HD1      LEU  13   3.651 -15.278   0.940
   88   1HD2  LEU  13          1HD2      LEU  13   3.442 -14.330  -3.120
   89   2HD2  LEU  13          2HD2      LEU  13   4.477 -15.698  -2.646
   90   3HD2  LEU  13          3HD2      LEU  13   2.737 -15.726  -2.268
   91    H    LYS  14           H        LYS  14   2.925 -10.739  -1.954
   92    HA   LYS  14           HA       LYS  14   4.141  -8.563  -3.194
   93   1HB   LYS  14          1HB       LYS  14   3.925  -8.975  -5.508
   94   2HB   LYS  14          2HB       LYS  14   4.777 -10.358  -4.854
   95   1HG   LYS  14          1HG       LYS  14   2.206 -11.253  -4.593
   96   2HG   LYS  14          2HG       LYS  14   2.001 -10.188  -5.970
   97   1HD   LYS  14          1HD       LYS  14   2.851 -11.813  -7.300
   98   2HD   LYS  14          2HD       LYS  14   4.398 -11.614  -6.501
   99   1HE   LYS  14          1HE       LYS  14   4.148 -13.527  -5.253
  100   2HE   LYS  14          2HE       LYS  14   2.456 -13.213  -4.923
  101   1HZ   LYS  14          1HZ       LYS  14   1.818 -14.359  -6.783
  102   2HZ   LYS  14          2HZ       LYS  14   3.108 -13.927  -7.676
  103    H    ALA  15           H        ALA  15   2.671  -6.981  -2.899
  104    HA   ALA  15           HA       ALA  15   0.230  -7.275  -1.839
  105   1HB   ALA  15          1HB       ALA  15   0.621  -5.174  -3.961
  106   2HB   ALA  15          2HB       ALA  15  -0.085  -5.024  -2.334
  107   3HB   ALA  15          3HB       ALA  15   1.677  -5.174  -2.528
  108    H    VAL  16           H        VAL  16  -1.649  -8.245  -2.409
  109    HA   VAL  16           HA       VAL  16  -2.157  -8.533  -5.289
  110    HB   VAL  16           HB       VAL  16  -1.443 -10.630  -4.147
  111   1HG1  VAL  16          1HG1      VAL  16  -3.861 -10.004  -2.467
  112   2HG1  VAL  16          2HG1      VAL  16  -3.380 -11.694  -2.751
  113   3HG1  VAL  16          3HG1      VAL  16  -2.248 -10.565  -1.968
  114   1HG2  VAL  16          1HG2      VAL  16  -4.329 -10.816  -5.035
  115   2HG2  VAL  16          2HG2      VAL  16  -2.999 -10.482  -6.169
  116   3HG2  VAL  16          3HG2      VAL  16  -3.023 -12.005  -5.248
  117    H    SER  17           H        SER  17  -4.376  -8.355  -5.952
  118    HA   SER  17           HA       SER  17  -5.778  -6.469  -4.434
  119   1HB   SER  17          1HB       SER  17  -7.620  -6.998  -6.195
  120   2HB   SER  17          2HB       SER  17  -6.110  -6.312  -6.759
  121    HG   SER  17           HG       SER  17  -5.491  -8.241  -7.642
  122    H    ALA  18           H        ALA  18  -7.943  -6.701  -3.459
  123    HA   ALA  18           HA       ALA  18  -8.880  -9.403  -3.018
  124   1HB   ALA  18          1HB       ALA  18  -7.588  -9.517  -1.127
  125   2HB   ALA  18          2HB       ALA  18  -7.466  -7.748  -0.972
  126   3HB   ALA  18          3HB       ALA  18  -8.943  -8.589  -0.443
  127    H    CYS  19           H        CYS  19 -11.100  -9.451  -2.361
  128    HA   CYS  19           HA       CYS  19 -12.428  -6.933  -2.922
  129   1HB   CYS  19          1HB       CYS  19 -13.195  -8.791  -4.215
  130   2HB   CYS  19          2HB       CYS  19 -13.408  -9.785  -2.788
  131    H    LEU  20           H        LEU  20 -11.852  -5.919  -0.845
  132    HA   LEU  20           HA       LEU  20 -13.231  -7.146   1.439
  133   1HB   LEU  20          1HB       LEU  20 -10.622  -5.911   1.103
  134   2HB   LEU  20          2HB       LEU  20 -11.541  -5.144   2.383
  135    HG   LEU  20           HG       LEU  20 -11.899  -7.403   3.412
  136   1HD1  LEU  20          1HD1      LEU  20  -9.858  -8.320   1.367
  137   2HD1  LEU  20          2HD1      LEU  20 -10.531  -9.283   2.705
  138   3HD1  LEU  20          3HD1      LEU  20 -11.586  -8.747   1.375
  139   1HD2  LEU  20          1HD2      LEU  20  -9.044  -7.438   3.517
  140   2HD2  LEU  20          2HD2      LEU  20  -9.590  -5.747   3.421
  141   3HD2  LEU  20          3HD2      LEU  20 -10.205  -6.809   4.710
  142    H    HIS  21           H        HIS  21 -14.354  -5.645   2.927
  143    HA   HIS  21           HA       HIS  21 -15.474  -3.428   1.384
  144   1HB   HIS  21          1HB       HIS  21 -16.651  -4.929   3.741
  145   2HB   HIS  21          2HB       HIS  21 -17.431  -3.633   2.857
  146    HD1  HIS  21           1HD      HIS  21 -16.666  -7.287   2.696
  147    HD2  HIS  21           2HD      HIS  21 -18.334  -4.335   0.226
  148    HE1  HIS  21           1HE      HIS  21 -17.821  -8.522   0.785
  149    H    GLU  22           H        GLU  22 -16.497  -1.744   3.195
  150    HA   GLU  22           HA       GLU  22 -14.210  -0.516   4.219
  151   1HB   GLU  22          1HB       GLU  22 -17.122   0.025   4.102
  152   2HB   GLU  22          2HB       GLU  22 -16.334   0.728   5.500
  153   1HG   GLU  22          1HG       GLU  22 -14.834   2.021   4.165
  154   2HG   GLU  22          2HG       GLU  22 -15.107   1.038   2.740
  155    H    SER  23           H        SER  23 -16.522  -2.841   5.527
  156    HA   SER  23           HA       SER  23 -15.864  -2.271   8.231
  157   1HB   SER  23          1HB       SER  23 -17.812  -3.845   6.798
  158   2HB   SER  23          2HB       SER  23 -17.005  -4.896   7.945
  159    HG   SER  23           HG       SER  23 -17.416  -2.865   9.450
  160    H    GLU  24           H        GLU  24 -14.062  -3.532   5.764
  161    HA   GLU  24           HA       GLU  24 -12.631  -5.263   7.620
  162   1HB   GLU  24          1HB       GLU  24 -13.993  -6.393   5.646
  163   2HB   GLU  24          2HB       GLU  24 -12.651  -5.854   4.655
  164   1HG   GLU  24          1HG       GLU  24 -11.943  -8.000   5.318
  165   2HG   GLU  24          2HG       GLU  24 -11.127  -6.971   6.478
  166    H    SER  25           H        SER  25 -10.283  -5.327   7.299
  167    HA   SER  25           HA       SER  25  -9.234  -3.464   5.383
  168   1HB   SER  25          1HB       SER  25  -8.099  -2.048   6.947
  169   2HB   SER  25          2HB       SER  25  -9.761  -2.137   7.496
  170    HG   SER  25           HG       SER  25  -9.009  -2.858   9.357
  171    H    CYS  26           H        CYS  26  -7.161  -4.089   4.696
  172    HA   CYS  26           HA       CYS  26  -5.960  -6.279   6.230
  173   1HB   CYS  26          1HB       CYS  26  -5.037  -6.826   3.788
  174   2HB   CYS  26          2HB       CYS  26  -6.510  -7.516   4.440
  175    H    LEU  27           H        LEU  27  -3.487  -6.476   5.405
  176    HA   LEU  27           HA       LEU  27  -2.269  -4.041   6.101
  177   1HB   LEU  27          1HB       LEU  27  -1.523  -6.558   6.288
  178   2HB   LEU  27          2HB       LEU  27  -0.800  -6.249   4.721
  179    HG   LEU  27           HG       LEU  27   0.353  -4.235   5.826
  180   1HD1  LEU  27          1HD1      LEU  27   0.000  -3.765   7.964
  181   2HD1  LEU  27          2HD1      LEU  27  -1.247  -5.035   8.006
  182   3HD1  LEU  27          3HD1      LEU  27   0.434  -5.423   8.445
  183   1HD2  LEU  27          1HD2      LEU  27   1.551  -6.233   5.145
  184   2HD2  LEU  27          2HD2      LEU  27   2.171  -5.642   6.706
  185   3HD2  LEU  27          3HD2      LEU  27   1.089  -7.055   6.656
  186    H    VAL  28           H        VAL  28  -3.348  -2.575   4.553
  187    HA   VAL  28           HA       VAL  28  -2.932  -2.859   1.786
  188    HB   VAL  28           HB       VAL  28  -4.653  -1.484   3.107
  189   1HG1  VAL  28          1HG1      VAL  28  -4.144   0.599   3.927
  190   2HG1  VAL  28          2HG1      VAL  28  -2.602  -0.233   4.243
  191   3HG1  VAL  28          3HG1      VAL  28  -2.768   0.823   2.820
  192   1HG2  VAL  28          1HG2      VAL  28  -3.344  -0.006   0.815
  193   2HG2  VAL  28          2HG2      VAL  28  -4.233  -1.529   0.582
  194   3HG2  VAL  28          3HG2      VAL  28  -5.070  -0.101   1.237
  195    HA   PRO  29           HA       PRO  29   1.162  -1.489   1.486
  196   1HB   PRO  29          1HB       PRO  29   1.284  -0.942  -1.190
  197   2HB   PRO  29          2HB       PRO  29   1.439  -2.559  -0.533
  198   1HG   PRO  29          1HG       PRO  29  -0.863  -1.338  -1.928
  199   2HG   PRO  29          2HG       PRO  29  -0.522  -3.034  -1.649
  200   1HD   PRO  29          1HD       PRO  29  -2.420  -1.412  -0.239
  201   2HD   PRO  29          2HD       PRO  29  -1.996  -3.075   0.115
  202    H    GLY  30           H        GLY  30   2.398   0.387  -0.036
  203   1HA   GLY  30          1HA       GLY  30   0.884   2.856   0.390
  204   2HA   GLY  30          2HA       GLY  30   2.373   2.652   1.291
  205    H    ASP  31           H        ASP  31   1.619   4.580  -0.926
  206    HA   ASP  31           HA       ASP  31   3.537   3.707  -2.928
  207   1HB   ASP  31          1HB       ASP  31   1.746   6.153  -3.127
  208   2HB   ASP  31          2HB       ASP  31   2.497   5.260  -4.434
  209    H    CYS  32           H        CYS  32   5.590   4.434  -2.281
  210    HA   CYS  32           HA       CYS  32   5.792   6.938  -0.865
  211   1HB   CYS  32          1HB       CYS  32   7.650   4.669  -1.462
  212   2HB   CYS  32          2HB       CYS  32   8.326   6.234  -1.057
  213    H    CYS  33           H        CYS  33   5.835   8.805  -2.072
  214    HA   CYS  33           HA       CYS  33   7.198   8.648  -4.662
  215   1HB   CYS  33          1HB       CYS  33   5.725  10.375  -5.489
  216   2HB   CYS  33          2HB       CYS  33   4.809   8.982  -4.951
  217    H    ARG  34           H        ARG  34   8.665  10.384  -5.139
  218    HA   ARG  34           HA       ARG  34   8.853  12.552  -3.326
  219   1HB   ARG  34          1HB       ARG  34  10.102  10.729  -2.100
  220   2HB   ARG  34          2HB       ARG  34  11.178  10.565  -3.473
  221   1HG   ARG  34          1HG       ARG  34  10.803  13.286  -2.194
  222   2HG   ARG  34          2HG       ARG  34  11.859  12.114  -1.430
  223   1HD   ARG  34          1HD       ARG  34  13.505  12.486  -2.957
  224   2HD   ARG  34          2HD       ARG  34  12.409  12.211  -4.296
  225    HE   ARG  34           HE       ARG  34  11.997  14.538  -4.447
  226   1HH1  ARG  34          1HH1      ARG  34  13.919  13.815  -1.559
  227   2HH1  ARG  34          2HH1      ARG  34  14.323  15.473  -1.262
  228   1HH2  ARG  34          1HH2      ARG  34  13.495  17.167  -2.740
  229    H    GLY  35           H        GLY  35   9.589  14.320  -4.500
  230   1HA   GLY  35          1HA       GLY  35  10.580  15.522  -6.125
  231   2HA   GLY  35          2HA       GLY  35  11.648  14.168  -6.436
  232    H    LYS  36           H        LYS  36  11.041  12.514  -7.984
  233    HA   LYS  36           HA       LYS  36   8.582  12.942  -9.448
  234   1HB   LYS  36          1HB       LYS  36   9.582  13.323 -11.569
  235   2HB   LYS  36          2HB       LYS  36  10.266  14.500 -10.467
  236   1HG   LYS  36          1HG       LYS  36  12.374  13.535 -10.511
  237   2HG   LYS  36          2HG       LYS  36  11.749  11.907 -10.675
  238   1HD   LYS  36          1HD       LYS  36  10.951  13.135 -13.069
  239   2HD   LYS  36          2HD       LYS  36  12.531  13.832 -12.773
  240   1HE   LYS  36          1HE       LYS  36  13.590  11.887 -13.300
  241   2HE   LYS  36          2HE       LYS  36  12.569  10.956 -12.221
  242   1HZ   LYS  36          1HZ       LYS  36  11.615  10.155 -14.079
  243   2HZ   LYS  36          2HZ       LYS  36  10.938  11.613 -14.341
  244    H    SER  37           H        SER  37   9.735  10.918  -7.607
  245    HA   SER  37           HA       SER  37   9.602   8.714  -9.494
  246   1HB   SER  37          1HB       SER  37  11.599   9.008  -7.209
  247   2HB   SER  37          2HB       SER  37  11.306   7.497  -8.046
  248    HG   SER  37           HG       SER  37  13.150   8.776  -8.874
  249    H    ARG  38           H        ARG  38   7.956   7.337  -8.922
  250    HA   ARG  38           HA       ARG  38   7.199   7.378  -6.110
  251   1HB   ARG  38          1HB       ARG  38   4.857   6.848  -6.914
  252   2HB   ARG  38          2HB       ARG  38   5.429   8.421  -7.432
  253   1HG   ARG  38          1HG       ARG  38   5.788   7.704  -9.670
  254   2HG   ARG  38          2HG       ARG  38   5.853   6.011  -9.222
  255   1HD   ARG  38          1HD       ARG  38   3.304   7.627  -8.825
  256   2HD   ARG  38          2HD       ARG  38   3.678   6.909 -10.380
  257    HE   ARG  38           HE       ARG  38   3.948   4.984  -8.211
  258   1HH1  ARG  38          1HH1      ARG  38   1.592   6.541 -10.350
  259   2HH1  ARG  38          2HH1      ARG  38   0.441   5.253 -10.225
  260   1HH2  ARG  38          1HH2      ARG  38   0.955   3.348  -8.865
  261    H    LEU  39           H        LEU  39   6.510   5.314  -5.182
  262    HA   LEU  39           HA       LEU  39   6.697   2.974  -6.860
  263   1HB   LEU  39          1HB       LEU  39   8.867   2.692  -6.470
  264   2HB   LEU  39          2HB       LEU  39   8.895   3.860  -5.164
  265    HG   LEU  39           HG       LEU  39   7.602   1.259  -4.544
  266   1HD1  LEU  39          1HD1      LEU  39   9.704   0.078  -4.228
  267   2HD1  LEU  39          2HD1      LEU  39   9.497   0.538  -5.935
  268   3HD1  LEU  39          3HD1      LEU  39  10.607   1.460  -4.893
  269   1HD2  LEU  39          1HD2      LEU  39   9.691   2.805  -2.999
  270   2HD2  LEU  39          2HD2      LEU  39   7.953   3.187  -2.941
  271   3HD2  LEU  39          3HD2      LEU  39   8.534   1.596  -2.394
  272    H    THR  40           H        THR  40   5.273   1.430  -6.171
  273    HA   THR  40           HA       THR  40   4.061   1.912  -3.529
  274    HB   THR  40           HB       THR  40   2.819   0.554  -5.973
  275    HG1  THR  40           1HG      THR  40   2.466   2.643  -6.640
  276   1HG2  THR  40          1HG2      THR  40   1.829   1.614  -3.303
  277   2HG2  THR  40          2HG2      THR  40   0.749   1.646  -4.718
  278   3HG2  THR  40          3HG2      THR  40   1.397   0.097  -4.127
  279    H    LEU  41           H        LEU  41   4.819   0.557  -2.030
  280    HA   LEU  41           HA       LEU  41   4.728  -2.263  -2.622
  281   1HB   LEU  41          1HB       LEU  41   6.887  -2.721  -2.742
  282   2HB   LEU  41          2HB       LEU  41   7.102  -1.020  -3.106
  283    HG   LEU  41           HG       LEU  41   7.080  -1.156  -0.299
  284   1HD1  LEU  41          1HD1      LEU  41   7.440  -3.694  -0.855
  285   2HD1  LEU  41          2HD1      LEU  41   9.108  -3.172  -1.195
  286   3HD1  LEU  41          3HD1      LEU  41   8.400  -2.896   0.414
  287   1HD2  LEU  41          1HD2      LEU  41   9.753  -1.018  -1.069
  288   2HD2  LEU  41          2HD2      LEU  41   8.853  -0.373  -2.463
  289   3HD2  LEU  41          3HD2      LEU  41   8.627   0.343  -0.849
  290    H    CYS  42           H        CYS  42   5.591  -3.432  -0.429
  291    HA   CYS  42           HA       CYS  42   3.946  -2.215   1.610
  292   1HB   CYS  42          1HB       CYS  42   5.369  -4.797   2.050
  293   2HB   CYS  42          2HB       CYS  42   3.778  -4.285   2.575
  294    H    SER  43           H        SER  43   4.877  -0.846   3.088
  295    HA   SER  43           HA       SER  43   7.485  -1.551   4.085
  296   1HB   SER  43          1HB       SER  43   6.856   1.002   2.588
  297   2HB   SER  43          2HB       SER  43   8.050   1.029   3.869
  298    HG   SER  43           HG       SER  43   8.321  -1.088   2.014
  299    H    TYR  44           H        TYR  44   6.771  -1.869   6.196
  300    HA   TYR  44           HA       TYR  44   4.989   0.139   7.343
  301   1HB   TYR  44          1HB       TYR  44   6.084  -2.302   8.778
  302   2HB   TYR  44          2HB       TYR  44   4.457  -1.654   8.834
  303    HD1  TYR  44           1HD      TYR  44   6.280  -4.392   7.812
  304    HD2  TYR  44           2HD      TYR  44   3.284  -1.720   6.332
  305    HE1  TYR  44           1HE      TYR  44   5.514  -6.159   6.152
  306    HE2  TYR  44           2HE      TYR  44   2.529  -3.496   4.677
  307    HH   TYR  44           HH       TYR  44   4.265  -5.940   3.740
  308    H    GLY  45           H        GLY  45   5.443   0.836   9.644
  309   1HA   GLY  45          1HA       GLY  45   7.586   0.672  11.159
  310   2HA   GLY  45          2HA       GLY  45   8.258   1.606   9.837
  311    H    GLU  46           H        GLU  46   7.857   2.457  12.642
  312    HA   GLU  46           HA       GLU  46   7.181   4.179  13.777
  313   1HB   GLU  46          1HB       GLU  46   6.489   5.435  11.084
  314   2HB   GLU  46          2HB       GLU  46   6.701   6.305  12.591
  315   1HG   GLU  46          1HG       GLU  46   8.946   4.501  11.705
  316   2HG   GLU  46          2HG       GLU  46   8.714   5.994  10.817
  317    H    GLY  47           H        GLY  47   5.273   5.226  14.719
  318   1HA   GLY  47          1HA       GLY  47   3.038   5.564  15.022
  319   2HA   GLY  47          2HA       GLY  47   2.694   4.756  13.505
  320    H    GLY  48           H        GLY  48   3.861   2.244  13.784
  321   1HA   GLY  48          1HA       GLY  48   3.924   0.662  15.803
  322   2HA   GLY  48          2HA       GLY  48   2.238   1.111  15.966
  323    H    ASN  49           H        ASN  49   1.105   1.125  13.540
  324    HA   ASN  49           HA       ASN  49   2.034  -1.177  12.085
  325   1HB   ASN  49          1HB       ASN  49  -0.376  -2.110  12.106
  326   2HB   ASN  49          2HB       ASN  49   0.526  -2.301  13.597
  327   1HD2  ASN  49          1HD2      ASN  49   0.025  -1.104  15.401
  328   2HD2  ASN  49          2HD2      ASN  49  -1.443  -0.201  15.577
  329    H    GLY  50           H        GLY  50   2.277   0.058  10.167
  330   1HA   GLY  50          1HA       GLY  50  -0.035   0.751   8.695
  331   2HA   GLY  50          2HA       GLY  50   0.679   2.197   9.378
  332    H    PHE  51           H        PHE  51   1.659   3.178   7.625
  333    HA   PHE  51           HA       PHE  51   3.665   1.544   6.241
  334   1HB   PHE  51          1HB       PHE  51   1.502   2.172   4.951
  335   2HB   PHE  51          2HB       PHE  51   1.949   3.854   5.154
  336    HD1  PHE  51           1HD      PHE  51   3.376   0.662   3.843
  337    HD2  PHE  51           2HD      PHE  51   3.149   4.883   3.470
  338    HE1  PHE  51           1HE      PHE  51   4.747   0.551   1.744
  339    HE2  PHE  51           2HE      PHE  51   4.521   4.771   1.371
  340    HZ   PHE  51           HZ       PHE  51   5.303   2.607   0.533
  341    H    GLN  52           H        GLN  52   5.589   2.683   5.532
  342    HA   GLN  52           HA       GLN  52   5.838   5.379   6.546
  343   1HB   GLN  52          1HB       GLN  52   6.895   3.133   7.935
  344   2HB   GLN  52          2HB       GLN  52   8.268   3.894   7.157
  345   1HG   GLN  52          1HG       GLN  52   6.225   5.518   8.726
  346   2HG   GLN  52          2HG       GLN  52   7.592   4.757   9.515
  347   1HE2  GLN  52          1HE2      GLN  52   9.741   5.281   8.792
  348   2HE2  GLN  52          2HE2      GLN  52  10.095   6.848   8.144
  349    H    CYS  53           H        CYS  53   7.597   6.591   5.527
  350    HA   CYS  53           HA       CYS  53   8.522   5.265   3.082
  351   1HB   CYS  53          1HB       CYS  53   7.586   8.068   3.600
  352   2HB   CYS  53          2HB       CYS  53   8.739   7.757   2.317
  353    HA   PRO  54           HA       PRO  54  12.414   6.001   4.983
  354   1HB   PRO  54          1HB       PRO  54  13.984   4.819   3.083
  355   2HB   PRO  54          2HB       PRO  54  13.204   3.925   4.373
  356   1HG   PRO  54          1HG       PRO  54  12.472   4.069   1.512
  357   2HG   PRO  54          2HG       PRO  54  11.991   2.885   2.710
  358   1HD   PRO  54          1HD       PRO  54  10.398   5.042   1.693
  359   2HD   PRO  54          2HD       PRO  54   9.960   3.928   2.972
  360    H    THR  55           H        THR  55  14.785   6.680   4.040
  361    HA   THR  55           HA       THR  55  14.384   9.363   3.332
  362    HB   THR  55           HB       THR  55  16.775   7.460   3.318
  363    HG1  THR  55           1HG      THR  55  15.678   9.670   4.904
  364   1HG2  THR  55          1HG2      THR  55  17.950   9.072   2.192
  365   2HG2  THR  55          2HG2      THR  55  16.551  10.172   2.194
  366   3HG2  THR  55          3HG2      THR  55  17.656  10.135   3.588
  367    H    GLY  56           H        GLY  56  14.302  10.476   1.442
  368   1HA   GLY  56          1HA       GLY  56  14.537  10.820  -0.813
  369   2HA   GLY  56          2HA       GLY  56  15.012   9.148  -1.041
  370    H    TYR  57           H        TYR  57  12.317   9.062   0.971
  371    HA   TYR  57           HA       TYR  57  10.472   8.966  -1.318
  372   1HB   TYR  57          1HB       TYR  57  11.059   7.089   1.035
  373   2HB   TYR  57          2HB       TYR  57   9.482   7.047   0.270
  374    HD1  TYR  57           1HD      TYR  57  12.659   5.588   0.281
  375    HD2  TYR  57           2HD      TYR  57   9.594   6.862  -2.420
  376    HE1  TYR  57           1HE      TYR  57  13.553   4.001  -1.493
  377    HE2  TYR  57           2HE      TYR  57  10.499   5.271  -4.185
  378    HH   TYR  57           HH       TYR  57  11.893   3.663  -4.609
  379    H    ARG  58           H        ARG  58   8.327   9.642  -0.919
  380    HA   ARG  58           HA       ARG  58   7.808  10.549   1.778
  381   1HB   ARG  58          1HB       ARG  58   7.966  12.242  -0.702
  382   2HB   ARG  58          2HB       ARG  58   6.643  12.595   0.392
  383   1HG   ARG  58          1HG       ARG  58   8.231  12.881   2.274
  384   2HG   ARG  58          2HG       ARG  58   9.573  12.429   1.242
  385   1HD   ARG  58          1HD       ARG  58   9.783  14.681   0.879
  386   2HD   ARG  58          2HD       ARG  58   8.460  14.466  -0.248
  387    HE   ARG  58           HE       ARG  58   7.271  14.809   2.290
  388   1HH1  ARG  58          1HH1      ARG  58   9.308  16.709   0.102
  389   2HH1  ARG  58          2HH1      ARG  58   8.697  18.233   0.655
  390   1HH2  ARG  58          1HH2      ARG  58   7.026  18.272   2.372
  391    H    GLN  59           H        GLN  59   5.978   9.395   2.322
  392    HA   GLN  59           HA       GLN  59   4.383   7.980   0.808
  393   1HB   GLN  59          1HB       GLN  59   2.622   8.233   2.501
  394   2HB   GLN  59          2HB       GLN  59   4.194   8.175   3.276
  395   1HG   GLN  59          1HG       GLN  59   3.847  10.910   2.773
  396   2HG   GLN  59          2HG       GLN  59   2.228  10.381   3.184
  397   1HE2  GLN  59          1HE2      GLN  59   5.604   9.900   4.213
  398   2HE2  GLN  59          2HE2      GLN  59   5.323   9.947   5.921
  399    H    CYS  60           H        CYS  60   2.971   8.242  -0.880
  400    HA   CYS  60           HA       CYS  60   2.497  10.900  -1.808
  401   1HB   CYS  60          1HB       CYS  60   2.605   8.326  -2.945
  402   2HB   CYS  60          2HB       CYS  60   0.958   8.880  -3.183
  Start of MODEL    3
    1   1H    ASP   1          1H        ASP   1 -21.058  -9.256  -7.742
    2    HA   ASP   1           HA       ASP   1 -22.542  -7.539  -7.079
    3   1HB   ASP   1          1HB       ASP   1 -22.546 -10.218  -5.950
    4   2HB   ASP   1          2HB       ASP   1 -23.264  -9.116  -4.792
    5    H    ARG   2           H        ARG   2 -20.843  -9.003  -4.194
    6    HA   ARG   2           HA       ARG   2 -20.988  -6.363  -2.974
    7   1HB   ARG   2          1HB       ARG   2 -20.507  -8.836  -1.311
    8   2HB   ARG   2          2HB       ARG   2 -21.334  -7.356  -0.869
    9   1HG   ARG   2          1HG       ARG   2 -23.217  -7.991  -2.442
   10   2HG   ARG   2          2HG       ARG   2 -22.403  -9.512  -2.752
   11   1HD   ARG   2          1HD       ARG   2 -22.729  -8.908   0.141
   12   2HD   ARG   2          2HD       ARG   2 -24.247  -9.074  -0.717
   13    HE   ARG   2           HE       ARG   2 -22.817 -11.250  -1.623
   14   1HH1  ARG   2          1HH1      ARG   2 -23.551 -10.040   1.625
   15   2HH1  ARG   2          2HH1      ARG   2 -23.515 -11.612   2.354
   16   1HH2  ARG   2          1HH2      ARG   2 -23.051 -13.527   0.989
   17    H    CYS   3           H        CYS   3 -19.096  -5.782  -1.545
   18    HA   CYS   3           HA       CYS   3 -16.960  -5.889  -0.892
   19   1HB   CYS   3          1HB       CYS   3 -15.763  -7.765  -0.965
   20   2HB   CYS   3          2HB       CYS   3 -17.229  -8.492  -1.593
   21    H    ARG   4           H        ARG   4 -15.316  -4.517  -1.677
   22    HA   ARG   4           HA       ARG   4 -15.552  -3.922  -4.517
   23   1HB   ARG   4          1HB       ARG   4 -14.644  -2.136  -2.203
   24   2HB   ARG   4          2HB       ARG   4 -14.620  -1.647  -3.885
   25   1HG   ARG   4          1HG       ARG   4 -16.872  -1.262  -3.930
   26   2HG   ARG   4          2HG       ARG   4 -17.238  -2.754  -3.085
   27   1HD   ARG   4          1HD       ARG   4 -15.940  -0.986  -1.207
   28   2HD   ARG   4          2HD       ARG   4 -17.188  -0.067  -2.025
   29    HE   ARG   4           HE       ARG   4 -17.655  -2.030  -0.036
   30   1HH1  ARG   4          1HH1      ARG   4 -18.878  -1.224  -3.261
   31   2HH1  ARG   4          2HH1      ARG   4 -20.448  -1.894  -2.969
   32   1HH2  ARG   4          1HH2      ARG   4 -20.925  -2.883  -0.839
   33    H    TYR   5           H        TYR   5 -13.947  -5.377  -5.304
   34    HA   TYR   5           HA       TYR   5 -11.648  -6.196  -4.278
   35   1HB   TYR   5          1HB       TYR   5 -10.824  -5.812  -6.789
   36   2HB   TYR   5          2HB       TYR   5 -12.215  -6.844  -6.522
   37    HD1  TYR   5           1HD      TYR   5 -14.481  -6.087  -7.099
   38    HD2  TYR   5           2HD      TYR   5 -11.068  -3.606  -7.808
   39    HE1  TYR   5           1HE      TYR   5 -15.866  -4.608  -8.634
   40    HE2  TYR   5           2HE      TYR   5 -12.465  -2.136  -9.343
   41    HH   TYR   5           HH       TYR   5 -14.363  -2.041 -10.502
   42    H    THR   6           H        THR   6 -10.446  -4.911  -2.877
   43    HA   THR   6           HA       THR   6  -9.374  -2.424  -4.030
   44    HB   THR   6           HB       THR   6  -8.871  -2.223  -1.368
   45    HG1  THR   6           1HG      THR   6 -10.576  -3.408  -0.291
   46   1HG2  THR   6          1HG2      THR   6 -11.233  -1.531  -3.058
   47   2HG2  THR   6          2HG2      THR   6 -11.566  -1.606  -1.312
   48   3HG2  THR   6          3HG2      THR   6 -10.312  -0.506  -1.933
   49    H    LEU   7           H        LEU   7  -7.144  -1.952  -3.877
   50    HA   LEU   7           HA       LEU   7  -5.543  -4.333  -4.029
   51   1HB   LEU   7          1HB       LEU   7  -5.049  -1.402  -4.498
   52   2HB   LEU   7          2HB       LEU   7  -3.739  -2.566  -4.486
   53    HG   LEU   7           HG       LEU   7  -5.883  -3.473  -6.215
   54   1HD1  LEU   7          1HD1      LEU   7  -6.125  -1.786  -7.759
   55   2HD1  LEU   7          2HD1      LEU   7  -6.083  -0.860  -6.239
   56   3HD1  LEU   7          3HD1      LEU   7  -4.628  -0.961  -7.261
   57   1HD2  LEU   7          1HD2      LEU   7  -4.169  -4.112  -7.571
   58   2HD2  LEU   7          2HD2      LEU   7  -3.214  -2.644  -7.252
   59   3HD2  LEU   7          3HD2      LEU   7  -3.272  -3.948  -6.042
   60    H    CYS   8           H        CYS   8  -4.521  -5.269  -2.348
   61    HA   CYS   8           HA       CYS   8  -3.727  -3.516  -0.151
   62   1HB   CYS   8          1HB       CYS   8  -5.224  -6.128   0.105
   63   2HB   CYS   8          2HB       CYS   8  -4.355  -5.378   1.429
   64    H    CYS   9           H        CYS   9  -2.092  -4.833   1.317
   65    HA   CYS   9           HA       CYS   9  -0.393  -6.359  -0.515
   66   1HB   CYS   9          1HB       CYS   9   0.180  -4.364   1.615
   67   2HB   CYS   9          2HB       CYS   9   1.299  -5.705   1.463
   68    H    ASP  10           H        ASP  10   0.472  -8.376   0.242
   69    HA   ASP  10           HA       ASP  10  -1.119  -9.529   2.331
   70   1HB   ASP  10          1HB       ASP  10  -0.893 -11.016   0.527
   71   2HB   ASP  10          2HB       ASP  10   0.758 -10.527   0.194
   72    H    GLY  11           H        GLY  11   1.903  -7.924   1.936
   73   1HA   GLY  11          1HA       GLY  11   3.402  -7.394   3.586
   74   2HA   GLY  11          2HA       GLY  11   2.732  -8.638   4.623
   75    H    ALA  12           H        ALA  12   2.872 -10.638   2.266
   76    HA   ALA  12           HA       ALA  12   5.727 -10.893   1.881
   77   1HB   ALA  12          1HB       ALA  12   5.146 -13.432   2.764
   78   2HB   ALA  12          2HB       ALA  12   5.939 -12.174   3.743
   79   3HB   ALA  12          3HB       ALA  12   4.184 -12.434   3.881
   80    H    LEU  13           H        LEU  13   4.756 -10.384  -0.294
   81    HA   LEU  13           HA       LEU  13   4.626 -12.639  -1.859
   82   1HB   LEU  13          1HB       LEU  13   2.583 -13.325  -0.991
   83   2HB   LEU  13          2HB       LEU  13   1.948 -11.694  -0.898
   84    HG   LEU  13           HG       LEU  13   2.422 -12.096  -3.629
   85   1HD1  LEU  13          1HD1      LEU  13   2.340 -14.634  -2.502
   86   2HD1  LEU  13          2HD1      LEU  13   0.690 -14.378  -3.120
   87   3HD1  LEU  13          3HD1      LEU  13   2.085 -14.216  -4.213
   88   1HD2  LEU  13          1HD2      LEU  13   0.123 -11.757  -1.814
   89   2HD2  LEU  13          2HD2      LEU  13   0.536 -10.916  -3.327
   90   3HD2  LEU  13          3HD2      LEU  13  -0.256 -12.508  -3.382
   91    H    LYS  14           H        LYS  14   2.197 -10.079  -2.350
   92    HA   LYS  14           HA       LYS  14   3.816  -8.136  -3.452
   93   1HB   LYS  14          1HB       LYS  14   4.008 -10.343  -5.059
   94   2HB   LYS  14          2HB       LYS  14   2.678  -9.491  -5.818
   95   1HG   LYS  14          1HG       LYS  14   5.486  -8.440  -5.280
   96   2HG   LYS  14          2HG       LYS  14   4.715  -8.671  -6.836
   97   1HD   LYS  14          1HD       LYS  14   3.532  -6.769  -4.779
   98   2HD   LYS  14          2HD       LYS  14   4.821  -6.249  -5.846
   99   1HE   LYS  14          1HE       LYS  14   2.704  -7.654  -7.330
  100   2HE   LYS  14          2HE       LYS  14   2.062  -6.288  -6.441
  101   1HZ   LYS  14          1HZ       LYS  14   3.746  -4.876  -7.489
  102   2HZ   LYS  14          2HZ       LYS  14   4.387  -6.142  -8.287
  103    H    ALA  15           H        ALA  15   2.516  -6.415  -3.156
  104    HA   ALA  15           HA       ALA  15  -0.049  -6.384  -2.477
  105   1HB   ALA  15          1HB       ALA  15   1.787  -4.496  -3.020
  106   2HB   ALA  15          2HB       ALA  15   0.762  -4.295  -4.462
  107   3HB   ALA  15          3HB       ALA  15   0.058  -4.117  -2.837
  108    H    VAL  16           H        VAL  16  -1.990  -6.975  -3.318
  109    HA   VAL  16           HA       VAL  16  -2.326  -6.884  -6.201
  110    HB   VAL  16           HB       VAL  16  -1.420  -9.152  -5.488
  111   1HG1  VAL  16          1HG1      VAL  16  -3.229 -10.719  -4.628
  112   2HG1  VAL  16          2HG1      VAL  16  -2.561  -9.567  -3.446
  113   3HG1  VAL  16          3HG1      VAL  16  -4.152  -9.262  -4.185
  114   1HG2  VAL  16          1HG2      VAL  16  -4.096  -9.602  -6.723
  115   2HG2  VAL  16          2HG2      VAL  16  -3.010  -8.444  -7.529
  116   3HG2  VAL  16          3HG2      VAL  16  -2.480 -10.122  -7.259
  117    H    SER  17           H        SER  17  -4.798  -7.745  -6.581
  118    HA   SER  17           HA       SER  17  -6.302  -5.975  -4.898
  119   1HB   SER  17          1HB       SER  17  -7.541  -7.607  -7.110
  120   2HB   SER  17          2HB       SER  17  -7.926  -5.977  -6.593
  121    HG   SER  17           HG       SER  17  -6.531  -5.209  -8.017
  122    H    ALA  18           H        ALA  18  -7.919  -6.608  -3.430
  123    HA   ALA  18           HA       ALA  18  -8.396  -9.499  -3.232
  124   1HB   ALA  18          1HB       ALA  18  -7.288  -7.589  -1.255
  125   2HB   ALA  18          2HB       ALA  18  -8.604  -8.619  -0.643
  126   3HB   ALA  18          3HB       ALA  18  -7.143  -9.361  -1.340
  127    H    CYS  19           H        CYS  19 -10.528 -10.102  -2.700
  128    HA   CYS  19           HA       CYS  19 -12.442  -7.988  -3.155
  129   1HB   CYS  19          1HB       CYS  19 -12.841  -9.913  -4.445
  130   2HB   CYS  19          2HB       CYS  19 -12.603 -10.993  -3.085
  131    H    LEU  20           H        LEU  20 -11.991  -6.886  -1.059
  132    HA   LEU  20           HA       LEU  20 -13.033  -8.389   1.236
  133   1HB   LEU  20          1HB       LEU  20 -10.687  -6.879   0.889
  134   2HB   LEU  20          2HB       LEU  20 -11.734  -5.899   1.897
  135    HG   LEU  20           HG       LEU  20 -12.030  -8.044   3.325
  136   1HD1  LEU  20          1HD1      LEU  20  -9.575  -9.214   3.070
  137   2HD1  LEU  20          2HD1      LEU  20 -11.094  -9.860   2.404
  138   3HD1  LEU  20          3HD1      LEU  20 -10.005  -8.904   1.370
  139   1HD2  LEU  20          1HD2      LEU  20  -9.375  -6.580   3.278
  140   2HD2  LEU  20          2HD2      LEU  20 -10.868  -6.028   4.076
  141   3HD2  LEU  20          3HD2      LEU  20 -10.046  -7.500   4.647
  142    H    HIS  21           H        HIS  21 -14.424  -7.168   2.767
  143    HA   HIS  21           HA       HIS  21 -16.169  -5.416   1.230
  144   1HB   HIS  21          1HB       HIS  21 -16.730  -6.656   3.929
  145   2HB   HIS  21          2HB       HIS  21 -17.878  -5.962   2.802
  146    HD1  HIS  21           1HD      HIS  21 -17.644  -7.339   0.252
  147    HD2  HIS  21           2HD      HIS  21 -16.845  -9.370   3.835
  148    HE1  HIS  21           1HE      HIS  21 -17.893  -9.826  -0.264
  149    H    GLU  22           H        GLU  22 -17.327  -3.701   2.807
  150    HA   GLU  22           HA       GLU  22 -15.277  -1.932   3.496
  151   1HB   GLU  22          1HB       GLU  22 -18.243  -1.945   3.470
  152   2HB   GLU  22          2HB       GLU  22 -17.551  -0.891   4.687
  153   1HG   GLU  22          1HG       GLU  22 -16.060   0.104   2.870
  154   2HG   GLU  22          2HG       GLU  22 -16.943  -0.850   1.694
  155    H    SER  23           H        SER  23 -17.172  -4.336   5.289
  156    HA   SER  23           HA       SER  23 -16.482  -3.251   7.822
  157   1HB   SER  23          1HB       SER  23 -18.252  -5.277   6.783
  158   2HB   SER  23          2HB       SER  23 -17.254  -6.018   8.019
  159    HG   SER  23           HG       SER  23 -18.313  -3.463   8.647
  160    H    GLU  24           H        GLU  24 -14.584  -4.565   5.496
  161    HA   GLU  24           HA       GLU  24 -12.932  -5.930   7.477
  162   1HB   GLU  24          1HB       GLU  24 -14.052  -7.331   5.544
  163   2HB   GLU  24          2HB       GLU  24 -12.822  -6.610   4.527
  164   1HG   GLU  24          1HG       GLU  24 -11.677  -8.510   5.228
  165   2HG   GLU  24          2HG       GLU  24 -11.177  -7.391   6.480
  166    H    SER  25           H        SER  25 -10.589  -5.671   7.203
  167    HA   SER  25           HA       SER  25  -9.863  -3.571   5.340
  168   1HB   SER  25          1HB       SER  25 -10.144  -3.164   8.144
  169   2HB   SER  25          2HB       SER  25  -8.418  -3.240   7.850
  170    HG   SER  25           HG       SER  25 -10.245  -1.566   6.348
  171    H    CYS  26           H        CYS  26  -7.734  -3.792   4.511
  172    HA   CYS  26           HA       CYS  26  -6.283  -6.119   5.546
  173   1HB   CYS  26          1HB       CYS  26  -5.380  -5.993   3.022
  174   2HB   CYS  26          2HB       CYS  26  -6.722  -6.997   3.537
  175    H    LEU  27           H        LEU  27  -3.824  -5.909   4.752
  176    HA   LEU  27           HA       LEU  27  -2.889  -3.454   5.842
  177   1HB   LEU  27          1HB       LEU  27  -1.935  -5.923   5.860
  178   2HB   LEU  27          2HB       LEU  27  -1.111  -5.378   4.412
  179    HG   LEU  27           HG       LEU  27   0.455  -4.964   6.054
  180   1HD1  LEU  27          1HD1      LEU  27  -1.056  -2.338   6.032
  181   2HD1  LEU  27          2HD1      LEU  27   0.688  -2.587   6.289
  182   3HD1  LEU  27          3HD1      LEU  27  -0.035  -2.927   4.698
  183   1HD2  LEU  27          1HD2      LEU  27  -1.581  -3.766   7.938
  184   2HD2  LEU  27          2HD2      LEU  27  -1.188  -5.503   7.913
  185   3HD2  LEU  27          3HD2      LEU  27   0.078  -4.309   8.288
  186    H    VAL  28           H        VAL  28  -3.620  -1.744   4.530
  187    HA   VAL  28           HA       VAL  28  -3.378  -1.755   1.739
  188    HB   VAL  28           HB       VAL  28  -3.611   0.463   3.779
  189   1HG1  VAL  28          1HG1      VAL  28  -2.600   1.064   1.457
  190   2HG1  VAL  28          2HG1      VAL  28  -4.253   0.796   0.852
  191   3HG1  VAL  28          3HG1      VAL  28  -3.948   2.037   2.092
  192   1HG2  VAL  28          1HG2      VAL  28  -5.973   0.514   3.034
  193   2HG2  VAL  28          2HG2      VAL  28  -5.656  -0.887   1.983
  194   3HG2  VAL  28          3HG2      VAL  28  -5.518  -1.051   3.751
  195    HA   PRO  29           HA       PRO  29   0.842  -0.919   1.275
  196   1HB   PRO  29          1HB       PRO  29   0.880  -0.049  -1.315
  197   2HB   PRO  29          2HB       PRO  29   0.835  -1.744  -0.874
  198   1HG   PRO  29          1HG       PRO  29  -1.344  -0.043  -1.924
  199   2HG   PRO  29          2HG       PRO  29  -1.240  -1.793  -1.880
  200   1HD   PRO  29          1HD       PRO  29  -2.789  -0.123  -0.138
  201   2HD   PRO  29          2HD       PRO  29  -2.593  -1.860  -0.023
  202    H    GLY  30           H        GLY  30   2.271   0.939  -0.057
  203   1HA   GLY  30          1HA       GLY  30   1.154   3.527   0.725
  204   2HA   GLY  30          2HA       GLY  30   2.614   3.001   1.540
  205    H    ASP  31           H        ASP  31   2.107   5.271  -0.411
  206    HA   ASP  31           HA       ASP  31   3.814   4.381  -2.584
  207   1HB   ASP  31          1HB       ASP  31   2.172   6.933  -2.235
  208   2HB   ASP  31          2HB       ASP  31   3.136   6.563  -3.651
  209    H    CYS  32           H        CYS  32   5.963   5.099  -2.616
  210    HA   CYS  32           HA       CYS  32   6.686   7.067  -0.589
  211   1HB   CYS  32          1HB       CYS  32   8.277   4.959  -2.047
  212   2HB   CYS  32          2HB       CYS  32   9.040   6.239  -1.124
  213    H    CYS  33           H        CYS  33   7.197   9.131  -1.256
  214    HA   CYS  33           HA       CYS  33   7.440   9.545  -4.124
  215   1HB   CYS  33          1HB       CYS  33   6.350  11.058  -1.896
  216   2HB   CYS  33          2HB       CYS  33   7.465  12.027  -2.841
  217    H    ARG  34           H        ARG  34   9.396  10.164  -5.052
  218    HA   ARG  34           HA       ARG  34  11.491  10.922  -3.188
  219   1HB   ARG  34          1HB       ARG  34  11.682   8.485  -3.973
  220   2HB   ARG  34          2HB       ARG  34  11.920   9.094  -5.600
  221   1HG   ARG  34          1HG       ARG  34  13.963  10.252  -4.962
  222   2HG   ARG  34          2HG       ARG  34  13.663   9.974  -3.257
  223   1HD   ARG  34          1HD       ARG  34  13.689   7.462  -4.820
  224   2HD   ARG  34          2HD       ARG  34  15.199   8.342  -4.945
  225    HE   ARG  34           HE       ARG  34  14.104   8.048  -2.210
  226   1HH1  ARG  34          1HH1      ARG  34  16.382   6.849  -4.644
  227   2HH1  ARG  34          2HH1      ARG  34  17.366   6.012  -3.490
  228   1HH2  ARG  34          1HH2      ARG  34  16.771   6.081  -1.170
  229    H    GLY  35           H        GLY  35  11.374  13.142  -3.788
  230   1HA   GLY  35          1HA       GLY  35  11.924  14.952  -5.009
  231   2HA   GLY  35          2HA       GLY  35  12.749  13.899  -6.141
  232    H    LYS  36           H        LYS  36  11.521  12.878  -7.905
  233    HA   LYS  36           HA       LYS  36   8.870  14.031  -8.322
  234   1HB   LYS  36          1HB       LYS  36   9.381  14.792 -10.523
  235   2HB   LYS  36          2HB       LYS  36  10.565  15.490  -9.436
  236   1HG   LYS  36          1HG       LYS  36  12.288  13.991 -10.150
  237   2HG   LYS  36          2HG       LYS  36  11.145  12.872 -10.865
  238   1HD   LYS  36          1HD       LYS  36  11.899  13.947 -12.788
  239   2HD   LYS  36          2HD       LYS  36  10.517  14.956 -12.408
  240   1HE   LYS  36          1HE       LYS  36  12.822  15.917 -10.919
  241   2HE   LYS  36          2HE       LYS  36  13.267  15.745 -12.606
  242   1HZ   LYS  36          1HZ       LYS  36  11.404  17.602 -11.415
  243   2HZ   LYS  36          2HZ       LYS  36  12.236  17.737 -12.808
  244    H    SER  37           H        SER  37  10.081  11.366  -7.492
  245    HA   SER  37           HA       SER  37   8.873   9.863  -9.676
  246   1HB   SER  37          1HB       SER  37  11.508   9.467  -8.302
  247   2HB   SER  37          2HB       SER  37  10.591   8.017  -8.660
  248    HG   SER  37           HG       SER  37  10.820   9.936 -10.747
  249    H    ARG  38           H        ARG  38   7.124   8.679  -8.987
  250    HA   ARG  38           HA       ARG  38   6.821   8.410  -6.129
  251   1HB   ARG  38          1HB       ARG  38   4.438   7.635  -6.877
  252   2HB   ARG  38          2HB       ARG  38   4.849   9.324  -7.092
  253   1HG   ARG  38          1HG       ARG  38   4.910   9.169  -9.398
  254   2HG   ARG  38          2HG       ARG  38   5.571   7.546  -9.382
  255   1HD   ARG  38          1HD       ARG  38   2.665   8.314  -8.830
  256   2HD   ARG  38          2HD       ARG  38   3.267   7.498 -10.258
  257    HE   ARG  38           HE       ARG  38   4.023   6.007  -7.913
  258   1HH1  ARG  38          1HH1      ARG  38   1.187   6.747  -9.904
  259   2HH1  ARG  38          2HH1      ARG  38   0.363   5.279  -9.495
  260   1HH2  ARG  38          1HH2      ARG  38   1.410   3.720  -8.008
  261    H    LEU  39           H        LEU  39   6.318   6.331  -5.136
  262    HA   LEU  39           HA       LEU  39   6.658   4.009  -6.873
  263   1HB   LEU  39          1HB       LEU  39   8.401   4.806  -4.575
  264   2HB   LEU  39          2HB       LEU  39   8.098   3.106  -4.876
  265    HG   LEU  39           HG       LEU  39  10.161   3.694  -5.920
  266   1HD1  LEU  39          1HD1      LEU  39   9.830   2.870  -8.087
  267   2HD1  LEU  39          2HD1      LEU  39   8.464   2.218  -7.151
  268   3HD1  LEU  39          3HD1      LEU  39   8.220   3.614  -8.227
  269   1HD2  LEU  39          1HD2      LEU  39   9.233   5.594  -7.921
  270   2HD2  LEU  39          2HD2      LEU  39   9.039   6.213  -6.264
  271   3HD2  LEU  39          3HD2      LEU  39  10.637   5.669  -6.829
  272    H    THR  40           H        THR  40   5.960   1.960  -5.734
  273    HA   THR  40           HA       THR  40   4.177   2.448  -3.477
  274    HB   THR  40           HB       THR  40   3.362   1.522  -6.267
  275    HG1  THR  40           1HG      THR  40   1.951   3.307  -5.905
  276   1HG2  THR  40          1HG2      THR  40   1.260   0.747  -5.400
  277   2HG2  THR  40          2HG2      THR  40   2.475  -0.033  -4.360
  278   3HG2  THR  40          3HG2      THR  40   1.598   1.404  -3.780
  279    H    LEU  41           H        LEU  41   4.736   1.041  -1.951
  280    HA   LEU  41           HA       LEU  41   5.056  -1.727  -2.707
  281   1HB   LEU  41          1HB       LEU  41   7.270  -0.713  -1.027
  282   2HB   LEU  41          2HB       LEU  41   7.233  -2.032  -2.180
  283    HG   LEU  41           HG       LEU  41   7.109   0.815  -3.146
  284   1HD1  LEU  41          1HD1      LEU  41   9.581  -0.680  -2.255
  285   2HD1  LEU  41          2HD1      LEU  41   9.621   0.700  -3.378
  286   3HD1  LEU  41          3HD1      LEU  41   9.004   0.916  -1.723
  287   1HD2  LEU  41          1HD2      LEU  41   7.322  -0.074  -5.174
  288   2HD2  LEU  41          2HD2      LEU  41   8.684  -1.102  -4.666
  289   3HD2  LEU  41          3HD2      LEU  41   7.011  -1.654  -4.416
  290    H    CYS  42           H        CYS  42   5.655  -2.961  -0.457
  291    HA   CYS  42           HA       CYS  42   3.671  -1.902   1.402
  292   1HB   CYS  42          1HB       CYS  42   4.756  -4.667   1.649
  293   2HB   CYS  42          2HB       CYS  42   3.164  -4.045   2.036
  294    H    SER  43           H        SER  43   4.465  -0.907   3.222
  295    HA   SER  43           HA       SER  43   6.726  -2.044   4.529
  296   1HB   SER  43          1HB       SER  43   8.058   0.067   4.541
  297   2HB   SER  43          2HB       SER  43   7.908  -0.620   2.935
  298    HG   SER  43           HG       SER  43   6.755   1.752   4.010
  299    H    TYR  44           H        TYR  44   5.708  -2.227   6.510
  300    HA   TYR  44           HA       TYR  44   4.075   0.021   7.414
  301   1HB   TYR  44          1HB       TYR  44   4.528  -2.579   8.916
  302   2HB   TYR  44          2HB       TYR  44   3.035  -1.680   8.741
  303    HD1  TYR  44           1HD      TYR  44   3.854  -4.751   8.279
  304    HD2  TYR  44           2HD      TYR  44   2.979  -1.436   5.721
  305    HE1  TYR  44           1HE      TYR  44   3.100  -6.351   6.451
  306    HE2  TYR  44           2HE      TYR  44   2.228  -3.046   3.902
  307    HH   TYR  44           HH       TYR  44   1.728  -6.376   4.539
  308    H    GLY  45           H        GLY  45   4.264   0.700   9.727
  309   1HA   GLY  45          1HA       GLY  45   6.881   0.192  10.938
  310   2HA   GLY  45          2HA       GLY  45   6.497   1.841  10.488
  311    H    GLU  46           H        GLU  46   6.879   0.503  13.198
  312    HA   GLU  46           HA       GLU  46   4.217   0.989  14.269
  313   1HB   GLU  46          1HB       GLU  46   5.174  -0.182  16.337
  314   2HB   GLU  46          2HB       GLU  46   4.961  -1.184  14.916
  315   1HG   GLU  46          1HG       GLU  46   7.611   0.166  15.066
  316   2HG   GLU  46          2HG       GLU  46   7.313  -0.975  16.363
  317    H    GLY  47           H        GLY  47   3.919   2.455  16.040
  318   1HA   GLY  47          1HA       GLY  47   4.320   4.301  17.255
  319   2HA   GLY  47          2HA       GLY  47   5.980   3.761  17.404
  320    H    GLY  48           H        GLY  48   4.146   4.629  14.406
  321   1HA   GLY  48          1HA       GLY  48   5.725   7.079  14.137
  322   2HA   GLY  48          2HA       GLY  48   5.942   5.837  12.919
  323    H    ASN  49           H        ASN  49   4.464   5.643  11.248
  324    HA   ASN  49           HA       ASN  49   1.865   6.818  11.625
  325   1HB   ASN  49          1HB       ASN  49   3.936   7.804   9.621
  326   2HB   ASN  49          2HB       ASN  49   2.228   7.948   9.254
  327   1HD2  ASN  49          1HD2      ASN  49   4.888   9.143  11.036
  328   2HD2  ASN  49          2HD2      ASN  49   4.103  10.433  11.882
  329    H    GLY  50           H        GLY  50   1.310   4.479  11.424
  330   1HA   GLY  50          1HA       GLY  50   0.988   2.513  10.329
  331   2HA   GLY  50          2HA       GLY  50   0.308   3.585   9.120
  332    H    PHE  51           H        PHE  51   1.213   3.608   7.095
  333    HA   PHE  51           HA       PHE  51   3.267   1.814   6.487
  334   1HB   PHE  51          1HB       PHE  51   1.464   2.627   4.933
  335   2HB   PHE  51          2HB       PHE  51   2.077   4.264   5.056
  336    HD1  PHE  51           1HD      PHE  51   2.923   0.871   3.829
  337    HD2  PHE  51           2HD      PHE  51   3.784   5.022   3.620
  338    HE1  PHE  51           1HE      PHE  51   4.401   0.466   1.840
  339    HE2  PHE  51           2HE      PHE  51   5.261   4.616   1.632
  340    HZ   PHE  51           HZ       PHE  51   5.551   2.343   0.765
  341    H    GLN  52           H        GLN  52   5.438   2.186   5.725
  342    HA   GLN  52           HA       GLN  52   6.489   4.751   6.639
  343   1HB   GLN  52          1HB       GLN  52   7.071   2.410   7.840
  344   2HB   GLN  52          2HB       GLN  52   8.259   2.322   6.553
  345   1HG   GLN  52          1HG       GLN  52   8.378   4.995   7.566
  346   2HG   GLN  52          2HG       GLN  52   8.302   3.947   8.968
  347   1HE2  GLN  52          1HE2      GLN  52  10.411   4.418   9.536
  348   2HE2  GLN  52          2HE2      GLN  52  11.787   3.768   8.708
  349    H    CYS  53           H        CYS  53   9.112   4.515   5.624
  350    HA   CYS  53           HA       CYS  53   8.889   3.793   2.847
  351   1HB   CYS  53          1HB       CYS  53   8.846   6.617   3.774
  352   2HB   CYS  53          2HB       CYS  53   9.898   6.247   2.421
  353    HA   PRO  54           HA       PRO  54  13.128   3.160   3.623
  354   1HB   PRO  54          1HB       PRO  54  14.201   3.214   1.110
  355   2HB   PRO  54          2HB       PRO  54  13.363   1.821   1.765
  356   1HG   PRO  54          1HG       PRO  54  12.417   3.782  -0.235
  357   2HG   PRO  54          2HG       PRO  54  11.794   2.181   0.113
  358   1HD   PRO  54          1HD       PRO  54  10.644   4.684   0.917
  359   2HD   PRO  54          2HD       PRO  54  10.087   3.083   1.362
  360    H    THR  55           H        THR  55  15.413   3.970   3.422
  361    HA   THR  55           HA       THR  55  15.346   6.724   4.045
  362    HB   THR  55           HB       THR  55  16.966   4.840   4.824
  363    HG1  THR  55           1HG      THR  55  18.023   7.307   3.634
  364   1HG2  THR  55          1HG2      THR  55  18.296   5.686   2.195
  365   2HG2  THR  55          2HG2      THR  55  19.062   4.714   3.473
  366   3HG2  THR  55          3HG2      THR  55  17.687   4.053   2.558
  367    H    GLY  56           H        GLY  56  15.446   8.511   2.830
  368   1HA   GLY  56          1HA       GLY  56  16.321   9.756   1.049
  369   2HA   GLY  56          2HA       GLY  56  16.566   8.288   0.124
  370    H    TYR  57           H        TYR  57  13.615   7.738   1.498
  371    HA   TYR  57           HA       TYR  57  12.221   8.980  -0.776
  372   1HB   TYR  57          1HB       TYR  57  12.009   6.396   0.851
  373   2HB   TYR  57          2HB       TYR  57  10.594   6.976  -0.004
  374    HD1  TYR  57           1HD      TYR  57  10.447   6.861  -2.425
  375    HD2  TYR  57           2HD      TYR  57  13.998   5.612  -0.392
  376    HE1  TYR  57           1HE      TYR  57  11.271   5.728  -4.546
  377    HE2  TYR  57           2HE      TYR  57  14.810   4.482  -2.521
  378    HH   TYR  57           HH       TYR  57  14.299   4.950  -5.112
  379    H    ARG  58           H        ARG  58   9.779   9.299  -0.307
  380    HA   ARG  58           HA       ARG  58   9.418  10.051   2.469
  381   1HB   ARG  58          1HB       ARG  58   8.560  11.828   0.135
  382   2HB   ARG  58          2HB       ARG  58   8.458  12.219   1.841
  383   1HG   ARG  58          1HG       ARG  58  11.165  11.506   0.711
  384   2HG   ARG  58          2HG       ARG  58  10.500  13.081   0.322
  385   1HD   ARG  58          1HD       ARG  58  11.703  13.507   2.313
  386   2HD   ARG  58          2HD       ARG  58  10.061  13.315   2.896
  387    HE   ARG  58           HE       ARG  58  11.403  10.756   2.857
  388   1HH1  ARG  58          1HH1      ARG  58  11.248  13.781   4.696
  389   2HH1  ARG  58          2HH1      ARG  58  11.757  13.050   6.181
  390   1HH2  ARG  58          1HH2      ARG  58  12.238  10.702   6.228
  391    H    GLN  59           H        GLN  59   6.808  11.195   2.170
  392    HA   GLN  59           HA       GLN  59   5.375   8.801   1.382
  393   1HB   GLN  59          1HB       GLN  59   4.775  11.104   3.254
  394   2HB   GLN  59          2HB       GLN  59   3.463  10.117   2.644
  395   1HG   GLN  59          1HG       GLN  59   5.239   8.158   3.411
  396   2HG   GLN  59          2HG       GLN  59   5.630   9.410   4.572
  397   1HE2  GLN  59          1HE2      GLN  59   2.777   7.944   3.021
  398   2HE2  GLN  59          2HE2      GLN  59   1.789   7.832   4.439
  399    H    CYS  60           H        CYS  60   4.188   8.755  -0.481
  400    HA   CYS  60           HA       CYS  60   4.040  11.156  -2.030
  401   1HB   CYS  60          1HB       CYS  60   4.011   8.361  -2.535
  402   2HB   CYS  60          2HB       CYS  60   2.505   9.010  -3.153
  Start of MODEL    4
    1   1H    ASP   1          1H        ASP   1 -24.549  -3.546  -3.493
    2    HA   ASP   1           HA       ASP   1 -24.475  -4.912  -5.180
    3   1HB   ASP   1          1HB       ASP   1 -22.084  -3.132  -5.710
    4   2HB   ASP   1          2HB       ASP   1 -22.386  -4.479  -6.789
    5    H    ARG   2           H        ARG   2 -20.883  -4.617  -5.153
    6    HA   ARG   2           HA       ARG   2 -20.748  -7.282  -4.010
    7   1HB   ARG   2          1HB       ARG   2 -18.869  -6.461  -6.250
    8   2HB   ARG   2          2HB       ARG   2 -19.274  -8.077  -5.707
    9   1HG   ARG   2          1HG       ARG   2 -21.762  -7.084  -6.469
   10   2HG   ARG   2          2HG       ARG   2 -20.696  -6.322  -7.633
   11   1HD   ARG   2          1HD       ARG   2 -19.832  -8.460  -8.387
   12   2HD   ARG   2          2HD       ARG   2 -20.560  -9.310  -7.039
   13    HE   ARG   2           HE       ARG   2 -22.455  -7.866  -8.787
   14   1HH1  ARG   2          1HH1      ARG   2 -20.889 -10.956  -8.041
   15   2HH1  ARG   2          2HH1      ARG   2 -22.083 -11.902  -8.866
   16   1HH2  ARG   2          1HH2      ARG   2 -23.921 -10.798  -9.938
   17    H    CYS   3           H        CYS   3 -18.475  -7.795  -3.166
   18    HA   CYS   3           HA       CYS   3 -17.592  -5.981  -1.403
   19   1HB   CYS   3          1HB       CYS   3 -15.893  -7.405  -0.951
   20   2HB   CYS   3          2HB       CYS   3 -16.907  -8.472  -1.901
   21    H    ARG   4           H        ARG   4 -15.482  -4.681  -1.382
   22    HA   ARG   4           HA       ARG   4 -15.283  -3.323  -3.933
   23   1HB   ARG   4          1HB       ARG   4 -15.221  -2.488  -1.120
   24   2HB   ARG   4          2HB       ARG   4 -13.807  -1.890  -1.966
   25   1HG   ARG   4          1HG       ARG   4 -15.496  -0.208  -2.251
   26   2HG   ARG   4          2HG       ARG   4 -15.377  -1.028  -3.795
   27   1HD   ARG   4          1HD       ARG   4 -17.361  -2.119  -1.806
   28   2HD   ARG   4          2HD       ARG   4 -17.754  -0.596  -2.580
   29    HE   ARG   4           HE       ARG   4 -17.706  -3.221  -3.844
   30   1HH1  ARG   4          1HH1      ARG   4 -17.327   0.246  -4.471
   31   2HH1  ARG   4          2HH1      ARG   4 -17.753   0.116  -6.145
   32   1HH2  ARG   4          1HH2      ARG   4 -18.301  -2.033  -7.054
   33    H    TYR   5           H        TYR   5 -13.865  -5.028  -4.853
   34    HA   TYR   5           HA       TYR   5 -11.577  -6.015  -3.757
   35   1HB   TYR   5          1HB       TYR   5 -10.887  -5.928  -6.324
   36   2HB   TYR   5          2HB       TYR   5 -12.334  -6.822  -5.899
   37    HD1  TYR   5           1HD      TYR   5 -14.523  -6.075  -6.593
   38    HD2  TYR   5           2HD      TYR   5 -11.066  -3.682  -7.381
   39    HE1  TYR   5           1HE      TYR   5 -15.875  -4.638  -8.195
   40    HE2  TYR   5           2HE      TYR   5 -12.429  -2.252  -8.982
   41    HH   TYR   5           HH       TYR   5 -15.720  -2.243  -9.030
   42    H    THR   6           H        THR   6  -9.808  -5.058  -2.896
   43    HA   THR   6           HA       THR   6  -8.831  -2.622  -4.228
   44    HB   THR   6           HB       THR   6  -8.654  -3.052  -1.224
   45    HG1  THR   6           1HG      THR   6 -10.798  -1.995  -2.926
   46   1HG2  THR   6          1HG2      THR   6  -8.504  -0.759  -3.187
   47   2HG2  THR   6          2HG2      THR   6  -9.196  -0.437  -1.579
   48   3HG2  THR   6          3HG2      THR   6  -7.531  -1.052  -1.725
   49    H    LEU   7           H        LEU   7  -6.486  -2.175  -3.717
   50    HA   LEU   7           HA       LEU   7  -5.081  -4.697  -4.007
   51   1HB   LEU   7          1HB       LEU   7  -4.540  -1.835  -4.633
   52   2HB   LEU   7          2HB       LEU   7  -3.165  -2.879  -4.326
   53    HG   LEU   7           HG       LEU   7  -4.789  -4.314  -6.122
   54   1HD1  LEU   7          1HD1      LEU   7  -4.724  -1.368  -6.764
   55   2HD1  LEU   7          2HD1      LEU   7  -4.838  -2.610  -8.036
   56   3HD1  LEU   7          3HD1      LEU   7  -6.103  -2.493  -6.788
   57   1HD2  LEU   7          1HD2      LEU   7  -2.232  -2.737  -6.499
   58   2HD2  LEU   7          2HD2      LEU   7  -2.404  -4.466  -6.109
   59   3HD2  LEU   7          3HD2      LEU   7  -2.904  -3.859  -7.706
   60    H    CYS   8           H        CYS   8  -4.350  -5.732  -2.237
   61    HA   CYS   8           HA       CYS   8  -3.438  -4.033  -0.030
   62   1HB   CYS   8          1HB       CYS   8  -4.904  -6.674   0.116
   63   2HB   CYS   8          2HB       CYS   8  -4.100  -5.925   1.480
   64    H    CYS   9           H        CYS   9  -1.804  -5.355   1.404
   65    HA   CYS   9           HA       CYS   9  -0.004  -6.700  -0.453
   66   1HB   CYS   9          1HB       CYS   9   0.396  -5.174   2.097
   67   2HB   CYS   9          2HB       CYS   9   1.592  -6.351   1.593
   68    H    ASP  10           H        ASP  10   0.932  -8.773   0.152
   69    HA   ASP  10           HA       ASP  10  -0.861 -10.279   1.805
   70   1HB   ASP  10          1HB       ASP  10  -0.300 -11.479  -0.132
   71   2HB   ASP  10          2HB       ASP  10   1.347 -10.879  -0.154
   72    H    GLY  11           H        GLY  11   2.128  -8.555   2.048
   73   1HA   GLY  11          1HA       GLY  11   3.362  -8.208   3.948
   74   2HA   GLY  11          2HA       GLY  11   2.593  -9.579   4.723
   75    H    ALA  12           H        ALA  12   3.123 -11.294   2.215
   76    HA   ALA  12           HA       ALA  12   6.010 -11.446   2.191
   77   1HB   ALA  12          1HB       ALA  12   6.212 -13.560   3.189
   78   2HB   ALA  12          2HB       ALA  12   5.030 -12.739   4.238
   79   3HB   ALA  12          3HB       ALA  12   4.476 -13.914   3.021
   80    H    LEU  13           H        LEU  13   5.259 -10.714  -0.025
   81    HA   LEU  13           HA       LEU  13   5.474 -12.746  -1.842
   82   1HB   LEU  13          1HB       LEU  13   3.440 -13.721  -1.327
   83   2HB   LEU  13          2HB       LEU  13   2.640 -12.185  -1.061
   84    HG   LEU  13           HG       LEU  13   3.369 -12.092  -3.753
   85   1HD1  LEU  13          1HD1      LEU  13   1.942 -14.678  -3.610
   86   2HD1  LEU  13          2HD1      LEU  13   3.173 -14.098  -4.758
   87   3HD1  LEU  13          3HD1      LEU  13   3.665 -14.719  -3.164
   88   1HD2  LEU  13          1HD2      LEU  13   1.045 -12.037  -4.175
   89   2HD2  LEU  13          2HD2      LEU  13   0.676 -13.001  -2.724
   90   3HD2  LEU  13          3HD2      LEU  13   1.266 -11.330  -2.556
   91    H    LYS  14           H        LYS  14   2.888 -10.303  -2.215
   92    HA   LYS  14           HA       LYS  14   4.422  -8.137  -2.932
   93   1HB   LYS  14          1HB       LYS  14   4.895 -10.117  -4.786
   94   2HB   LYS  14          2HB       LYS  14   3.609  -9.208  -5.552
   95   1HG   LYS  14          1HG       LYS  14   5.706  -8.195  -6.225
   96   2HG   LYS  14          2HG       LYS  14   4.917  -7.081  -5.127
   97   1HD   LYS  14          1HD       LYS  14   7.045  -7.088  -4.192
   98   2HD   LYS  14          2HD       LYS  14   6.327  -8.394  -3.272
   99   1HE   LYS  14          1HE       LYS  14   8.056  -9.681  -4.005
  100   2HE   LYS  14          2HE       LYS  14   7.237  -9.715  -5.555
  101   1HZ   LYS  14          1HZ       LYS  14   9.109  -8.715  -6.296
  102   2HZ   LYS  14          2HZ       LYS  14   8.551  -7.340  -5.626
  103    H    ALA  15           H        ALA  15   3.057  -6.400  -3.086
  104    HA   ALA  15           HA       ALA  15   0.486  -6.502  -2.367
  105   1HB   ALA  15          1HB       ALA  15   0.300  -4.275  -3.179
  106   2HB   ALA  15          2HB       ALA  15   2.029  -4.493  -2.815
  107   3HB   ALA  15          3HB       ALA  15   1.457  -4.572  -4.498
  108    H    VAL  16           H        VAL  16  -1.456  -7.161  -3.184
  109    HA   VAL  16           HA       VAL  16  -1.699  -7.451  -6.068
  110    HB   VAL  16           HB       VAL  16  -0.849  -9.599  -4.895
  111   1HG1  VAL  16          1HG1      VAL  16  -2.498  -9.473  -3.025
  112   2HG1  VAL  16          2HG1      VAL  16  -3.797  -9.800  -4.198
  113   3HG1  VAL  16          3HG1      VAL  16  -2.534 -11.021  -3.906
  114   1HG2  VAL  16          1HG2      VAL  16  -3.215 -10.456  -6.366
  115   2HG2  VAL  16          2HG2      VAL  16  -2.384  -9.104  -7.171
  116   3HG2  VAL  16          3HG2      VAL  16  -1.493 -10.597  -6.791
  117    H    SER  17           H        SER  17  -4.202  -8.589  -6.212
  118    HA   SER  17           HA       SER  17  -5.747  -6.488  -4.984
  119   1HB   SER  17          1HB       SER  17  -6.616  -8.604  -7.003
  120   2HB   SER  17          2HB       SER  17  -7.524  -7.175  -6.548
  121    HG   SER  17           HG       SER  17  -6.484  -6.621  -8.448
  122    H    ALA  18           H        ALA  18  -7.648  -6.910  -3.675
  123    HA   ALA  18           HA       ALA  18  -8.024  -9.680  -2.845
  124   1HB   ALA  18          1HB       ALA  18  -7.913  -7.578  -0.707
  125   2HB   ALA  18          2HB       ALA  18  -7.541  -9.316  -0.618
  126   3HB   ALA  18          3HB       ALA  18  -6.374  -8.193  -1.357
  127    H    CYS  19           H        CYS  19 -10.154 -10.102  -2.043
  128    HA   CYS  19           HA       CYS  19 -12.021  -7.996  -2.804
  129   1HB   CYS  19          1HB       CYS  19 -12.305 -10.104  -3.961
  130   2HB   CYS  19          2HB       CYS  19 -12.406 -10.973  -2.443
  131    H    LEU  20           H        LEU  20 -11.909  -6.709  -0.873
  132    HA   LEU  20           HA       LEU  20 -12.938  -8.091   1.507
  133   1HB   LEU  20          1HB       LEU  20 -10.574  -6.424   1.134
  134   2HB   LEU  20          2HB       LEU  20 -11.621  -5.826   2.406
  135    HG   LEU  20           HG       LEU  20 -11.550  -8.064   3.489
  136   1HD1  LEU  20          1HD1      LEU  20 -10.699  -9.879   2.527
  137   2HD1  LEU  20          2HD1      LEU  20 -10.600  -8.936   1.020
  138   3HD1  LEU  20          3HD1      LEU  20  -9.189  -9.036   2.101
  139   1HD2  LEU  20          1HD2      LEU  20  -9.845  -7.328   4.713
  140   2HD2  LEU  20          2HD2      LEU  20  -8.692  -7.547   3.375
  141   3HD2  LEU  20          3HD2      LEU  20  -9.635  -6.042   3.500
  142    H    HIS  21           H        HIS  21 -14.369  -6.798   2.880
  143    HA   HIS  21           HA       HIS  21 -15.925  -4.997   1.226
  144   1HB   HIS  21          1HB       HIS  21 -16.598  -6.034   3.986
  145   2HB   HIS  21          2HB       HIS  21 -17.686  -5.319   2.814
  146    HD1  HIS  21           1HD      HIS  21 -17.523  -6.840   0.337
  147    HD2  HIS  21           2HD      HIS  21 -16.914  -8.732   4.032
  148    HE1  HIS  21           1HE      HIS  21 -17.945  -9.326  -0.055
  149    H    GLU  22           H        GLU  22 -17.015  -3.126   2.693
  150    HA   GLU  22           HA       GLU  22 -14.894  -1.411   3.262
  151   1HB   GLU  22          1HB       GLU  22 -17.732  -1.245   2.936
  152   2HB   GLU  22          2HB       GLU  22 -17.361  -0.494   4.475
  153   1HG   GLU  22          1HG       GLU  22 -16.890   1.355   3.210
  154   2HG   GLU  22          2HG       GLU  22 -15.350   0.564   2.933
  155    H    SER  23           H        SER  23 -16.859  -3.618   5.232
  156    HA   SER  23           HA       SER  23 -16.055  -2.421   7.679
  157   1HB   SER  23          1HB       SER  23 -17.943  -4.426   6.799
  158   2HB   SER  23          2HB       SER  23 -16.966  -5.114   8.081
  159    HG   SER  23           HG       SER  23 -19.001  -3.801   8.642
  160    H    GLU  24           H        GLU  24 -14.292  -3.981   5.397
  161    HA   GLU  24           HA       GLU  24 -12.643  -5.272   7.427
  162   1HB   GLU  24          1HB       GLU  24 -13.929  -6.777   5.674
  163   2HB   GLU  24          2HB       GLU  24 -12.688  -6.241   4.559
  164   1HG   GLU  24          1HG       GLU  24 -11.816  -8.254   5.487
  165   2HG   GLU  24          2HG       GLU  24 -10.959  -6.981   6.332
  166    H    SER  25           H        SER  25 -10.288  -5.250   6.956
  167    HA   SER  25           HA       SER  25  -9.488  -3.489   4.834
  168   1HB   SER  25          1HB       SER  25  -8.239  -1.959   6.300
  169   2HB   SER  25          2HB       SER  25  -9.944  -1.926   6.703
  170    HG   SER  25           HG       SER  25  -8.998  -2.140   8.680
  171    H    CYS  26           H        CYS  26  -7.372  -3.968   4.113
  172    HA   CYS  26           HA       CYS  26  -6.007  -6.036   5.679
  173   1HB   CYS  26          1HB       CYS  26  -5.031  -6.397   3.175
  174   2HB   CYS  26          2HB       CYS  26  -6.333  -7.322   3.894
  175    H    LEU  27           H        LEU  27  -3.527  -6.035   5.094
  176    HA   LEU  27           HA       LEU  27  -2.504  -3.524   5.746
  177   1HB   LEU  27          1HB       LEU  27  -1.578  -5.946   6.027
  178   2HB   LEU  27          2HB       LEU  27  -0.877  -5.680   4.443
  179    HG   LEU  27           HG       LEU  27   0.416  -3.805   5.249
  180   1HD1  LEU  27          1HD1      LEU  27  -1.162  -4.156   7.798
  181   2HD1  LEU  27          2HD1      LEU  27   0.385  -3.278   7.739
  182   3HD1  LEU  27          3HD1      LEU  27  -1.000  -2.708   6.777
  183   1HD2  LEU  27          1HD2      LEU  27   0.620  -6.171   7.133
  184   2HD2  LEU  27          2HD2      LEU  27   1.387  -6.020   5.534
  185   3HD2  LEU  27          3HD2      LEU  27   1.878  -4.942   6.863
  186    H    VAL  28           H        VAL  28  -3.271  -1.928   4.308
  187    HA   VAL  28           HA       VAL  28  -2.946  -2.239   1.500
  188    HB   VAL  28           HB       VAL  28  -4.735  -0.920   2.398
  189   1HG1  VAL  28          1HG1      VAL  28  -3.993  -0.134   4.481
  190   2HG1  VAL  28          2HG1      VAL  28  -2.533   0.609   3.788
  191   3HG1  VAL  28          3HG1      VAL  28  -4.129   1.338   3.490
  192   1HG2  VAL  28          1HG2      VAL  28  -2.626   0.617   0.874
  193   2HG2  VAL  28          2HG2      VAL  28  -4.118  -0.143   0.267
  194   3HG2  VAL  28          3HG2      VAL  28  -4.210   1.331   1.260
  195    HA   PRO  29           HA       PRO  29   1.172  -0.932   1.234
  196   1HB   PRO  29          1HB       PRO  29   1.320  -0.387  -1.440
  197   2HB   PRO  29          2HB       PRO  29   1.450  -2.007  -0.783
  198   1HG   PRO  29          1HG       PRO  29  -0.827  -0.755  -2.193
  199   2HG   PRO  29          2HG       PRO  29  -0.510  -2.456  -1.912
  200   1HD   PRO  29          1HD       PRO  29  -2.397  -0.808  -0.515
  201   2HD   PRO  29          2HD       PRO  29  -1.997  -2.476  -0.159
  202    H    GLY  30           H        GLY  30   2.489   0.921  -0.179
  203   1HA   GLY  30          1HA       GLY  30   0.991   3.414   0.135
  204   2HA   GLY  30          2HA       GLY  30   2.407   3.191   1.144
  205    H    ASP  31           H        ASP  31   1.679   4.986  -1.310
  206    HA   ASP  31           HA       ASP  31   3.757   4.111  -3.116
  207   1HB   ASP  31          1HB       ASP  31   1.995   6.584  -3.366
  208   2HB   ASP  31          2HB       ASP  31   2.880   5.779  -4.646
  209    H    CYS  32           H        CYS  32   5.815   4.813  -2.497
  210    HA   CYS  32           HA       CYS  32   6.035   7.279  -1.004
  211   1HB   CYS  32          1HB       CYS  32   7.942   5.044  -1.658
  212   2HB   CYS  32          2HB       CYS  32   8.518   6.569  -1.015
  213    H    CYS  33           H        CYS  33   6.401   9.201  -2.056
  214    HA   CYS  33           HA       CYS  33   7.485   9.013  -4.769
  215   1HB   CYS  33          1HB       CYS  33   6.490  11.399  -4.912
  216   2HB   CYS  33          2HB       CYS  33   5.444  10.001  -5.070
  217    H    ARG  34           H        ARG  34   9.301  10.333  -5.302
  218    HA   ARG  34           HA       ARG  34  10.256  12.126  -3.283
  219   1HB   ARG  34          1HB       ARG  34  11.300   9.997  -2.588
  220   2HB   ARG  34          2HB       ARG  34  11.875   9.705  -4.217
  221   1HG   ARG  34          1HG       ARG  34  13.783  10.597  -3.152
  222   2HG   ARG  34          2HG       ARG  34  13.125  11.991  -3.984
  223   1HD   ARG  34          1HD       ARG  34  11.973  11.615  -1.278
  224   2HD   ARG  34          2HD       ARG  34  13.709  11.857  -1.254
  225    HE   ARG  34           HE       ARG  34  12.198  13.742  -2.956
  226   1HH1  ARG  34          1HH1      ARG  34  13.680  13.152   0.207
  227   2HH1  ARG  34          2HH1      ARG  34  13.764  14.831   0.620
  228   1HH2  ARG  34          1HH2      ARG  34  12.954  16.465  -0.936
  229    H    GLY  35           H        GLY  35  10.956  13.951  -4.359
  230   1HA   GLY  35          1HA       GLY  35  11.759  15.285  -5.980
  231   2HA   GLY  35          2HA       GLY  35  12.679  13.917  -6.573
  232    H    LYS  36           H        LYS  36  11.751  12.481  -8.191
  233    HA   LYS  36           HA       LYS  36   9.202  13.307  -9.307
  234   1HB   LYS  36          1HB       LYS  36  11.472  13.073 -11.243
  235   2HB   LYS  36          2HB       LYS  36   9.958  13.943 -11.389
  236   1HG   LYS  36          1HG       LYS  36  10.812  15.503  -9.519
  237   2HG   LYS  36          2HG       LYS  36  12.374  14.726  -9.700
  238   1HD   LYS  36          1HD       LYS  36  12.672  15.541 -11.916
  239   2HD   LYS  36          2HD       LYS  36  10.961  15.848 -12.139
  240   1HE   LYS  36          1HE       LYS  36  11.251  17.578 -10.167
  241   2HE   LYS  36          2HE       LYS  36  12.964  17.452 -10.514
  242   1HZ   LYS  36          1HZ       LYS  36  11.287  19.100 -11.825
  243   2HZ   LYS  36          2HZ       LYS  36  12.705  18.591 -12.444
  244    H    SER  37           H        SER  37  10.306  11.002  -7.761
  245    HA   SER  37           HA       SER  37   9.637   9.002  -9.758
  246   1HB   SER  37          1HB       SER  37  12.057   9.062  -7.946
  247   2HB   SER  37          2HB       SER  37  11.355   7.515  -8.376
  248    HG   SER  37           HG       SER  37  12.347   7.661 -10.257
  249    H    ARG  38           H        ARG  38   7.884   7.842  -9.049
  250    HA   ARG  38           HA       ARG  38   7.587   7.637  -6.160
  251   1HB   ARG  38          1HB       ARG  38   5.073   7.584  -6.620
  252   2HB   ARG  38          2HB       ARG  38   5.843   9.124  -6.944
  253   1HG   ARG  38          1HG       ARG  38   5.351   9.022  -9.167
  254   2HG   ARG  38          2HG       ARG  38   5.934   7.375  -9.305
  255   1HD   ARG  38          1HD       ARG  38   3.195   8.184  -8.208
  256   2HD   ARG  38          2HD       ARG  38   3.489   7.549  -9.814
  257    HE   ARG  38           HE       ARG  38   4.559   5.790  -7.757
  258   1HH1  ARG  38          1HH1      ARG  38   1.576   6.692  -9.441
  259   2HH1  ARG  38          2HH1      ARG  38   0.806   5.167  -9.155
  260   1HH2  ARG  38          1HH2      ARG  38   1.982   3.469  -7.940
  261    H    LEU  39           H        LEU  39   6.720   5.598  -5.359
  262    HA   LEU  39           HA       LEU  39   6.163   3.530  -7.294
  263   1HB   LEU  39          1HB       LEU  39   8.131   2.555  -7.294
  264   2HB   LEU  39          2HB       LEU  39   8.780   3.848  -6.306
  265    HG   LEU  39           HG       LEU  39   7.472   1.334  -5.230
  266   1HD1  LEU  39          1HD1      LEU  39   9.408   0.273  -5.432
  267   2HD1  LEU  39          2HD1      LEU  39  10.037   1.659  -6.356
  268   3HD1  LEU  39          3HD1      LEU  39  10.266   1.587  -4.592
  269   1HD2  LEU  39          1HD2      LEU  39   9.151   2.670  -3.337
  270   2HD2  LEU  39          2HD2      LEU  39   7.973   3.835  -3.989
  271   3HD2  LEU  39          3HD2      LEU  39   7.408   2.320  -3.247
  272    H    THR  40           H        THR  40   5.075   1.699  -6.332
  273    HA   THR  40           HA       THR  40   4.096   2.310  -3.620
  274    HB   THR  40           HB       THR  40   2.669   2.214  -6.010
  275    HG1  THR  40           1HG      THR  40   0.913   1.727  -4.253
  276   1HG2  THR  40          1HG2      THR  40   2.959  -0.301  -6.105
  277   2HG2  THR  40          2HG2      THR  40   2.235  -0.407  -4.483
  278   3HG2  THR  40          3HG2      THR  40   1.265   0.186  -5.852
  279    H    LEU  41           H        LEU  41   4.765   0.979  -2.071
  280    HA   LEU  41           HA       LEU  41   4.909  -1.845  -2.655
  281   1HB   LEU  41          1HB       LEU  41   7.122  -2.185  -2.441
  282   2HB   LEU  41          2HB       LEU  41   7.165  -0.595  -3.176
  283    HG   LEU  41           HG       LEU  41   7.107   0.054  -0.513
  284   1HD1  LEU  41          1HD1      LEU  41   8.249  -1.401   0.827
  285   2HD1  LEU  41          2HD1      LEU  41   7.403  -2.559  -0.227
  286   3HD1  LEU  41          3HD1      LEU  41   9.111  -2.162  -0.531
  287   1HD2  LEU  41          1HD2      LEU  41   9.680  -0.490  -1.999
  288   2HD2  LEU  41          2HD2      LEU  41   8.593   0.857  -2.413
  289   3HD2  LEU  41          3HD2      LEU  41   9.333   0.775  -0.797
  290    H    CYS  42           H        CYS  42   5.540  -3.038  -0.494
  291    HA   CYS  42           HA       CYS  42   3.857  -1.819   1.516
  292   1HB   CYS  42          1HB       CYS  42   5.132  -4.486   1.908
  293   2HB   CYS  42          2HB       CYS  42   3.550  -3.910   2.397
  294    H    SER  43           H        SER  43   4.756  -0.627   3.161
  295    HA   SER  43           HA       SER  43   7.298  -1.473   4.199
  296   1HB   SER  43          1HB       SER  43   7.610   0.299   2.293
  297   2HB   SER  43          2HB       SER  43   6.970   1.449   3.451
  298    HG   SER  43           HG       SER  43   8.698   0.956   4.894
  299    H    TYR  44           H        TYR  44   6.104  -1.993   6.119
  300    HA   TYR  44           HA       TYR  44   4.550   0.129   7.348
  301   1HB   TYR  44          1HB       TYR  44   5.267  -2.536   8.619
  302   2HB   TYR  44          2HB       TYR  44   3.721  -1.712   8.637
  303    HD1  TYR  44           1HD      TYR  44   5.094  -4.619   7.622
  304    HD2  TYR  44           2HD      TYR  44   2.937  -1.340   5.919
  305    HE1  TYR  44           1HE      TYR  44   4.259  -6.128   5.754
  306    HE2  TYR  44           2HE      TYR  44   2.109  -2.860   4.058
  307    HH   TYR  44           HH       TYR  44   1.925  -4.940   3.385
  308    H    GLY  45           H        GLY  45   4.874   0.554   9.744
  309   1HA   GLY  45          1HA       GLY  45   7.753   0.476  10.422
  310   2HA   GLY  45          2HA       GLY  45   6.762   1.904  10.644
  311    H    GLU  46           H        GLU  46   7.540   1.628  12.960
  312    HA   GLU  46           HA       GLU  46   5.665  -0.139  14.316
  313   1HB   GLU  46          1HB       GLU  46   8.507   0.370  15.287
  314   2HB   GLU  46          2HB       GLU  46   7.347  -0.763  15.954
  315   1HG   GLU  46          1HG       GLU  46   8.811  -2.095  14.611
  316   2HG   GLU  46          2HG       GLU  46   7.345  -1.936  13.663
  317    H    GLY  47           H        GLY  47   4.661   0.743  16.164
  318   1HA   GLY  47          1HA       GLY  47   3.763   2.473  17.312
  319   2HA   GLY  47          2HA       GLY  47   5.424   2.737  17.802
  320    H    GLY  48           H        GLY  48   3.939   3.126  14.521
  321   1HA   GLY  48          1HA       GLY  48   4.494   6.023  14.714
  322   2HA   GLY  48          2HA       GLY  48   4.986   5.074  13.326
  323    H    ASN  49           H        ASN  49   3.557   4.805  11.642
  324    HA   ASN  49           HA       ASN  49   0.748   4.994  12.222
  325   1HB   ASN  49          1HB       ASN  49   1.860   7.345  11.578
  326   2HB   ASN  49          2HB       ASN  49   1.814   6.700   9.949
  327   1HD2  ASN  49          1HD2      ASN  49  -0.042   7.704  12.724
  328   2HD2  ASN  49          2HD2      ASN  49  -1.589   7.840  11.957
  329    H    GLY  50           H        GLY  50   0.734   2.747  11.495
  330   1HA   GLY  50          1HA       GLY  50   0.960   1.016  10.036
  331   2HA   GLY  50          2HA       GLY  50   0.050   2.103   9.006
  332    H    PHE  51           H        PHE  51   0.954   2.737   7.082
  333    HA   PHE  51           HA       PHE  51   3.331   1.645   6.206
  334   1HB   PHE  51          1HB       PHE  51   1.316   2.687   4.938
  335   2HB   PHE  51          2HB       PHE  51   1.974   4.262   5.331
  336    HD1  PHE  51           1HD      PHE  51   3.166   5.291   3.661
  337    HD2  PHE  51           2HD      PHE  51   3.218   1.052   3.864
  338    HE1  PHE  51           1HE      PHE  51   4.597   5.210   1.600
  339    HE2  PHE  51           2HE      PHE  51   4.649   0.971   1.804
  340    HZ   PHE  51           HZ       PHE  51   5.320   3.051   0.696
  341    H    GLN  52           H        GLN  52   5.406   2.611   5.677
  342    HA   GLN  52           HA       GLN  52   5.950   5.156   6.898
  343   1HB   GLN  52          1HB       GLN  52   6.306   3.318   8.663
  344   2HB   GLN  52          2HB       GLN  52   7.635   2.742   7.675
  345   1HG   GLN  52          1HG       GLN  52   8.954   4.253   8.738
  346   2HG   GLN  52          2HG       GLN  52   8.113   5.504   7.845
  347   1HE2  GLN  52          1HE2      GLN  52   8.608   6.828   9.688
  348   2HE2  GLN  52          2HE2      GLN  52   7.583   6.821  11.084
  349    H    CYS  53           H        CYS  53   7.040   6.288   5.356
  350    HA   CYS  53           HA       CYS  53   8.250   4.882   3.191
  351   1HB   CYS  53          1HB       CYS  53   7.684   7.727   3.871
  352   2HB   CYS  53          2HB       CYS  53   8.973   7.413   2.725
  353    HA   PRO  54           HA       PRO  54  12.210   4.796   5.041
  354   1HB   PRO  54          1HB       PRO  54  13.679   3.975   2.888
  355   2HB   PRO  54          2HB       PRO  54  12.775   2.873   3.907
  356   1HG   PRO  54          1HG       PRO  54  12.128   3.834   1.188
  357   2HG   PRO  54          2HG       PRO  54  11.491   2.442   2.040
  358   1HD   PRO  54          1HD       PRO  54  10.172   4.956   1.630
  359   2HD   PRO  54          2HD       PRO  54   9.583   3.606   2.581
  360    H    THR  55           H        THR  55  14.552   5.577   4.703
  361    HA   THR  55           HA       THR  55  14.370   8.361   4.388
  362    HB   THR  55           HB       THR  55  16.060   6.775   5.681
  363    HG1  THR  55           1HG      THR  55  17.365   8.674   5.682
  364   1HG2  THR  55          1HG2      THR  55  18.220   6.562   4.487
  365   2HG2  THR  55          2HG2      THR  55  16.967   5.657   3.604
  366   3HG2  THR  55          3HG2      THR  55  17.495   7.252   3.015
  367    H    GLY  56           H        GLY  56  14.431   9.687   2.681
  368   1HA   GLY  56          1HA       GLY  56  15.322  10.353   0.613
  369   2HA   GLY  56          2HA       GLY  56  15.621   8.680   0.189
  370    H    TYR  57           H        TYR  57  12.629   8.639   1.683
  371    HA   TYR  57           HA       TYR  57  11.241   9.115  -0.869
  372   1HB   TYR  57          1HB       TYR  57  11.116   6.972   1.319
  373   2HB   TYR  57          2HB       TYR  57   9.707   7.254   0.315
  374    HD1  TYR  57           1HD      TYR  57   9.989   7.026  -2.242
  375    HD2  TYR  57           2HD      TYR  57  12.857   5.568   0.577
  376    HE1  TYR  57           1HE      TYR  57  10.948   5.472  -4.011
  377    HE2  TYR  57           2HE      TYR  57  13.807   4.019  -1.201
  378    HH   TYR  57           HH       TYR  57  13.432   3.117  -3.185
  379    H    ARG  58           H        ARG  58   8.917   9.685  -0.644
  380    HA   ARG  58           HA       ARG  58   8.280  10.739   1.972
  381   1HB   ARG  58          1HB       ARG  58   8.907  12.335  -0.409
  382   2HB   ARG  58          2HB       ARG  58   7.269  12.653   0.124
  383   1HG   ARG  58          1HG       ARG  58   8.032  13.904   1.851
  384   2HG   ARG  58          2HG       ARG  58   8.946  12.542   2.469
  385   1HD   ARG  58          1HD       ARG  58  10.931  13.297   1.580
  386   2HD   ARG  58          2HD       ARG  58  10.181  13.826   0.087
  387    HE   ARG  58           HE       ARG  58   9.771  15.954   1.042
  388   1HH1  ARG  58          1HH1      ARG  58  10.967  13.714   3.513
  389   2HH1  ARG  58          2HH1      ARG  58  11.250  14.960   4.683
  390   1HH2  ARG  58          1HH2      ARG  58  10.759  17.236   4.115
  391    H    GLN  59           H        GLN  59   6.511   9.394   2.367
  392    HA   GLN  59           HA       GLN  59   4.928   8.138   0.685
  393   1HB   GLN  59          1HB       GLN  59   3.180   8.162   2.413
  394   2HB   GLN  59          2HB       GLN  59   4.759   8.009   3.156
  395   1HG   GLN  59          1HG       GLN  59   4.399  10.786   3.018
  396   2HG   GLN  59          2HG       GLN  59   2.787  10.199   3.377
  397   1HE2  GLN  59          1HE2      GLN  59   2.676   8.469   5.092
  398   2HE2  GLN  59          2HE2      GLN  59   3.636   8.687   6.517
  399    H    CYS  60           H        CYS  60   3.453   8.584  -0.912
  400    HA   CYS  60           HA       CYS  60   2.973  11.331  -1.523
  401   1HB   CYS  60          1HB       CYS  60   2.898   8.819  -2.905
  402   2HB   CYS  60          2HB       CYS  60   1.364   9.636  -3.132
  Start of MODEL    5
    1   1H    ASP   1          1H        ASP   1 -22.459 -10.460  -1.068
    2    HA   ASP   1           HA       ASP   1 -23.354 -10.627  -3.707
    3   1HB   ASP   1          1HB       ASP   1 -24.195  -9.417  -1.171
    4   2HB   ASP   1          2HB       ASP   1 -24.528  -8.335  -2.508
    5    H    ARG   2           H        ARG   2 -21.928  -7.943  -1.692
    6    HA   ARG   2           HA       ARG   2 -21.050  -6.744  -4.192
    7   1HB   ARG   2          1HB       ARG   2 -21.702  -4.945  -1.860
    8   2HB   ARG   2          2HB       ARG   2 -21.797  -4.605  -3.577
    9   1HG   ARG   2          1HG       ARG   2 -24.054  -4.858  -3.251
   10   2HG   ARG   2          2HG       ARG   2 -23.693  -6.565  -3.409
   11   1HD   ARG   2          1HD       ARG   2 -23.338  -6.630  -0.868
   12   2HD   ARG   2          2HD       ARG   2 -23.945  -4.988  -0.806
   13    HE   ARG   2           HE       ARG   2 -25.530  -7.382  -1.128
   14   1HH1  ARG   2          1HH1      ARG   2 -25.397  -3.986  -2.127
   15   2HH1  ARG   2          2HH1      ARG   2 -27.106  -3.863  -2.378
   16   1HH2  ARG   2          1HH2      ARG   2 -28.491  -5.777  -1.978
   17    H    CYS   3           H        CYS   3 -19.071  -5.352  -3.934
   18    HA   CYS   3           HA       CYS   3 -17.708  -5.084  -1.553
   19   1HB   CYS   3          1HB       CYS   3 -17.066  -7.187  -1.141
   20   2HB   CYS   3          2HB       CYS   3 -17.391  -7.728  -2.776
   21    H    ARG   4           H        ARG   4 -15.577  -4.060  -1.962
   22    HA   ARG   4           HA       ARG   4 -15.414  -3.193  -4.732
   23   1HB   ARG   4          1HB       ARG   4 -15.839  -1.396  -3.037
   24   2HB   ARG   4          2HB       ARG   4 -14.372  -1.843  -2.190
   25   1HG   ARG   4          1HG       ARG   4 -13.320  -0.308  -3.501
   26   2HG   ARG   4          2HG       ARG   4 -13.445  -1.489  -4.791
   27   1HD   ARG   4          1HD       ARG   4 -15.835   0.282  -4.281
   28   2HD   ARG   4          2HD       ARG   4 -14.437   1.005  -5.052
   29    HE   ARG   4           HE       ARG   4 -15.317  -1.557  -6.223
   30   1HH1  ARG   4          1HH1      ARG   4 -15.511   1.977  -6.380
   31   2HH1  ARG   4          2HH1      ARG   4 -16.043   1.999  -8.029
   32   1HH2  ARG   4          1HH2      ARG   4 -16.336  -0.075  -9.195
   33    H    TYR   5           H        TYR   5 -14.134  -5.124  -5.317
   34    HA   TYR   5           HA       TYR   5 -11.953  -6.127  -4.094
   35   1HB   TYR   5          1HB       TYR   5 -11.216  -6.506  -6.574
   36   2HB   TYR   5          2HB       TYR   5 -12.836  -7.046  -6.178
   37    HD1  TYR   5           1HD      TYR   5 -10.846  -4.576  -8.023
   38    HD2  TYR   5           2HD      TYR   5 -14.808  -5.831  -7.005
   39    HE1  TYR   5           1HE      TYR   5 -11.792  -3.126  -9.886
   40    HE2  TYR   5           2HE      TYR   5 -15.740  -4.377  -8.870
   41    HH   TYR   5           HH       TYR   5 -14.013  -3.278 -11.331
   42    H    THR   6           H        THR   6 -10.010  -5.371  -3.422
   43    HA   THR   6           HA       THR   6  -8.820  -3.162  -4.945
   44    HB   THR   6           HB       THR   6  -8.789  -3.269  -1.901
   45    HG1  THR   6           1HG      THR   6 -10.900  -2.622  -2.040
   46   1HG2  THR   6          1HG2      THR   6  -7.279  -1.595  -2.779
   47   2HG2  THR   6          2HG2      THR   6  -8.434  -1.126  -4.049
   48   3HG2  THR   6          3HG2      THR   6  -8.764  -0.714  -2.349
   49    H    LEU   7           H        LEU   7  -6.445  -2.875  -4.364
   50    HA   LEU   7           HA       LEU   7  -5.312  -5.562  -4.231
   51   1HB   LEU   7          1HB       LEU   7  -4.374  -2.935  -5.345
   52   2HB   LEU   7          2HB       LEU   7  -3.242  -4.234  -5.023
   53    HG   LEU   7           HG       LEU   7  -5.393  -5.363  -6.504
   54   1HD1  LEU   7          1HD1      LEU   7  -4.271  -3.136  -8.149
   55   2HD1  LEU   7          2HD1      LEU   7  -5.805  -4.025  -8.309
   56   3HD1  LEU   7          3HD1      LEU   7  -5.623  -2.783  -7.047
   57   1HD2  LEU   7          1HD2      LEU   7  -2.479  -4.796  -6.998
   58   2HD2  LEU   7          2HD2      LEU   7  -3.299  -6.348  -6.704
   59   3HD2  LEU   7          3HD2      LEU   7  -3.503  -5.516  -8.264
   60    H    CYS   8           H        CYS   8  -4.117  -6.258  -2.518
   61    HA   CYS   8           HA       CYS   8  -3.121  -4.234  -0.681
   62   1HB   CYS   8          1HB       CYS   8  -4.849  -6.571   0.153
   63   2HB   CYS   8          2HB       CYS   8  -3.920  -5.576   1.256
   64    H    CYS   9           H        CYS   9  -1.525  -5.339   0.919
   65    HA   CYS   9           HA       CYS   9  -0.005  -7.272  -0.624
   66   1HB   CYS   9          1HB       CYS   9   0.627  -5.247   1.454
   67   2HB   CYS   9          2HB       CYS   9   1.592  -6.710   1.470
   68    H    ASP  10           H        ASP  10   0.998  -9.142   0.633
   69    HA   ASP  10           HA       ASP  10  -1.059 -10.292   2.259
   70   1HB   ASP  10          1HB       ASP  10  -0.151 -12.303   1.630
   71   2HB   ASP  10          2HB       ASP  10   0.633 -11.338   0.396
   72    H    GLY  11           H        GLY  11   1.882  -8.489   2.614
   73   1HA   GLY  11          1HA       GLY  11   2.425  -7.661   4.791
   74   2HA   GLY  11          2HA       GLY  11   2.029  -9.227   5.470
   75    H    ALA  12           H        ALA  12   3.327 -10.882   3.437
   76    HA   ALA  12           HA       ALA  12   6.082 -10.029   3.381
   77   1HB   ALA  12          1HB       ALA  12   6.952 -11.782   4.741
   78   2HB   ALA  12          2HB       ALA  12   5.629 -11.059   5.686
   79   3HB   ALA  12          3HB       ALA  12   5.375 -12.600   4.831
   80    H    LEU  13           H        LEU  13   5.208 -10.093   1.086
   81    HA   LEU  13           HA       LEU  13   6.168 -12.339  -0.215
   82   1HB   LEU  13          1HB       LEU  13   4.240 -13.488   0.749
   83   2HB   LEU  13          2HB       LEU  13   3.156 -12.314   0.028
   84    HG   LEU  13           HG       LEU  13   4.380 -13.136  -2.212
   85   1HD1  LEU  13          1HD1      LEU  13   5.275 -15.015  -0.232
   86   2HD1  LEU  13          2HD1      LEU  13   4.246 -15.844  -1.424
   87   3HD1  LEU  13          3HD1      LEU  13   5.669 -14.921  -1.964
   88   1HD2  LEU  13          1HD2      LEU  13   2.272 -14.988  -1.200
   89   2HD2  LEU  13          2HD2      LEU  13   1.890 -13.252  -1.289
   90   3HD2  LEU  13          3HD2      LEU  13   2.401 -14.127  -2.752
   91    H    LYS  14           H        LYS  14   3.097 -11.084  -1.405
   92    HA   LYS  14           HA       LYS  14   4.429  -8.897  -2.770
   93   1HB   LYS  14          1HB       LYS  14   3.143 -11.216  -4.239
   94   2HB   LYS  14          2HB       LYS  14   3.552  -9.682  -4.981
   95   1HG   LYS  14          1HG       LYS  14   5.604 -11.376  -3.487
   96   2HG   LYS  14          2HG       LYS  14   5.301 -11.562  -5.204
   97   1HD   LYS  14          1HD       LYS  14   6.120  -9.395  -5.723
   98   2HD   LYS  14          2HD       LYS  14   5.892  -8.806  -4.087
   99   1HE   LYS  14          1HE       LYS  14   7.901  -9.669  -3.344
  100   2HE   LYS  14          2HE       LYS  14   7.768 -11.115  -4.325
  101   1HZ   LYS  14          1HZ       LYS  14   9.107 -10.148  -5.825
  102   2HZ   LYS  14          2HZ       LYS  14   8.074  -8.907  -6.043
  103    H    ALA  15           H        ALA  15   2.519  -7.930  -4.367
  104    HA   ALA  15           HA       ALA  15   0.290  -7.547  -2.506
  105   1HB   ALA  15          1HB       ALA  15   1.343  -5.873  -4.821
  106   2HB   ALA  15          2HB       ALA  15  -0.068  -5.455  -3.820
  107   3HB   ALA  15          3HB       ALA  15   1.551  -5.536  -3.086
  108    H    VAL  16           H        VAL  16  -1.608  -8.540  -2.949
  109    HA   VAL  16           HA       VAL  16  -2.137  -9.168  -5.771
  110    HB   VAL  16           HB       VAL  16  -1.506 -11.049  -4.040
  111   1HG1  VAL  16          1HG1      VAL  16  -3.257 -11.948  -2.757
  112   2HG1  VAL  16          2HG1      VAL  16  -3.369 -10.193  -2.478
  113   3HG1  VAL  16          3HG1      VAL  16  -4.495 -10.990  -3.604
  114   1HG2  VAL  16          1HG2      VAL  16  -2.349 -11.193  -6.472
  115   2HG2  VAL  16          2HG2      VAL  16  -2.576 -12.616  -5.427
  116   3HG2  VAL  16          3HG2      VAL  16  -3.945 -11.527  -5.759
  117    H    SER  17           H        SER  17  -4.660  -9.699  -5.970
  118    HA   SER  17           HA       SER  17  -5.918  -7.354  -4.857
  119   1HB   SER  17          1HB       SER  17  -6.156  -7.668  -7.259
  120   2HB   SER  17          2HB       SER  17  -6.733  -9.308  -7.047
  121    HG   SER  17           HG       SER  17  -8.606  -8.382  -5.885
  122    H    ALA  18           H        ALA  18  -8.071  -7.488  -3.821
  123    HA   ALA  18           HA       ALA  18  -8.916 -10.133  -2.986
  124   1HB   ALA  18          1HB       ALA  18  -8.512  -9.882  -0.728
  125   2HB   ALA  18          2HB       ALA  18  -7.123  -8.974  -1.375
  126   3HB   ALA  18          3HB       ALA  18  -8.568  -8.104  -0.805
  127    H    CYS  19           H        CYS  19 -11.096 -10.050  -1.951
  128    HA   CYS  19           HA       CYS  19 -12.530  -7.699  -2.943
  129   1HB   CYS  19          1HB       CYS  19 -13.007 -10.030  -3.895
  130   2HB   CYS  19          2HB       CYS  19 -13.751 -10.391  -2.350
  131    H    LEU  20           H        LEU  20 -12.299  -6.380  -1.063
  132    HA   LEU  20           HA       LEU  20 -13.522  -7.519   1.354
  133   1HB   LEU  20          1HB       LEU  20 -11.025  -6.052   0.920
  134   2HB   LEU  20          2HB       LEU  20 -12.023  -5.363   2.185
  135    HG   LEU  20           HG       LEU  20 -12.097  -7.573   3.314
  136   1HD1  LEU  20          1HD1      LEU  20  -9.855  -8.611   1.655
  137   2HD1  LEU  20          2HD1      LEU  20 -11.140  -9.476   2.531
  138   3HD1  LEU  20          3HD1      LEU  20 -11.495  -8.701   0.968
  139   1HD2  LEU  20          1HD2      LEU  20 -10.198  -5.688   3.480
  140   2HD2  LEU  20          2HD2      LEU  20 -10.181  -7.178   4.454
  141   3HD2  LEU  20          3HD2      LEU  20  -9.189  -7.067   2.980
  142    H    HIS  21           H        HIS  21 -14.802  -5.997   2.664
  143    HA   HIS  21           HA       HIS  21 -16.189  -4.163   0.895
  144   1HB   HIS  21          1HB       HIS  21 -16.945  -5.036   3.693
  145   2HB   HIS  21          2HB       HIS  21 -17.962  -4.204   2.532
  146    HD1  HIS  21           1HD      HIS  21 -19.490  -6.446   3.140
  147    HD2  HIS  21           2HD      HIS  21 -16.123  -6.982   0.697
  148    HE1  HIS  21           1HE      HIS  21 -19.819  -8.679   1.949
  149    H    GLU  22           H        GLU  22 -17.129  -2.145   2.317
  150    HA   GLU  22           HA       GLU  22 -14.869  -0.578   2.763
  151   1HB   GLU  22          1HB       GLU  22 -17.687  -0.202   2.482
  152   2HB   GLU  22          2HB       GLU  22 -17.237   0.562   3.993
  153   1HG   GLU  22          1HG       GLU  22 -15.554   1.939   2.896
  154   2HG   GLU  22          2HG       GLU  22 -15.700   1.035   1.401
  155    H    SER  23           H        SER  23 -16.917  -2.569   4.862
  156    HA   SER  23           HA       SER  23 -15.984  -1.331   7.243
  157   1HB   SER  23          1HB       SER  23 -18.018  -3.234   6.487
  158   2HB   SER  23          2HB       SER  23 -17.047  -3.954   7.755
  159    HG   SER  23           HG       SER  23 -17.654  -2.402   9.190
  160    H    GLU  24           H        GLU  24 -14.392  -3.107   4.981
  161    HA   GLU  24           HA       GLU  24 -12.743  -4.372   7.026
  162   1HB   GLU  24          1HB       GLU  24 -14.200  -5.919   5.462
  163   2HB   GLU  24          2HB       GLU  24 -12.998  -5.541   4.243
  164   1HG   GLU  24          1HG       GLU  24 -12.235  -7.554   5.304
  165   2HG   GLU  24          2HG       GLU  24 -11.204  -6.277   5.917
  166    H    SER  25           H        SER  25 -10.418  -4.512   6.478
  167    HA   SER  25           HA       SER  25  -9.605  -2.998   4.179
  168   1HB   SER  25          1HB       SER  25  -9.907  -1.615   6.557
  169   2HB   SER  25          2HB       SER  25  -8.223  -2.087   6.646
  170    HG   SER  25           HG       SER  25  -7.850  -1.081   4.591
  171    H    CYS  26           H        CYS  26  -7.554  -3.672   3.433
  172    HA   CYS  26           HA       CYS  26  -6.294  -5.723   5.103
  173   1HB   CYS  26          1HB       CYS  26  -5.293  -6.250   2.667
  174   2HB   CYS  26          2HB       CYS  26  -6.734  -7.001   3.323
  175    H    LEU  27           H        LEU  27  -3.801  -5.895   4.465
  176    HA   LEU  27           HA       LEU  27  -2.623  -3.459   5.145
  177   1HB   LEU  27          1HB       LEU  27  -1.857  -5.970   5.337
  178   2HB   LEU  27          2HB       LEU  27  -1.097  -5.644   3.791
  179    HG   LEU  27           HG       LEU  27   0.318  -3.971   4.711
  180   1HD1  LEU  27          1HD1      LEU  27  -0.898  -2.630   6.120
  181   2HD1  LEU  27          2HD1      LEU  27  -1.605  -4.002   7.005
  182   3HD1  LEU  27          3HD1      LEU  27   0.088  -3.534   7.294
  183   1HD2  LEU  27          1HD2      LEU  27   0.107  -6.435   6.439
  184   2HD2  LEU  27          2HD2      LEU  27   1.252  -6.082   5.122
  185   3HD2  LEU  27          3HD2      LEU  27   1.387  -5.220   6.674
  186    H    VAL  28           H        VAL  28  -3.375  -1.830   3.709
  187    HA   VAL  28           HA       VAL  28  -2.955  -2.142   0.897
  188    HB   VAL  28           HB       VAL  28  -3.809   0.146   2.671
  189   1HG1  VAL  28          1HG1      VAL  28  -4.076   1.560   0.851
  190   2HG1  VAL  28          2HG1      VAL  28  -2.548   0.739   0.453
  191   3HG1  VAL  28          3HG1      VAL  28  -4.064   0.225  -0.326
  192   1HG2  VAL  28          1HG2      VAL  28  -5.181  -2.099   1.714
  193   2HG2  VAL  28          2HG2      VAL  28  -5.890  -0.627   2.419
  194   3HG2  VAL  28          3HG2      VAL  28  -5.695  -0.764   0.656
  195    HA   PRO  29           HA       PRO  29   1.108  -0.658   0.811
  196   1HB   PRO  29          1HB       PRO  29   1.325   0.021  -1.828
  197   2HB   PRO  29          2HB       PRO  29   1.485  -1.624  -1.244
  198   1HG   PRO  29          1HG       PRO  29  -0.783  -0.376  -2.671
  199   2HG   PRO  29          2HG       PRO  29  -0.420  -2.078  -2.461
  200   1HD   PRO  29          1HD       PRO  29  -2.404  -0.560  -1.052
  201   2HD   PRO  29          2HD       PRO  29  -1.962  -2.231  -0.762
  202    H    GLY  30           H        GLY  30   2.382   1.309  -0.534
  203   1HA   GLY  30          1HA       GLY  30   0.800   3.731  -0.101
  204   2HA   GLY  30          2HA       GLY  30   2.219   3.507   0.904
  205    H    ASP  31           H        ASP  31   1.850   5.643  -1.030
  206    HA   ASP  31           HA       ASP  31   3.651   4.838  -3.155
  207   1HB   ASP  31          1HB       ASP  31   2.072   7.426  -2.778
  208   2HB   ASP  31          2HB       ASP  31   3.009   7.011  -4.200
  209    H    CYS  32           H        CYS  32   5.825   5.334  -2.837
  210    HA   CYS  32           HA       CYS  32   6.477   7.268  -0.782
  211   1HB   CYS  32          1HB       CYS  32   7.981   5.110  -2.216
  212   2HB   CYS  32          2HB       CYS  32   8.869   6.418  -1.459
  213    H    CYS  33           H        CYS  33   6.851   9.380  -1.354
  214    HA   CYS  33           HA       CYS  33   7.259   9.958  -4.159
  215   1HB   CYS  33          1HB       CYS  33   6.337  11.462  -1.778
  216   2HB   CYS  33          2HB       CYS  33   7.241  12.383  -2.964
  217    H    ARG  34           H        ARG  34   9.249  10.573  -5.003
  218    HA   ARG  34           HA       ARG  34  11.309  11.196  -3.051
  219   1HB   ARG  34          1HB       ARG  34  11.534   8.823  -3.927
  220   2HB   ARG  34          2HB       ARG  34  11.703   9.469  -5.547
  221   1HG   ARG  34          1HG       ARG  34  13.585  10.953  -4.116
  222   2HG   ARG  34          2HG       ARG  34  13.676   9.386  -3.336
  223   1HD   ARG  34          1HD       ARG  34  15.239   9.228  -5.127
  224   2HD   ARG  34          2HD       ARG  34  13.830   8.375  -5.725
  225    HE   ARG  34           HE       ARG  34  13.539  11.102  -6.475
  226   1HH1  ARG  34          1HH1      ARG  34  15.676   8.370  -7.197
  227   2HH1  ARG  34          2HH1      ARG  34  16.054   8.927  -8.793
  228   1HH2  ARG  34          1HH2      ARG  34  15.080  10.968  -9.585
  229    H    GLY  35           H        GLY  35  11.592  13.391  -3.462
  230   1HA   GLY  35          1HA       GLY  35  11.969  15.302  -4.586
  231   2HA   GLY  35          2HA       GLY  35  12.962  14.324  -5.648
  232    H    LYS  36           H        LYS  36  12.084  13.483  -7.643
  233    HA   LYS  36           HA       LYS  36   9.439  14.542  -8.324
  234   1HB   LYS  36          1HB       LYS  36  10.251  15.299 -10.479
  235   2HB   LYS  36          2HB       LYS  36  11.133  16.096  -9.191
  236   1HG   LYS  36          1HG       LYS  36  13.029  14.527  -9.467
  237   2HG   LYS  36          2HG       LYS  36  12.139  13.622 -10.676
  238   1HD   LYS  36          1HD       LYS  36  12.552  16.590 -11.095
  239   2HD   LYS  36          2HD       LYS  36  13.895  15.504 -11.392
  240   1HE   LYS  36          1HE       LYS  36  12.532  14.199 -12.999
  241   2HE   LYS  36          2HE       LYS  36  11.129  15.189 -12.652
  242   1HZ   LYS  36          1HZ       LYS  36  13.346  16.822 -13.377
  243   2HZ   LYS  36          2HZ       LYS  36  13.066  15.721 -14.544
  244    H    SER  37           H        SER  37   9.795  11.975  -7.369
  245    HA   SER  37           HA       SER  37   9.057  10.514  -9.703
  246   1HB   SER  37          1HB       SER  37  11.660  10.027  -8.281
  247   2HB   SER  37          2HB       SER  37  10.753   8.618  -8.794
  248    HG   SER  37           HG       SER  37  10.890  10.572 -10.781
  249    H    ARG  38           H        ARG  38   7.303   9.291  -9.099
  250    HA   ARG  38           HA       ARG  38   6.974   8.867  -6.259
  251   1HB   ARG  38          1HB       ARG  38   4.587   8.151  -7.084
  252   2HB   ARG  38          2HB       ARG  38   5.009   9.850  -7.150
  253   1HG   ARG  38          1HG       ARG  38   5.196   9.869  -9.478
  254   2HG   ARG  38          2HG       ARG  38   5.678   8.186  -9.566
  255   1HD   ARG  38          1HD       ARG  38   2.860   9.084  -8.797
  256   2HD   ARG  38          2HD       ARG  38   3.326   8.678 -10.436
  257    HE   ARG  38           HE       ARG  38   4.054   6.565  -8.579
  258   1HH1  ARG  38          1HH1      ARG  38   1.329   7.907 -10.401
  259   2HH1  ARG  38          2HH1      ARG  38   0.457   6.410 -10.440
  260   1HH2  ARG  38          1HH2      ARG  38   1.404   4.474  -9.391
  261    H    LEU  39           H        LEU  39   6.445   6.735  -5.399
  262    HA   LEU  39           HA       LEU  39   6.738   4.519  -7.274
  263   1HB   LEU  39          1HB       LEU  39   8.969   5.169  -6.249
  264   2HB   LEU  39          2HB       LEU  39   8.316   4.648  -4.708
  265    HG   LEU  39           HG       LEU  39   7.978   2.623  -6.792
  266   1HD1  LEU  39          1HD1      LEU  39  10.695   3.802  -6.322
  267   2HD1  LEU  39          2HD1      LEU  39  10.526   2.052  -6.599
  268   3HD1  LEU  39          3HD1      LEU  39   9.951   3.206  -7.825
  269   1HD2  LEU  39          1HD2      LEU  39   8.990   2.781  -3.971
  270   2HD2  LEU  39          2HD2      LEU  39   7.629   1.854  -4.645
  271   3HD2  LEU  39          3HD2      LEU  39   9.301   1.329  -4.951
  272    H    THR  40           H        THR  40   6.041   2.414  -6.240
  273    HA   THR  40           HA       THR  40   4.222   2.859  -3.984
  274    HB   THR  40           HB       THR  40   3.573   1.779  -6.763
  275    HG1  THR  40           1HG      THR  40   2.074   3.511  -6.549
  276   1HG2  THR  40          1HG2      THR  40   1.717   0.640  -5.982
  277   2HG2  THR  40          2HG2      THR  40   2.680   0.483  -4.493
  278   3HG2  THR  40          3HG2      THR  40   1.471   1.782  -4.639
  279    H    LEU  41           H        LEU  41   4.861   1.564  -2.389
  280    HA   LEU  41           HA       LEU  41   5.304  -1.219  -3.007
  281   1HB   LEU  41          1HB       LEU  41   7.493  -1.378  -2.620
  282   2HB   LEU  41          2HB       LEU  41   7.504   0.296  -3.136
  283    HG   LEU  41           HG       LEU  41   7.043   0.542  -0.431
  284   1HD1  LEU  41          1HD1      LEU  41   9.252  -1.475  -0.522
  285   2HD1  LEU  41          2HD1      LEU  41   8.197  -0.986   0.826
  286   3HD1  LEU  41          3HD1      LEU  41   7.565  -2.040  -0.461
  287   1HD2  LEU  41          1HD2      LEU  41   9.187   1.041  -2.321
  288   2HD2  LEU  41          2HD2      LEU  41   8.650   1.997  -0.919
  289   3HD2  LEU  41          3HD2      LEU  41   9.818   0.672  -0.698
  290    H    CYS  42           H        CYS  42   5.697  -2.445  -0.828
  291    HA   CYS  42           HA       CYS  42   3.821  -1.259   1.059
  292   1HB   CYS  42          1HB       CYS  42   4.786  -4.116   0.819
  293   2HB   CYS  42          2HB       CYS  42   3.589  -3.530   1.957
  294    H    SER  43           H        SER  43   4.562  -0.521   3.034
  295    HA   SER  43           HA       SER  43   6.869  -1.693   4.201
  296   1HB   SER  43          1HB       SER  43   7.827   0.830   4.394
  297   2HB   SER  43          2HB       SER  43   8.318  -0.275   3.126
  298    HG   SER  43           HG       SER  43   6.857   2.081   2.949
  299    H    TYR  44           H        TYR  44   5.909  -2.016   6.189
  300    HA   TYR  44           HA       TYR  44   4.327   0.192   7.291
  301   1HB   TYR  44          1HB       TYR  44   4.620  -2.564   8.525
  302   2HB   TYR  44          2HB       TYR  44   3.178  -1.574   8.419
  303    HD1  TYR  44           1HD      TYR  44   4.398  -4.580   7.415
  304    HD2  TYR  44           2HD      TYR  44   2.636  -1.084   5.690
  305    HE1  TYR  44           1HE      TYR  44   3.593  -5.954   5.433
  306    HE2  TYR  44           2HE      TYR  44   1.839  -2.468   3.714
  307    HH   TYR  44           HH       TYR  44   2.768  -5.859   3.396
  308    H    GLY  45           H        GLY  45   4.549   0.644   9.646
  309   1HA   GLY  45          1HA       GLY  45   7.122  -0.145  10.805
  310   2HA   GLY  45          2HA       GLY  45   6.833   1.561  10.528
  311    H    GLU  46           H        GLU  46   5.196  -1.346  11.973
  312    HA   GLU  46           HA       GLU  46   3.265  -0.266  13.382
  313   1HB   GLU  46          1HB       GLU  46   3.845  -1.981  15.224
  314   2HB   GLU  46          2HB       GLU  46   3.608  -2.602  13.602
  315   1HG   GLU  46          1HG       GLU  46   6.285  -2.091  13.481
  316   2HG   GLU  46          2HG       GLU  46   6.136  -2.379  15.203
  317    H    GLY  47           H        GLY  47   2.915   0.941  15.288
  318   1HA   GLY  47          1HA       GLY  47   3.390   2.323  17.001
  319   2HA   GLY  47          2HA       GLY  47   4.967   1.571  17.135
  320    H    GLY  48           H        GLY  48   3.072   4.128  15.494
  321   1HA   GLY  48          1HA       GLY  48   4.516   6.241  15.534
  322   2HA   GLY  48          2HA       GLY  48   5.575   5.318  14.487
  323    H    ASN  49           H        ASN  49   4.452   4.261  12.491
  324    HA   ASN  49           HA       ASN  49   2.138   5.736  11.641
  325   1HB   ASN  49          1HB       ASN  49   4.492   6.871  10.955
  326   2HB   ASN  49          2HB       ASN  49   4.461   5.648   9.700
  327   1HD2  ASN  49          1HD2      ASN  49   2.427   8.114  11.252
  328   2HD2  ASN  49          2HD2      ASN  49   1.585   8.636   9.831
  329    H    GLY  50           H        GLY  50   0.843   4.006  10.991
  330   1HA   GLY  50          1HA       GLY  50   1.361   1.450  10.599
  331   2HA   GLY  50          2HA       GLY  50   0.209   2.308   9.596
  332    H    PHE  51           H        PHE  51   1.936   4.000   8.086
  333    HA   PHE  51           HA       PHE  51   3.328   1.962   6.509
  334   1HB   PHE  51          1HB       PHE  51   1.403   3.260   5.488
  335   2HB   PHE  51          2HB       PHE  51   2.216   4.763   5.878
  336    HD1  PHE  51           1HD      PHE  51   3.083   5.810   4.030
  337    HD2  PHE  51           2HD      PHE  51   3.223   1.572   4.199
  338    HE1  PHE  51           1HE      PHE  51   4.243   5.760   1.805
  339    HE2  PHE  51           2HE      PHE  51   4.382   1.522   1.973
  340    HZ   PHE  51           HZ       PHE  51   4.879   3.616   0.803
  341    H    GLN  52           H        GLN  52   5.417   2.461   5.579
  342    HA   GLN  52           HA       GLN  52   6.685   4.822   6.670
  343   1HB   GLN  52          1HB       GLN  52   7.051   2.534   8.030
  344   2HB   GLN  52          2HB       GLN  52   8.247   2.252   6.780
  345   1HG   GLN  52          1HG       GLN  52   9.511   4.188   7.373
  346   2HG   GLN  52          2HG       GLN  52   8.174   4.909   8.248
  347   1HE2  GLN  52          1HE2      GLN  52   9.593   5.182  10.012
  348   2HE2  GLN  52          2HE2      GLN  52   9.965   3.886  11.099
  349    H    CYS  53           H        CYS  53   8.600   5.499   5.450
  350    HA   CYS  53           HA       CYS  53   8.690   4.214   2.817
  351   1HB   CYS  53          1HB       CYS  53   8.536   7.052   3.631
  352   2HB   CYS  53          2HB       CYS  53   9.694   6.698   2.363
  353    HA   PRO  54           HA       PRO  54  12.920   3.623   3.679
  354   1HB   PRO  54          1HB       PRO  54  13.962   3.375   1.164
  355   2HB   PRO  54          2HB       PRO  54  13.131   2.071   1.990
  356   1HG   PRO  54          1HG       PRO  54  12.163   3.783  -0.217
  357   2HG   PRO  54          2HG       PRO  54  11.542   2.237   0.327
  358   1HD   PRO  54          1HD       PRO  54  10.404   4.819   0.841
  359   2HD   PRO  54          2HD       PRO  54   9.851   3.284   1.479
  360    H    THR  55           H        THR  55  15.248   4.361   3.130
  361    HA   THR  55           HA       THR  55  15.269   7.128   3.625
  362    HB   THR  55           HB       THR  55  17.371   5.061   2.817
  363    HG1  THR  55           1HG      THR  55  16.712   6.617   5.219
  364   1HG2  THR  55          1HG2      THR  55  18.269   7.282   2.187
  365   2HG2  THR  55          2HG2      THR  55  17.716   7.965   3.734
  366   3HG2  THR  55          3HG2      THR  55  19.021   6.754   3.711
  367    H    GLY  56           H        GLY  56  15.359   8.906   2.365
  368   1HA   GLY  56          1HA       GLY  56  15.842  10.103   0.451
  369   2HA   GLY  56          2HA       GLY  56  16.057   8.616  -0.452
  370    H    TYR  57           H        TYR  57  13.308   7.955   1.235
  371    HA   TYR  57           HA       TYR  57  11.604   9.131  -0.858
  372   1HB   TYR  57          1HB       TYR  57  11.681   6.493   0.712
  373   2HB   TYR  57          2HB       TYR  57  10.206   6.997  -0.089
  374    HD1  TYR  57           1HD      TYR  57  10.224   7.314  -2.613
  375    HD2  TYR  57           2HD      TYR  57  13.445   5.456  -0.498
  376    HE1  TYR  57           1HE      TYR  57  11.052   6.268  -4.778
  377    HE2  TYR  57           2HE      TYR  57  14.262   4.417  -2.669
  378    HH   TYR  57           HH       TYR  57  13.678   3.937  -4.765
  379    H    ARG  58           H        ARG  58   9.360   9.627  -0.218
  380    HA   ARG  58           HA       ARG  58   8.912   9.758   2.610
  381   1HB   ARG  58          1HB       ARG  58   9.463  12.155   0.889
  382   2HB   ARG  58          2HB       ARG  58   8.110  12.310   1.991
  383   1HG   ARG  58          1HG       ARG  58   9.641  12.842   3.586
  384   2HG   ARG  58          2HG       ARG  58  10.057  11.140   3.611
  385   1HD   ARG  58          1HD       ARG  58  12.163  11.998   3.151
  386   2HD   ARG  58          2HD       ARG  58  11.585  11.845   1.503
  387    HE   ARG  58           HE       ARG  58  10.753  14.393   2.480
  388   1HH1  ARG  58          1HH1      ARG  58  13.750  12.705   1.628
  389   2HH1  ARG  58          2HH1      ARG  58  14.594  14.159   1.207
  390   1HH2  ARG  58          1HH2      ARG  58  13.468  16.266   1.389
  391    H    GLN  59           H        GLN  59   6.765   9.245   2.981
  392    HA   GLN  59           HA       GLN  59   5.072   8.361   1.190
  393   1HB   GLN  59          1HB       GLN  59   4.756   8.465   3.705
  394   2HB   GLN  59          2HB       GLN  59   4.172  10.106   3.523
  395   1HG   GLN  59          1HG       GLN  59   2.625   8.800   1.645
  396   2HG   GLN  59          2HG       GLN  59   2.833   7.531   2.836
  397   1HE2  GLN  59          1HE2      GLN  59   2.126  11.010   2.600
  398   2HE2  GLN  59          2HE2      GLN  59   0.930  11.080   3.851
  399    H    CYS  60           H        CYS  60   3.467   9.096  -0.267
  400    HA   CYS  60           HA       CYS  60   3.914  11.745  -1.234
  401   1HB   CYS  60          1HB       CYS  60   2.190   9.442  -2.116
  402   2HB   CYS  60          2HB       CYS  60   2.023  11.029  -2.839
  Start of MODEL    6
    1   1H    ASP   1          1H        ASP   1 -19.200  -9.124  -6.188
    2    HA   ASP   1           HA       ASP   1 -21.309  -8.290  -7.019
    3   1HB   ASP   1          1HB       ASP   1 -22.179 -10.707  -5.585
    4   2HB   ASP   1          2HB       ASP   1 -23.095  -9.305  -5.073
    5    H    ARG   2           H        ARG   2 -20.768  -9.489  -3.616
    6    HA   ARG   2           HA       ARG   2 -21.305  -6.811  -2.676
    7   1HB   ARG   2          1HB       ARG   2 -20.643  -9.092  -0.809
    8   2HB   ARG   2          2HB       ARG   2 -21.769  -7.769  -0.575
    9   1HG   ARG   2          1HG       ARG   2 -23.038  -8.926  -2.641
   10   2HG   ARG   2          2HG       ARG   2 -22.155 -10.342  -2.106
   11   1HD   ARG   2          1HD       ARG   2 -23.587  -8.726  -0.001
   12   2HD   ARG   2          2HD       ARG   2 -24.571  -9.691  -1.084
   13    HE   ARG   2           HE       ARG   2 -22.532 -11.421  -0.262
   14   1HH1  ARG   2          1HH1      ARG   2 -25.030  -9.514   1.375
   15   2HH1  ARG   2          2HH1      ARG   2 -25.164 -10.608   2.713
   16   1HH2  ARG   2          1HH2      ARG   2 -23.789 -12.571   2.765
   17    H    CYS   3           H        CYS   3 -19.787  -5.832  -1.031
   18    HA   CYS   3           HA       CYS   3 -17.802  -5.361  -0.182
   19   1HB   CYS   3          1HB       CYS   3 -16.323  -6.962   0.325
   20   2HB   CYS   3          2HB       CYS   3 -17.594  -8.033  -0.233
   21    H    ARG   4           H        ARG   4 -15.701  -4.413  -0.990
   22    HA   ARG   4           HA       ARG   4 -15.896  -4.010  -3.866
   23   1HB   ARG   4          1HB       ARG   4 -16.038  -2.086  -1.922
   24   2HB   ARG   4          2HB       ARG   4 -14.303  -2.104  -2.175
   25   1HG   ARG   4          1HG       ARG   4 -15.195  -2.113  -4.785
   26   2HG   ARG   4          2HG       ARG   4 -16.477  -1.204  -4.010
   27   1HD   ARG   4          1HD       ARG   4 -14.998   0.537  -4.453
   28   2HD   ARG   4          2HD       ARG   4 -14.434   0.090  -2.857
   29    HE   ARG   4           HE       ARG   4 -13.021  -1.543  -4.685
   30   1HH1  ARG   4          1HH1      ARG   4 -13.303   1.912  -3.953
   31   2HH1  ARG   4          2HH1      ARG   4 -11.700   2.285  -4.491
   32   1HH2  ARG   4          1HH2      ARG   4 -10.307   0.527  -5.336
   33    H    TYR   5           H        TYR   5 -14.468  -5.607  -4.647
   34    HA   TYR   5           HA       TYR   5 -12.217  -6.566  -3.466
   35   1HB   TYR   5          1HB       TYR   5 -13.185  -5.996  -6.302
   36   2HB   TYR   5          2HB       TYR   5 -11.557  -6.617  -6.113
   37    HD1  TYR   5           1HD      TYR   5 -14.975  -7.489  -6.461
   38    HD2  TYR   5           2HD      TYR   5 -11.320  -8.808  -4.672
   39    HE1  TYR   5           1HE      TYR   5 -15.886  -9.859  -6.331
   40    HE2  TYR   5           2HE      TYR   5 -12.243 -11.174  -4.547
   41    HH   TYR   5           HH       TYR   5 -13.836 -12.528  -5.389
   42    H    THR   6           H        THR   6 -10.424  -5.580  -2.688
   43    HA   THR   6           HA       THR   6  -9.378  -3.307  -4.245
   44    HB   THR   6           HB       THR   6  -9.070  -3.582  -1.235
   45    HG1  THR   6           1HG      THR   6 -11.201  -2.926  -1.063
   46   1HG2  THR   6          1HG2      THR   6  -8.784  -1.468  -3.332
   47   2HG2  THR   6          2HG2      THR   6  -9.623  -0.952  -1.850
   48   3HG2  THR   6          3HG2      THR   6  -7.972  -1.610  -1.756
   49    H    LEU   7           H        LEU   7  -6.993  -2.927  -3.855
   50    HA   LEU   7           HA       LEU   7  -5.705  -5.556  -3.844
   51   1HB   LEU   7          1HB       LEU   7  -5.083  -2.934  -5.167
   52   2HB   LEU   7          2HB       LEU   7  -3.824  -4.127  -4.916
   53    HG   LEU   7           HG       LEU   7  -6.232  -5.260  -6.150
   54   1HD1  LEU   7          1HD1      LEU   7  -4.720  -3.103  -7.650
   55   2HD1  LEU   7          2HD1      LEU   7  -5.908  -4.225  -8.354
   56   3HD1  LEU   7          3HD1      LEU   7  -6.421  -3.040  -7.130
   57   1HD2  LEU   7          1HD2      LEU   7  -4.170  -6.506  -6.009
   58   2HD2  LEU   7          2HD2      LEU   7  -4.547  -6.180  -7.717
   59   3HD2  LEU   7          3HD2      LEU   7  -3.293  -5.230  -6.885
   60    H    CYS   8           H        CYS   8  -4.955  -6.099  -1.860
   61    HA   CYS   8           HA       CYS   8  -3.560  -3.975  -0.402
   62   1HB   CYS   8          1HB       CYS   8  -5.171  -6.224   0.821
   63   2HB   CYS   8          2HB       CYS   8  -4.275  -4.996   1.693
   64    H    CYS   9           H        CYS   9  -1.837  -4.941   1.116
   65    HA   CYS   9           HA       CYS   9  -0.413  -6.950  -0.373
   66   1HB   CYS   9          1HB       CYS   9   0.240  -4.984   1.759
   67   2HB   CYS   9          2HB       CYS   9   1.199  -6.449   1.717
   68    H    ASP  10           H        ASP  10   0.391  -8.951   0.664
   69    HA   ASP  10           HA       ASP  10  -1.483  -9.833   2.701
   70   1HB   ASP  10          1HB       ASP  10   0.083 -11.187   0.508
   71   2HB   ASP  10          2HB       ASP  10  -0.282 -12.130   1.938
   72    H    GLY  11           H        GLY  11   1.415  -8.363   2.615
   73   1HA   GLY  11          1HA       GLY  11   2.964  -8.178   4.288
   74   2HA   GLY  11          2HA       GLY  11   2.377  -9.657   5.022
   75    H    ALA  12           H        ALA  12   2.504 -11.054   2.269
   76    HA   ALA  12           HA       ALA  12   5.300 -11.793   2.522
   77   1HB   ALA  12          1HB       ALA  12   4.365 -13.497   0.694
   78   2HB   ALA  12          2HB       ALA  12   4.023 -13.716   2.427
   79   3HB   ALA  12          3HB       ALA  12   2.799 -12.981   1.363
   80    H    LEU  13           H        LEU  13   5.053  -9.177   1.594
   81    HA   LEU  13           HA       LEU  13   5.212  -7.847  -0.233
   82   1HB   LEU  13          1HB       LEU  13   7.509  -9.792  -0.468
   83   2HB   LEU  13          2HB       LEU  13   7.406  -8.288  -1.363
   84    HG   LEU  13           HG       LEU  13   8.850  -8.026   0.558
   85   1HD1  LEU  13          1HD1      LEU  13   7.902  -6.042   1.530
   86   2HD1  LEU  13          2HD1      LEU  13   7.436  -6.118  -0.186
   87   3HD1  LEU  13          3HD1      LEU  13   6.257  -6.549   1.076
   88   1HD2  LEU  13          1HD2      LEU  13   6.614  -8.413   2.506
   89   2HD2  LEU  13          2HD2      LEU  13   7.454  -9.844   1.863
   90   3HD2  LEU  13          3HD2      LEU  13   8.371  -8.586   2.726
   91    H    LYS  14           H        LYS  14   3.073  -9.276  -0.880
   92    HA   LYS  14           HA       LYS  14   3.445  -9.676  -3.710
   93   1HB   LYS  14          1HB       LYS  14   3.784 -11.913  -2.246
   94   2HB   LYS  14          2HB       LYS  14   2.038 -11.942  -2.387
   95   1HG   LYS  14          1HG       LYS  14   3.082 -13.165  -4.268
   96   2HG   LYS  14          2HG       LYS  14   2.198 -11.770  -4.854
   97   1HD   LYS  14          1HD       LYS  14   4.888 -10.915  -4.245
   98   2HD   LYS  14          2HD       LYS  14   4.996 -12.384  -5.195
   99   1HE   LYS  14          1HE       LYS  14   2.939 -10.553  -6.247
  100   2HE   LYS  14          2HE       LYS  14   4.516  -9.791  -6.183
  101   1HZ   LYS  14          1HZ       LYS  14   5.187 -12.142  -7.224
  102   2HZ   LYS  14          2HZ       LYS  14   3.662 -12.068  -7.790
  103    H    ALA  15           H        ALA  15   2.208  -7.652  -3.589
  104    HA   ALA  15           HA       ALA  15  -0.210  -7.365  -2.317
  105   1HB   ALA  15          1HB       ALA  15   1.240  -5.660  -3.580
  106   2HB   ALA  15          2HB       ALA  15   0.434  -6.235  -5.059
  107   3HB   ALA  15          3HB       ALA  15  -0.523  -5.494  -3.754
  108    H    VAL  16           H        VAL  16  -2.342  -7.926  -2.752
  109    HA   VAL  16           HA       VAL  16  -2.947  -9.189  -5.282
  110    HB   VAL  16           HB       VAL  16  -2.016 -10.961  -3.762
  111   1HG1  VAL  16          1HG1      VAL  16  -2.676 -10.990  -1.629
  112   2HG1  VAL  16          2HG1      VAL  16  -3.970  -9.812  -1.956
  113   3HG1  VAL  16          3HG1      VAL  16  -4.269 -11.551  -2.189
  114   1HG2  VAL  16          1HG2      VAL  16  -3.614 -11.361  -5.674
  115   2HG2  VAL  16          2HG2      VAL  16  -3.633 -12.604  -4.400
  116   3HG2  VAL  16          3HG2      VAL  16  -4.931 -11.388  -4.477
  117    H    SER  17           H        SER  17  -5.376  -9.646  -5.409
  118    HA   SER  17           HA       SER  17  -6.674  -7.386  -4.206
  119   1HB   SER  17          1HB       SER  17  -8.152  -9.323  -5.965
  120   2HB   SER  17          2HB       SER  17  -8.259  -7.574  -5.904
  121    HG   SER  17           HG       SER  17  -5.893  -7.735  -6.756
  122    H    ALA  18           H        ALA  18  -8.174  -7.501  -2.538
  123    HA   ALA  18           HA       ALA  18  -9.003 -10.204  -1.731
  124   1HB   ALA  18          1HB       ALA  18  -8.154  -9.870   0.328
  125   2HB   ALA  18          2HB       ALA  18  -7.310  -8.452  -0.340
  126   3HB   ALA  18          3HB       ALA  18  -8.897  -8.256   0.441
  127    H    CYS  19           H        CYS  19 -11.117 -10.285  -0.626
  128    HA   CYS  19           HA       CYS  19 -12.857  -8.242  -1.744
  129   1HB   CYS  19          1HB       CYS  19 -13.438 -10.501  -2.312
  130   2HB   CYS  19          2HB       CYS  19 -13.404 -10.998  -0.631
  131    H    LEU  20           H        LEU  20 -12.288  -6.568  -0.165
  132    HA   LEU  20           HA       LEU  20 -13.272  -7.180   2.536
  133   1HB   LEU  20          1HB       LEU  20 -10.808  -6.061   1.622
  134   2HB   LEU  20          2HB       LEU  20 -11.684  -4.822   2.499
  135    HG   LEU  20           HG       LEU  20 -11.988  -6.756   4.288
  136   1HD1  LEU  20          1HD1      LEU  20 -10.743  -8.587   4.084
  137   2HD1  LEU  20          2HD1      LEU  20 -10.405  -8.081   2.411
  138   3HD1  LEU  20          3HD1      LEU  20  -9.281  -7.640   3.719
  139   1HD2  LEU  20          1HD2      LEU  20 -10.784  -4.507   4.442
  140   2HD2  LEU  20          2HD2      LEU  20 -10.251  -5.800   5.543
  141   3HD2  LEU  20          3HD2      LEU  20  -9.292  -5.413   4.093
  142    H    HIS  21           H        HIS  21 -14.369  -5.344   3.655
  143    HA   HIS  21           HA       HIS  21 -16.006  -3.941   1.699
  144   1HB   HIS  21          1HB       HIS  21 -16.523  -4.105   4.665
  145   2HB   HIS  21          2HB       HIS  21 -17.660  -3.766   3.375
  146    HD1  HIS  21           1HD      HIS  21 -18.088  -5.907   1.666
  147    HD2  HIS  21           2HD      HIS  21 -16.463  -6.734   5.444
  148    HE1  HIS  21           1HE      HIS  21 -18.465  -8.396   2.076
  149    H    GLU  22           H        GLU  22 -16.793  -1.661   2.597
  150    HA   GLU  22           HA       GLU  22 -14.491  -0.086   2.644
  151   1HB   GLU  22          1HB       GLU  22 -17.378   0.289   2.475
  152   2HB   GLU  22          2HB       GLU  22 -16.677   1.494   3.539
  153   1HG   GLU  22          1HG       GLU  22 -16.539   2.468   1.368
  154   2HG   GLU  22          2HG       GLU  22 -14.912   1.904   1.697
  155    H    SER  23           H        SER  23 -16.612  -1.427   5.165
  156    HA   SER  23           HA       SER  23 -15.583   0.292   7.178
  157   1HB   SER  23          1HB       SER  23 -17.725  -1.616   6.901
  158   2HB   SER  23          2HB       SER  23 -16.774  -2.081   8.296
  159    HG   SER  23           HG       SER  23 -18.319   0.263   7.853
  160    H    GLU  24           H        GLU  24 -14.097  -2.037   5.407
  161    HA   GLU  24           HA       GLU  24 -12.546  -2.932   7.710
  162   1HB   GLU  24          1HB       GLU  24 -14.031  -4.640   6.267
  163   2HB   GLU  24          2HB       GLU  24 -12.646  -4.588   5.194
  164   1HG   GLU  24          1HG       GLU  24 -11.159  -5.125   7.188
  165   2HG   GLU  24          2HG       GLU  24 -12.604  -5.321   8.159
  166    H    SER  25           H        SER  25 -10.231  -3.059   7.413
  167    HA   SER  25           HA       SER  25  -9.326  -1.827   4.934
  168   1HB   SER  25          1HB       SER  25  -9.285  -0.602   7.477
  169   2HB   SER  25          2HB       SER  25  -7.639  -1.155   7.238
  170    HG   SER  25           HG       SER  25  -9.180   0.648   5.600
  171    H    CYS  26           H        CYS  26  -7.110  -2.437   4.303
  172    HA   CYS  26           HA       CYS  26  -6.085  -4.725   5.808
  173   1HB   CYS  26          1HB       CYS  26  -5.385  -5.422   3.301
  174   2HB   CYS  26          2HB       CYS  26  -6.799  -6.027   4.143
  175    H    LEU  27           H        LEU  27  -3.696  -5.173   4.950
  176    HA   LEU  27           HA       LEU  27  -2.222  -2.850   5.407
  177   1HB   LEU  27          1HB       LEU  27  -1.661  -5.371   5.691
  178   2HB   LEU  27          2HB       LEU  27  -1.121  -5.276   4.026
  179    HG   LEU  27           HG       LEU  27  -0.081  -3.326   6.070
  180   1HD1  LEU  27          1HD1      LEU  27   0.229  -6.145   6.257
  181   2HD1  LEU  27          2HD1      LEU  27   1.784  -5.460   5.729
  182   3HD1  LEU  27          3HD1      LEU  27   1.013  -4.871   7.221
  183   1HD2  LEU  27          1HD2      LEU  27   1.533  -2.821   4.550
  184   2HD2  LEU  27          2HD2      LEU  27   1.564  -4.462   3.862
  185   3HD2  LEU  27          3HD2      LEU  27   0.254  -3.339   3.426
  186    H    VAL  28           H        VAL  28  -2.846  -1.168   4.007
  187    HA   VAL  28           HA       VAL  28  -2.761  -1.625   1.169
  188    HB   VAL  28           HB       VAL  28  -4.216  -0.011   2.726
  189   1HG1  VAL  28          1HG1      VAL  28  -3.438   2.117   3.030
  190   2HG1  VAL  28          2HG1      VAL  28  -1.887   1.248   3.098
  191   3HG1  VAL  28          3HG1      VAL  28  -2.386   2.059   1.595
  192   1HG2  VAL  28          1HG2      VAL  28  -4.027  -0.503   0.064
  193   2HG2  VAL  28          2HG2      VAL  28  -5.147   0.680   0.781
  194   3HG2  VAL  28          3HG2      VAL  28  -3.594   1.223   0.103
  195    HA   PRO  29           HA       PRO  29   1.376  -0.485   0.643
  196   1HB   PRO  29          1HB       PRO  29   1.382   0.241  -1.992
  197   2HB   PRO  29          2HB       PRO  29   1.440  -1.427  -1.458
  198   1HG   PRO  29          1HG       PRO  29  -0.833   0.072  -2.612
  199   2HG   PRO  29          2HG       PRO  29  -0.618  -1.663  -2.471
  200   1HD   PRO  29          1HD       PRO  29  -2.285   0.000  -0.832
  201   2HD   PRO  29          2HD       PRO  29  -1.981  -1.712  -0.620
  202    H    GLY  30           H        GLY  30   2.734   1.371  -0.711
  203   1HA   GLY  30          1HA       GLY  30   1.439   3.930  -0.150
  204   2HA   GLY  30          2HA       GLY  30   2.880   3.542   0.769
  205    H    ASP  31           H        ASP  31   2.243   5.596  -1.449
  206    HA   ASP  31           HA       ASP  31   4.186   4.698  -3.407
  207   1HB   ASP  31          1HB       ASP  31   2.460   7.212  -3.476
  208   2HB   ASP  31          2HB       ASP  31   3.343   6.510  -4.817
  209    H    CYS  32           H        CYS  32   6.243   5.204  -2.542
  210    HA   CYS  32           HA       CYS  32   6.563   7.700  -1.126
  211   1HB   CYS  32          1HB       CYS  32   8.377   5.343  -1.628
  212   2HB   CYS  32          2HB       CYS  32   8.961   6.834  -0.914
  213    H    CYS  33           H        CYS  33   7.098   9.553  -2.227
  214    HA   CYS  33           HA       CYS  33   8.360   9.195  -4.845
  215   1HB   CYS  33          1HB       CYS  33   6.296  11.064  -3.824
  216   2HB   CYS  33          2HB       CYS  33   7.487  11.747  -4.911
  217    H    ARG  34           H        ARG  34  10.312  10.321  -5.256
  218    HA   ARG  34           HA       ARG  34  11.232  12.044  -3.118
  219   1HB   ARG  34          1HB       ARG  34  12.179   9.661  -2.887
  220   2HB   ARG  34          2HB       ARG  34  13.007   9.917  -4.411
  221   1HG   ARG  34          1HG       ARG  34  13.325  11.819  -2.050
  222   2HG   ARG  34          2HG       ARG  34  14.353  10.416  -2.262
  223   1HD   ARG  34          1HD       ARG  34  14.218  12.937  -3.903
  224   2HD   ARG  34          2HD       ARG  34  15.624  12.040  -3.366
  225    HE   ARG  34           HE       ARG  34  14.174  11.639  -5.844
  226   1HH1  ARG  34          1HH1      ARG  34  16.060   9.918  -3.388
  227   2HH1  ARG  34          2HH1      ARG  34  16.554   8.660  -4.470
  228   1HH2  ARG  34          1HH2      ARG  34  15.817   8.715  -6.749
  229    H    GLY  35           H        GLY  35  12.084  13.943  -3.948
  230   1HA   GLY  35          1HA       GLY  35  12.702  15.474  -5.477
  231   2HA   GLY  35          2HA       GLY  35  13.775  14.231  -6.087
  232    H    LYS  36           H        LYS  36  13.206  12.989  -7.945
  233    HA   LYS  36           HA       LYS  36  10.674  13.745  -9.207
  234   1HB   LYS  36          1HB       LYS  36  11.781  14.055 -11.348
  235   2HB   LYS  36          2HB       LYS  36  12.422  15.173 -10.161
  236   1HG   LYS  36          1HG       LYS  36  14.443  13.895  -9.884
  237   2HG   LYS  36          2HG       LYS  36  13.763  12.492 -10.682
  238   1HD   LYS  36          1HD       LYS  36  14.207  13.303 -12.784
  239   2HD   LYS  36          2HD       LYS  36  13.739  14.939 -12.364
  240   1HE   LYS  36          1HE       LYS  36  16.087  14.507 -10.863
  241   2HE   LYS  36          2HE       LYS  36  16.419  13.715 -12.391
  242   1HZ   LYS  36          1HZ       LYS  36  16.679  15.726 -13.323
  243   2HZ   LYS  36          2HZ       LYS  36  15.179  16.199 -12.903
  244    H    SER  37           H        SER  37  10.854  11.482  -7.703
  245    HA   SER  37           HA       SER  37  10.673   9.502  -9.769
  246   1HB   SER  37          1HB       SER  37  12.785   9.476  -7.635
  247   2HB   SER  37          2HB       SER  37  12.011   7.947  -8.002
  248    HG   SER  37           HG       SER  37  12.515   8.865 -10.389
  249    H    ARG  38           H        ARG  38   9.473   7.549  -9.004
  250    HA   ARG  38           HA       ARG  38   8.172   8.018  -6.449
  251   1HB   ARG  38          1HB       ARG  38   6.591   8.767  -8.174
  252   2HB   ARG  38          2HB       ARG  38   6.829   7.299  -9.100
  253   1HG   ARG  38          1HG       ARG  38   5.895   5.966  -7.171
  254   2HG   ARG  38          2HG       ARG  38   5.595   7.463  -6.310
  255   1HD   ARG  38          1HD       ARG  38   3.508   7.129  -7.313
  256   2HD   ARG  38          2HD       ARG  38   4.274   8.148  -8.515
  257    HE   ARG  38           HE       ARG  38   4.955   5.495  -9.200
  258   1HH1  ARG  38          1HH1      ARG  38   1.996   7.421  -8.913
  259   2HH1  ARG  38          2HH1      ARG  38   1.138   6.510 -10.111
  260   1HH2  ARG  38          1HH2      ARG  38   2.234   4.675 -11.197
  261    H    LEU  39           H        LEU  39   7.331   6.018  -5.425
  262    HA   LEU  39           HA       LEU  39   8.003   3.523  -6.716
  263   1HB   LEU  39          1HB       LEU  39  10.126   4.079  -5.760
  264   2HB   LEU  39          2HB       LEU  39   9.397   4.481  -4.218
  265    HG   LEU  39           HG       LEU  39   8.683   2.064  -4.020
  266   1HD1  LEU  39          1HD1      LEU  39  10.131   1.945  -6.621
  267   2HD1  LEU  39          2HD1      LEU  39  10.348   0.589  -5.489
  268   3HD1  LEU  39          3HD1      LEU  39   8.716   1.032  -6.045
  269   1HD2  LEU  39          1HD2      LEU  39  11.422   1.504  -3.962
  270   2HD2  LEU  39          2HD2      LEU  39  11.300   3.256  -3.678
  271   3HD2  LEU  39          3HD2      LEU  39  10.414   2.121  -2.631
  272    H    THR  40           H        THR  40   6.098   2.472  -6.542
  273    HA   THR  40           HA       THR  40   4.554   2.877  -4.077
  274    HB   THR  40           HB       THR  40   3.657   1.637  -6.723
  275    HG1  THR  40           1HG      THR  40   3.545   3.750  -7.423
  276   1HG2  THR  40          1HG2      THR  40   1.776   1.386  -5.400
  277   2HG2  THR  40          2HG2      THR  40   2.362   2.549  -4.187
  278   3HG2  THR  40          3HG2      THR  40   1.588   3.135  -5.679
  279    H    LEU  41           H        LEU  41   5.242   1.484  -2.539
  280    HA   LEU  41           HA       LEU  41   4.855  -1.314  -3.130
  281   1HB   LEU  41          1HB       LEU  41   6.955  -2.045  -3.033
  282   2HB   LEU  41          2HB       LEU  41   7.346  -0.423  -3.567
  283    HG   LEU  41           HG       LEU  41   7.288  -0.153  -0.812
  284   1HD1  LEU  41          1HD1      LEU  41   7.103  -2.662  -0.683
  285   2HD1  LEU  41          2HD1      LEU  41   8.735  -2.745  -1.389
  286   3HD1  LEU  41          3HD1      LEU  41   8.485  -1.948   0.182
  287   1HD2  LEU  41          1HD2      LEU  41   9.382  -0.357  -2.915
  288   2HD2  LEU  41          2HD2      LEU  41   8.999   0.970  -1.794
  289   3HD2  LEU  41          3HD2      LEU  41   9.913  -0.444  -1.219
  290    H    CYS  42           H        CYS  42   5.190  -2.614  -0.985
  291    HA   CYS  42           HA       CYS  42   3.814  -1.071   1.037
  292   1HB   CYS  42          1HB       CYS  42   4.317  -4.019   0.654
  293   2HB   CYS  42          2HB       CYS  42   3.661  -3.373   2.145
  294    H    SER  43           H        SER  43   4.752  -0.509   3.022
  295    HA   SER  43           HA       SER  43   7.127  -1.800   3.877
  296   1HB   SER  43          1HB       SER  43   7.307   0.694   2.346
  297   2HB   SER  43          2HB       SER  43   7.980   0.890   3.952
  298    HG   SER  43           HG       SER  43   9.499   0.095   2.260
  299    H    TYR  44           H        TYR  44   6.744  -2.005   6.050
  300    HA   TYR  44           HA       TYR  44   4.990  -0.060   7.319
  301   1HB   TYR  44          1HB       TYR  44   6.324  -2.423   8.684
  302   2HB   TYR  44          2HB       TYR  44   4.670  -1.867   8.854
  303    HD1  TYR  44           1HD      TYR  44   5.785  -4.747   8.370
  304    HD2  TYR  44           2HD      TYR  44   4.108  -1.777   5.786
  305    HE1  TYR  44           1HE      TYR  44   5.004  -6.566   6.773
  306    HE2  TYR  44           2HE      TYR  44   3.333  -3.605   4.199
  307    HH   TYR  44           HH       TYR  44   4.504  -6.491   4.067
  308    H    GLY  45           H        GLY  45   5.553   0.722   9.552
  309   1HA   GLY  45          1HA       GLY  45   7.984   0.636  10.769
  310   2HA   GLY  45          2HA       GLY  45   8.197   1.852   9.524
  311    H    GLU  46           H        GLU  46   8.191   2.238  12.456
  312    HA   GLU  46           HA       GLU  46   7.450   3.644  13.935
  313   1HB   GLU  46          1HB       GLU  46   6.908   4.939  11.404
  314   2HB   GLU  46          2HB       GLU  46   5.635   5.362  12.533
  315   1HG   GLU  46          1HG       GLU  46   8.635   5.757  12.887
  316   2HG   GLU  46          2HG       GLU  46   7.398   6.995  12.815
  317    H    GLY  47           H        GLY  47   5.673   1.289  12.689
  318   1HA   GLY  47          1HA       GLY  47   3.769   1.175  14.692
  319   2HA   GLY  47          2HA       GLY  47   2.990   1.968  13.337
  320    H    GLY  48           H        GLY  48   4.176  -1.050  14.643
  321   1HA   GLY  48          1HA       GLY  48   4.612  -2.748  12.631
  322   2HA   GLY  48          2HA       GLY  48   3.618  -3.161  14.013
  323    H    ASN  49           H        ASN  49   1.483  -1.162  13.379
  324    HA   ASN  49           HA       ASN  49   0.359  -2.607  11.112
  325   1HB   ASN  49          1HB       ASN  49  -0.841  -1.459  13.652
  326   2HB   ASN  49          2HB       ASN  49  -1.858  -1.597  12.232
  327   1HD2  ASN  49          1HD2      ASN  49  -2.821  -3.001  14.085
  328   2HD2  ASN  49          2HD2      ASN  49  -2.461  -4.694  14.011
  329    H    GLY  50           H        GLY  50   1.417  -0.983   9.650
  330   1HA   GLY  50          1HA       GLY  50  -0.185   1.015   8.722
  331   2HA   GLY  50          2HA       GLY  50   0.794   1.807   9.940
  332    H    PHE  51           H        PHE  51   1.145   2.746   7.427
  333    HA   PHE  51           HA       PHE  51   3.540   1.374   6.437
  334   1HB   PHE  51          1HB       PHE  51   1.525   1.690   4.908
  335   2HB   PHE  51          2HB       PHE  51   1.612   3.419   5.181
  336    HD1  PHE  51           1HD      PHE  51   3.208   0.561   3.529
  337    HD2  PHE  51           2HD      PHE  51   3.295   4.767   4.090
  338    HE1  PHE  51           1HE      PHE  51   4.774   0.789   1.581
  339    HE2  PHE  51           2HE      PHE  51   4.861   4.994   2.141
  340    HZ   PHE  51           HZ       PHE  51   5.581   3.003   0.910
  341    H    GLN  52           H        GLN  52   5.415   2.646   5.869
  342    HA   GLN  52           HA       GLN  52   5.351   5.413   6.638
  343   1HB   GLN  52          1HB       GLN  52   5.874   4.257   8.768
  344   2HB   GLN  52          2HB       GLN  52   7.209   3.416   8.006
  345   1HG   GLN  52          1HG       GLN  52   8.248   5.257   9.091
  346   2HG   GLN  52          2HG       GLN  52   8.153   5.761   7.416
  347   1HE2  GLN  52          1HE2      GLN  52   7.654   7.798   7.234
  348   2HE2  GLN  52          2HE2      GLN  52   6.510   8.694   8.175
  349    H    CYS  53           H        CYS  53   6.585   6.589   5.215
  350    HA   CYS  53           HA       CYS  53   7.915   5.219   3.144
  351   1HB   CYS  53          1HB       CYS  53   7.291   8.013   3.843
  352   2HB   CYS  53          2HB       CYS  53   8.763   7.806   2.916
  353    HA   PRO  54           HA       PRO  54  11.887   5.025   4.922
  354   1HB   PRO  54          1HB       PRO  54  13.480   4.907   2.704
  355   2HB   PRO  54          2HB       PRO  54  12.614   3.521   3.337
  356   1HG   PRO  54          1HG       PRO  54  12.002   5.160   0.954
  357   2HG   PRO  54          2HG       PRO  54  11.425   3.555   1.360
  358   1HD   PRO  54          1HD       PRO  54   9.963   6.012   1.585
  359   2HD   PRO  54          2HD       PRO  54   9.429   4.424   2.099
  360    H    THR  55           H        THR  55  14.141   6.002   5.029
  361    HA   THR  55           HA       THR  55  13.757   8.784   5.339
  362    HB   THR  55           HB       THR  55  15.416   6.945   6.423
  363    HG1  THR  55           1HG      THR  55  15.674   8.919   7.393
  364   1HG2  THR  55          1HG2      THR  55  17.671   7.143   5.611
  365   2HG2  THR  55          2HG2      THR  55  16.700   6.818   4.155
  366   3HG2  THR  55          3HG2      THR  55  17.239   8.476   4.514
  367    H    GLY  56           H        GLY  56  13.919  10.447   3.967
  368   1HA   GLY  56          1HA       GLY  56  14.938  11.628   2.243
  369   2HA   GLY  56          2HA       GLY  56  15.593  10.142   1.585
  370    H    TYR  57           H        TYR  57  12.463   9.341   2.417
  371    HA   TYR  57           HA       TYR  57  11.488  10.069  -0.263
  372   1HB   TYR  57          1HB       TYR  57  11.146   7.690   1.649
  373   2HB   TYR  57          2HB       TYR  57  10.021   7.933   0.328
  374    HD1  TYR  57           1HD      TYR  57  13.568   7.223   1.153
  375    HD2  TYR  57           2HD      TYR  57  10.595   7.345  -1.922
  376    HE1  TYR  57           1HE      TYR  57  15.130   5.976  -0.418
  377    HE2  TYR  57           2HE      TYR  57  12.168   6.098  -3.483
  378    HH   TYR  57           HH       TYR  57  14.685   4.391  -2.515
  379    H    ARG  58           H        ARG  58   9.120  10.390  -0.455
  380    HA   ARG  58           HA       ARG  58   7.778  10.889   2.028
  381   1HB   ARG  58          1HB       ARG  58   7.110  13.222   1.308
  382   2HB   ARG  58          2HB       ARG  58   8.819  13.070   1.662
  383   1HG   ARG  58          1HG       ARG  58   9.256  12.726  -0.810
  384   2HG   ARG  58          2HG       ARG  58   7.554  13.009  -1.118
  385   1HD   ARG  58          1HD       ARG  58   8.361  15.173  -1.424
  386   2HD   ARG  58          2HD       ARG  58   7.992  15.247   0.288
  387    HE   ARG  58           HE       ARG  58  10.650  14.257   0.029
  388   1HH1  ARG  58          1HH1      ARG  58   8.854  17.251  -0.571
  389   2HH1  ARG  58          2HH1      ARG  58  10.234  18.272  -0.336
  390   1HH2  ARG  58          1HH2      ARG  58  12.350  17.281   0.199
  391    H    GLN  59           H        GLN  59   5.598  10.355   1.817
  392    HA   GLN  59           HA       GLN  59   4.628   8.967  -0.204
  393   1HB   GLN  59          1HB       GLN  59   2.375   9.520   0.591
  394   2HB   GLN  59          2HB       GLN  59   3.463   9.357   1.956
  395   1HG   GLN  59          1HG       GLN  59   3.764  12.025   1.484
  396   2HG   GLN  59          2HG       GLN  59   2.139  11.818   0.860
  397   1HE2  GLN  59          1HE2      GLN  59   0.679  10.441   2.281
  398   2HE2  GLN  59          2HE2      GLN  59   0.693  10.771   3.982
  399    H    CYS  60           H        CYS  60   3.454   9.292  -2.167
  400    HA   CYS  60           HA       CYS  60   4.157  11.722  -3.492
  401   1HB   CYS  60          1HB       CYS  60   3.780   9.129  -4.298
  402   2HB   CYS  60          2HB       CYS  60   2.300   9.888  -4.849
  Start of MODEL    7
    1   1H    ASP   1          1H        ASP   1 -23.539 -11.784  -0.936
    2    HA   ASP   1           HA       ASP   1 -23.968  -9.244  -0.640
    3   1HB   ASP   1          1HB       ASP   1 -21.139 -10.244  -0.153
    4   2HB   ASP   1          2HB       ASP   1 -22.056  -9.108   0.815
    5    H    ARG   2           H        ARG   2 -21.977  -7.422  -0.665
    6    HA   ARG   2           HA       ARG   2 -20.953  -7.487  -3.391
    7   1HB   ARG   2          1HB       ARG   2 -21.619  -4.898  -1.942
    8   2HB   ARG   2          2HB       ARG   2 -21.450  -5.163  -3.666
    9   1HG   ARG   2          1HG       ARG   2 -23.694  -5.454  -3.795
   10   2HG   ARG   2          2HG       ARG   2 -23.520  -6.930  -2.866
   11   1HD   ARG   2          1HD       ARG   2 -24.763  -5.929  -1.244
   12   2HD   ARG   2          2HD       ARG   2 -23.366  -4.927  -0.903
   13    HE   ARG   2           HE       ARG   2 -24.799  -3.816  -3.134
   14   1HH1  ARG   2          1HH1      ARG   2 -25.079  -4.204   0.377
   15   2HH1  ARG   2          2HH1      ARG   2 -26.069  -2.797   0.578
   16   1HH2  ARG   2          1HH2      ARG   2 -26.661  -1.494  -1.345
   17    H    CYS   3           H        CYS   3 -18.946  -6.058  -3.688
   18    HA   CYS   3           HA       CYS   3 -17.562  -5.070  -1.481
   19   1HB   CYS   3          1HB       CYS   3 -16.063  -6.663  -0.855
   20   2HB   CYS   3          2HB       CYS   3 -17.478  -7.655  -1.146
   21    H    ARG   4           H        ARG   4 -15.300  -4.377  -2.199
   22    HA   ARG   4           HA       ARG   4 -15.261  -4.210  -5.107
   23   1HB   ARG   4          1HB       ARG   4 -14.879  -2.162  -2.968
   24   2HB   ARG   4          2HB       ARG   4 -13.701  -2.079  -4.263
   25   1HG   ARG   4          1HG       ARG   4 -15.474  -0.685  -5.014
   26   2HG   ARG   4          2HG       ARG   4 -15.710  -2.178  -5.899
   27   1HD   ARG   4          1HD       ARG   4 -17.852  -2.108  -5.104
   28   2HD   ARG   4          2HD       ARG   4 -17.170  -2.682  -3.594
   29    HE   ARG   4           HE       ARG   4 -16.868   0.153  -3.657
   30   1HH1  ARG   4          1HH1      ARG   4 -19.461  -2.252  -3.454
   31   2HH1  ARG   4          2HH1      ARG   4 -20.533  -1.205  -2.585
   32   1HH2  ARG   4          1HH2      ARG   4 -19.818   1.017  -2.040
   33    H    TYR   5           H        TYR   5 -13.873  -6.052  -5.391
   34    HA   TYR   5           HA       TYR   5 -11.738  -6.819  -3.940
   35   1HB   TYR   5          1HB       TYR   5 -12.562  -6.739  -6.851
   36   2HB   TYR   5          2HB       TYR   5 -10.890  -7.174  -6.562
   37    HD1  TYR   5           1HD      TYR   5 -14.121  -8.455  -6.969
   38    HD2  TYR   5           2HD      TYR   5 -10.576  -9.044  -4.647
   39    HE1  TYR   5           1HE      TYR   5 -14.818 -10.854  -6.499
   40    HE2  TYR   5           2HE      TYR   5 -11.286 -11.440  -4.184
   41    HH   TYR   5           HH       TYR   5 -13.935 -12.891  -5.867
   42    H    THR   6           H        THR   6 -10.052  -5.679  -3.122
   43    HA   THR   6           HA       THR   6  -8.823  -3.678  -4.903
   44    HB   THR   6           HB       THR   6  -8.686  -3.620  -1.866
   45    HG1  THR   6           1HG      THR   6 -10.712  -2.379  -2.069
   46   1HG2  THR   6          1HG2      THR   6  -8.489  -1.640  -4.166
   47   2HG2  THR   6          2HG2      THR   6  -8.982  -1.080  -2.550
   48   3HG2  THR   6          3HG2      THR   6  -7.391  -1.846  -2.780
   49    H    LEU   7           H        LEU   7  -6.457  -3.298  -4.452
   50    HA   LEU   7           HA       LEU   7  -5.226  -5.927  -4.101
   51   1HB   LEU   7          1HB       LEU   7  -4.364  -3.416  -5.528
   52   2HB   LEU   7          2HB       LEU   7  -3.265  -4.743  -5.207
   53    HG   LEU   7           HG       LEU   7  -5.516  -5.933  -6.406
   54   1HD1  LEU   7          1HD1      LEU   7  -6.208  -3.635  -7.076
   55   2HD1  LEU   7          2HD1      LEU   7  -4.690  -3.489  -7.994
   56   3HD1  LEU   7          3HD1      LEU   7  -5.889  -4.724  -8.447
   57   1HD2  LEU   7          1HD2      LEU   7  -2.737  -5.261  -7.381
   58   2HD2  LEU   7          2HD2      LEU   7  -3.356  -6.808  -6.755
   59   3HD2  LEU   7          3HD2      LEU   7  -3.893  -6.213  -8.344
   60    H    CYS   8           H        CYS   8  -4.611  -6.310  -2.036
   61    HA   CYS   8           HA       CYS   8  -3.326  -4.071  -0.649
   62   1HB   CYS   8          1HB       CYS   8  -5.029  -6.279   0.523
   63   2HB   CYS   8          2HB       CYS   8  -4.085  -5.145   1.469
   64    H    CYS   9           H        CYS   9  -1.714  -4.950   1.086
   65    HA   CYS   9           HA       CYS   9  -0.231  -7.113  -0.181
   66   1HB   CYS   9          1HB       CYS   9   0.499  -4.736   1.444
   67   2HB   CYS   9          2HB       CYS   9   1.471  -6.175   1.679
   68    H    ASP  10           H        ASP  10   0.726  -8.801   1.266
   69    HA   ASP  10           HA       ASP  10  -1.187  -9.488   3.287
   70   1HB   ASP  10          1HB       ASP  10   1.106 -10.881   1.888
   71   2HB   ASP  10          2HB       ASP  10   0.520 -11.545   3.401
   72    H    GLY  11           H        GLY  11   1.729  -7.740   3.040
   73   1HA   GLY  11          1HA       GLY  11   2.778  -6.696   4.822
   74   2HA   GLY  11          2HA       GLY  11   2.183  -7.924   5.920
   75    H    ALA  12           H        ALA  12   2.961 -10.241   4.243
   76    HA   ALA  12           HA       ALA  12   5.815  -9.988   3.911
   77   1HB   ALA  12          1HB       ALA  12   5.752 -10.377   6.290
   78   2HB   ALA  12          2HB       ALA  12   4.557 -11.682   6.101
   79   3HB   ALA  12          3HB       ALA  12   6.221 -11.908   5.512
   80    H    LEU  13           H        LEU  13   4.930 -10.381   1.704
   81    HA   LEU  13           HA       LEU  13   5.294 -12.987   0.913
   82   1HB   LEU  13          1HB       LEU  13   3.340 -13.706   1.984
   83   2HB   LEU  13          2HB       LEU  13   2.424 -12.302   1.474
   84    HG   LEU  13           HG       LEU  13   3.094 -13.420  -0.943
   85   1HD1  LEU  13          1HD1      LEU  13   4.016 -15.432  -0.323
   86   2HD1  LEU  13          2HD1      LEU  13   2.979 -15.596   1.114
   87   3HD1  LEU  13          3HD1      LEU  13   2.304 -15.881  -0.508
   88   1HD2  LEU  13          1HD2      LEU  13   0.762 -14.161  -1.039
   89   2HD2  LEU  13          2HD2      LEU  13   0.625 -13.972   0.725
   90   3HD2  LEU  13          3HD2      LEU  13   0.906 -12.547  -0.304
   91    H    LYS  14           H        LYS  14   2.474 -11.277  -0.397
   92    HA   LYS  14           HA       LYS  14   3.957  -9.585  -2.116
   93   1HB   LYS  14          1HB       LYS  14   3.617 -10.712  -4.224
   94   2HB   LYS  14          2HB       LYS  14   4.544 -11.744  -3.155
   95   1HG   LYS  14          1HG       LYS  14   2.988 -13.303  -3.864
   96   2HG   LYS  14          2HG       LYS  14   2.103 -12.665  -2.493
   97   1HD   LYS  14          1HD       LYS  14   0.686 -12.783  -4.549
   98   2HD   LYS  14          2HD       LYS  14   0.831 -11.144  -3.945
   99   1HE   LYS  14          1HE       LYS  14   1.943 -10.424  -5.813
  100   2HE   LYS  14          2HE       LYS  14   2.978 -11.836  -5.857
  101   1HZ   LYS  14          1HZ       LYS  14   1.023 -11.413  -7.624
  102   2HZ   LYS  14          2HZ       LYS  14   1.551 -12.908  -7.253
  103    H    ALA  15           H        ALA  15   2.576  -8.123  -3.214
  104    HA   ALA  15           HA       ALA  15   0.076  -7.762  -2.003
  105   1HB   ALA  15          1HB       ALA  15   1.817  -6.437  -3.933
  106   2HB   ALA  15          2HB       ALA  15   0.106  -6.306  -4.407
  107   3HB   ALA  15          3HB       ALA  15   0.632  -5.733  -2.806
  108    H    VAL  16           H        VAL  16  -2.022  -8.251  -2.655
  109    HA   VAL  16           HA       VAL  16  -2.414  -9.450  -5.255
  110    HB   VAL  16           HB       VAL  16  -1.652 -11.254  -3.636
  111   1HG1  VAL  16          1HG1      VAL  16  -3.697 -10.116  -2.033
  112   2HG1  VAL  16          2HG1      VAL  16  -4.249 -11.742  -2.499
  113   3HG1  VAL  16          3HG1      VAL  16  -2.683 -11.535  -1.679
  114   1HG2  VAL  16          1HG2      VAL  16  -3.095 -12.880  -4.593
  115   2HG2  VAL  16          2HG2      VAL  16  -4.423 -11.708  -4.771
  116   3HG2  VAL  16          3HG2      VAL  16  -2.971 -11.568  -5.790
  117    H    SER  17           H        SER  17  -4.851  -9.915  -5.563
  118    HA   SER  17           HA       SER  17  -6.210  -7.640  -4.444
  119   1HB   SER  17          1HB       SER  17  -7.493  -9.551  -6.396
  120   2HB   SER  17          2HB       SER  17  -7.703  -7.817  -6.250
  121    HG   SER  17           HG       SER  17  -5.098  -8.223  -6.819
  122    H    ALA  18           H        ALA  18  -7.882  -7.764  -2.940
  123    HA   ALA  18           HA       ALA  18  -8.878 -10.453  -2.316
  124   1HB   ALA  18          1HB       ALA  18  -8.849  -8.922   0.073
  125   2HB   ALA  18          2HB       ALA  18  -7.858 -10.348  -0.318
  126   3HB   ALA  18          3HB       ALA  18  -7.248  -8.714  -0.675
  127    H    CYS  19           H        CYS  19 -11.035 -10.417  -1.250
  128    HA   CYS  19           HA       CYS  19 -12.573  -8.212  -2.344
  129   1HB   CYS  19          1HB       CYS  19 -13.379 -10.344  -2.992
  130   2HB   CYS  19          2HB       CYS  19 -13.309 -10.963  -1.355
  131    H    LEU  20           H        LEU  20 -12.076  -6.558  -0.781
  132    HA   LEU  20           HA       LEU  20 -12.993  -7.176   1.940
  133   1HB   LEU  20          1HB       LEU  20 -11.323  -5.950   2.803
  134   2HB   LEU  20          2HB       LEU  20 -10.532  -6.438   1.318
  135    HG   LEU  20           HG       LEU  20 -11.912  -4.026   0.739
  136   1HD1  LEU  20          1HD1      LEU  20 -11.726  -3.969   3.391
  137   2HD1  LEU  20          2HD1      LEU  20 -10.079  -3.411   3.010
  138   3HD1  LEU  20          3HD1      LEU  20 -11.488  -2.517   2.390
  139   1HD2  LEU  20          1HD2      LEU  20  -9.171  -5.093   0.725
  140   2HD2  LEU  20          2HD2      LEU  20 -10.041  -4.127  -0.490
  141   3HD2  LEU  20          3HD2      LEU  20  -9.275  -3.325   0.902
  142    H    HIS  21           H        HIS  21 -13.931  -5.168   3.089
  143    HA   HIS  21           HA       HIS  21 -15.687  -3.847   1.156
  144   1HB   HIS  21          1HB       HIS  21 -16.241  -4.131   4.107
  145   2HB   HIS  21          2HB       HIS  21 -17.367  -3.770   2.812
  146    HD1  HIS  21           1HD      HIS  21 -17.998  -6.091   4.702
  147    HD2  HIS  21           2HD      HIS  21 -15.867  -6.550   1.118
  148    HE1  HIS  21           1HE      HIS  21 -18.254  -8.538   4.026
  149    H    GLU  22           H        GLU  22 -16.525  -1.616   2.118
  150    HA   GLU  22           HA       GLU  22 -14.215  -0.032   2.325
  151   1HB   GLU  22          1HB       GLU  22 -17.147   0.380   2.113
  152   2HB   GLU  22          2HB       GLU  22 -16.313   1.649   2.988
  153   1HG   GLU  22          1HG       GLU  22 -14.642   1.747   1.037
  154   2HG   GLU  22          2HG       GLU  22 -15.713   0.674   0.160
  155    H    SER  23           H        SER  23 -16.485  -1.471   4.637
  156    HA   SER  23           HA       SER  23 -15.697   0.242   6.759
  157   1HB   SER  23          1HB       SER  23 -17.725  -1.739   6.271
  158   2HB   SER  23          2HB       SER  23 -16.861  -2.220   7.717
  159    HG   SER  23           HG       SER  23 -17.561   0.528   7.508
  160    H    GLU  24           H        GLU  24 -13.982  -1.998   5.068
  161    HA   GLU  24           HA       GLU  24 -12.499  -2.764   7.456
  162   1HB   GLU  24          1HB       GLU  24 -13.916  -4.630   6.238
  163   2HB   GLU  24          2HB       GLU  24 -12.634  -4.589   5.045
  164   1HG   GLU  24          1HG       GLU  24 -11.443  -4.631   7.691
  165   2HG   GLU  24          2HG       GLU  24 -12.631  -5.915   7.589
  166    H    SER  25           H        SER  25 -10.149  -3.120   7.066
  167    HA   SER  25           HA       SER  25  -9.273  -1.865   4.590
  168   1HB   SER  25          1HB       SER  25  -7.489  -0.679   5.882
  169   2HB   SER  25          2HB       SER  25  -9.103  -0.153   6.319
  170    HG   SER  25           HG       SER  25  -8.245  -0.502   8.297
  171    H    CYS  26           H        CYS  26  -6.760  -2.269   4.312
  172    HA   CYS  26           HA       CYS  26  -5.930  -4.734   5.584
  173   1HB   CYS  26          1HB       CYS  26  -5.214  -5.409   3.099
  174   2HB   CYS  26          2HB       CYS  26  -6.700  -5.942   3.861
  175    H    LEU  27           H        LEU  27  -3.546  -5.219   4.613
  176    HA   LEU  27           HA       LEU  27  -2.015  -2.954   5.215
  177   1HB   LEU  27          1HB       LEU  27  -1.532  -5.521   5.341
  178   2HB   LEU  27          2HB       LEU  27  -0.941  -5.307   3.705
  179    HG   LEU  27           HG       LEU  27   0.093  -3.409   5.755
  180   1HD1  LEU  27          1HD1      LEU  27   0.191  -5.393   7.075
  181   2HD1  LEU  27          2HD1      LEU  27   0.822  -6.346   5.711
  182   3HD1  LEU  27          3HD1      LEU  27   1.829  -5.081   6.454
  183   1HD2  LEU  27          1HD2      LEU  27   0.809  -3.238   3.433
  184   2HD2  LEU  27          2HD2      LEU  27   2.172  -3.697   4.481
  185   3HD2  LEU  27          3HD2      LEU  27   1.377  -4.924   3.465
  186    H    VAL  28           H        VAL  28  -2.972  -1.314   3.794
  187    HA   VAL  28           HA       VAL  28  -2.667  -1.633   0.971
  188    HB   VAL  28           HB       VAL  28  -3.385   0.707   2.744
  189   1HG1  VAL  28          1HG1      VAL  28  -3.845   0.623  -0.236
  190   2HG1  VAL  28          2HG1      VAL  28  -3.857   2.019   0.869
  191   3HG1  VAL  28          3HG1      VAL  28  -2.317   1.235   0.440
  192   1HG2  VAL  28          1HG2      VAL  28  -4.847  -1.572   1.973
  193   2HG2  VAL  28          2HG2      VAL  28  -5.472  -0.087   2.732
  194   3HG2  VAL  28          3HG2      VAL  28  -5.458  -0.243   0.959
  195    HA   PRO  29           HA       PRO  29   1.406  -0.195   0.718
  196   1HB   PRO  29          1HB       PRO  29   1.535   0.414  -1.942
  197   2HB   PRO  29          2HB       PRO  29   1.708  -1.216  -1.323
  198   1HG   PRO  29          1HG       PRO  29  -0.603   0.008  -2.701
  199   2HG   PRO  29          2HG       PRO  29  -0.241  -1.690  -2.461
  200   1HD   PRO  29          1HD       PRO  29  -2.167  -0.124  -1.023
  201   2HD   PRO  29          2HD       PRO  29  -1.724  -1.789  -0.706
  202    H    GLY  30           H        GLY  30   2.695   1.719  -0.604
  203   1HA   GLY  30          1HA       GLY  30   1.129   4.167  -0.274
  204   2HA   GLY  30          2HA       GLY  30   2.523   3.956   0.767
  205    H    ASP  31           H        ASP  31   1.929   5.887  -1.531
  206    HA   ASP  31           HA       ASP  31   3.961   5.057  -3.411
  207   1HB   ASP  31          1HB       ASP  31   2.384   7.655  -3.493
  208   2HB   ASP  31          2HB       ASP  31   3.140   6.813  -4.831
  209    H    CYS  32           H        CYS  32   6.044   5.585  -2.695
  210    HA   CYS  32           HA       CYS  32   6.380   7.932  -1.045
  211   1HB   CYS  32          1HB       CYS  32   8.133   5.614  -1.803
  212   2HB   CYS  32          2HB       CYS  32   8.834   7.070  -1.126
  213    H    CYS  33           H        CYS  33   6.820   9.896  -1.984
  214    HA   CYS  33           HA       CYS  33   8.016   9.821  -4.658
  215   1HB   CYS  33          1HB       CYS  33   7.014  12.116  -4.909
  216   2HB   CYS  33          2HB       CYS  33   5.889  10.771  -4.889
  217    H    ARG  34           H        ARG  34   9.831  11.211  -5.043
  218    HA   ARG  34           HA       ARG  34  10.662  12.958  -2.961
  219   1HB   ARG  34          1HB       ARG  34  11.515  10.485  -2.467
  220   2HB   ARG  34          2HB       ARG  34  12.681  10.825  -3.730
  221   1HG   ARG  34          1HG       ARG  34  12.468  13.052  -1.810
  222   2HG   ARG  34          2HG       ARG  34  12.900  11.549  -1.018
  223   1HD   ARG  34          1HD       ARG  34  15.016  11.653  -1.841
  224   2HD   ARG  34          2HD       ARG  34  14.423  11.784  -3.484
  225    HE   ARG  34           HE       ARG  34  14.546  14.156  -3.348
  226   1HH1  ARG  34          1HH1      ARG  34  15.324  12.669  -0.227
  227   2HH1  ARG  34          2HH1      ARG  34  15.981  14.125   0.443
  228   1HH2  ARG  34          1HH2      ARG  34  16.024  16.115  -0.891
  229    H    GLY  35           H        GLY  35  11.607  14.721  -3.964
  230   1HA   GLY  35          1HA       GLY  35  12.670  15.968  -5.505
  231   2HA   GLY  35          2HA       GLY  35  13.464  14.515  -6.080
  232    H    LYS  36           H        LYS  36  12.471  13.217  -7.767
  233    HA   LYS  36           HA       LYS  36  10.050  14.263  -8.956
  234   1HB   LYS  36          1HB       LYS  36  10.963  14.791 -11.071
  235   2HB   LYS  36          2HB       LYS  36  11.959  15.622  -9.894
  236   1HG   LYS  36          1HG       LYS  36  13.759  14.073 -10.130
  237   2HG   LYS  36          2HG       LYS  36  12.736  12.849 -10.856
  238   1HD   LYS  36          1HD       LYS  36  13.144  13.650 -12.939
  239   2HD   LYS  36          2HD       LYS  36  12.616  15.257 -12.477
  240   1HE   LYS  36          1HE       LYS  36  14.757  16.017 -12.326
  241   2HE   LYS  36          2HE       LYS  36  15.238  14.672 -11.310
  242   1HZ   LYS  36          1HZ       LYS  36  15.041  13.444 -13.671
  243   2HZ   LYS  36          2HZ       LYS  36  15.450  14.928 -14.201
  244    H    SER  37           H        SER  37  10.906  11.835  -7.489
  245    HA   SER  37           HA       SER  37  10.210   9.977  -9.601
  246   1HB   SER  37          1HB       SER  37  12.611   9.826  -7.775
  247   2HB   SER  37          2HB       SER  37  11.826   8.334  -8.255
  248    HG   SER  37           HG       SER  37  13.506   9.962  -9.710
  249    H    ARG  38           H        ARG  38   8.405   8.845  -8.977
  250    HA   ARG  38           HA       ARG  38   8.049   8.512  -6.107
  251   1HB   ARG  38          1HB       ARG  38   5.540   8.621  -6.603
  252   2HB   ARG  38          2HB       ARG  38   6.399  10.134  -6.811
  253   1HG   ARG  38          1HG       ARG  38   6.105  10.151  -9.099
  254   2HG   ARG  38          2HG       ARG  38   6.310   8.417  -9.247
  255   1HD   ARG  38          1HD       ARG  38   3.801   9.857  -8.263
  256   2HD   ARG  38          2HD       ARG  38   3.986   9.034  -9.798
  257    HE   ARG  38           HE       ARG  38   3.642   7.767  -7.152
  258   1HH1  ARG  38          1HH1      ARG  38   4.460   7.300 -10.568
  259   2HH1  ARG  38          2HH1      ARG  38   4.137   5.599 -10.541
  260   1HH2  ARG  38          1HH2      ARG  38   3.407   4.574  -8.501
  261    H    LEU  39           H        LEU  39   7.085   6.478  -5.431
  262    HA   LEU  39           HA       LEU  39   6.410   4.562  -7.479
  263   1HB   LEU  39          1HB       LEU  39   8.064   2.931  -6.256
  264   2HB   LEU  39          2HB       LEU  39   8.560   3.910  -7.621
  265    HG   LEU  39           HG       LEU  39   9.320   5.628  -5.801
  266   1HD1  LEU  39          1HD1      LEU  39  10.221   3.947  -3.856
  267   2HD1  LEU  39          2HD1      LEU  39   8.773   4.973  -3.726
  268   3HD1  LEU  39          3HD1      LEU  39   8.613   3.263  -4.192
  269   1HD2  LEU  39          1HD2      LEU  39  11.365   5.020  -6.432
  270   2HD2  LEU  39          2HD2      LEU  39  11.223   3.433  -5.639
  271   3HD2  LEU  39          3HD2      LEU  39  10.598   3.662  -7.290
  272    H    THR  40           H        THR  40   5.234   2.737  -6.616
  273    HA   THR  40           HA       THR  40   4.325   3.222  -3.854
  274    HB   THR  40           HB       THR  40   2.819   3.507  -6.105
  275    HG1  THR  40           1HG      THR  40   1.094   2.626  -4.466
  276   1HG2  THR  40          1HG2      THR  40   1.496   1.530  -6.523
  277   2HG2  THR  40          2HG2      THR  40   3.189   0.991  -6.628
  278   3HG2  THR  40          3HG2      THR  40   2.241   0.662  -5.158
  279    H    LEU  41           H        LEU  41   4.722   1.690  -2.388
  280    HA   LEU  41           HA       LEU  41   4.824  -1.064  -3.253
  281   1HB   LEU  41          1HB       LEU  41   7.181  -0.268  -1.658
  282   2HB   LEU  41          2HB       LEU  41   7.002  -1.516  -2.876
  283    HG   LEU  41           HG       LEU  41   7.009   1.381  -3.684
  284   1HD1  LEU  41          1HD1      LEU  41   9.347  -0.253  -2.770
  285   2HD1  LEU  41          2HD1      LEU  41   9.552   0.891  -4.119
  286   3HD1  LEU  41          3HD1      LEU  41   8.995   1.476  -2.533
  287   1HD2  LEU  41          1HD2      LEU  41   8.397  -0.474  -5.412
  288   2HD2  LEU  41          2HD2      LEU  41   6.750  -1.049  -5.058
  289   3HD2  LEU  41          3HD2      LEU  41   6.997   0.572  -5.751
  290    H    CYS  42           H        CYS  42   5.685  -2.294  -0.972
  291    HA   CYS  42           HA       CYS  42   3.849  -1.182   1.024
  292   1HB   CYS  42          1HB       CYS  42   4.606  -4.088   0.682
  293   2HB   CYS  42          2HB       CYS  42   3.410  -3.426   1.778
  294    H    SER  43           H        SER  43   4.926  -0.362   2.783
  295    HA   SER  43           HA       SER  43   7.049  -1.857   3.921
  296   1HB   SER  43          1HB       SER  43   8.738  -0.014   3.814
  297   2HB   SER  43          2HB       SER  43   8.373  -0.693   2.240
  298    HG   SER  43           HG       SER  43   6.930   1.114   1.849
  299    H    TYR  44           H        TYR  44   6.120  -1.846   5.957
  300    HA   TYR  44           HA       TYR  44   5.098   0.716   6.951
  301   1HB   TYR  44          1HB       TYR  44   4.813  -2.264   7.653
  302   2HB   TYR  44          2HB       TYR  44   4.206  -1.025   8.734
  303    HD1  TYR  44           1HD      TYR  44   4.044  -1.643   5.025
  304    HD2  TYR  44           2HD      TYR  44   1.912  -0.759   8.627
  305    HE1  TYR  44           1HE      TYR  44   1.860  -1.568   3.724
  306    HE2  TYR  44           2HE      TYR  44  -0.263  -0.687   7.314
  307    HH   TYR  44           HH       TYR  44  -0.268  -1.246   3.801
  308    H    GLY  45           H        GLY  45   5.291   0.658   9.582
  309   1HA   GLY  45          1HA       GLY  45   8.189   0.469  10.071
  310   2HA   GLY  45          2HA       GLY  45   7.055   1.512  10.906
  311    H    GLU  46           H        GLU  46   5.545   0.590  12.477
  312    HA   GLU  46           HA       GLU  46   5.818  -2.177  13.089
  313   1HB   GLU  46          1HB       GLU  46   6.563  -1.739  15.473
  314   2HB   GLU  46          2HB       GLU  46   7.797  -1.467  14.259
  315   1HG   GLU  46          1HG       GLU  46   7.246   0.992  14.285
  316   2HG   GLU  46          2HG       GLU  46   6.066   0.697  15.548
  317    H    GLY  47           H        GLY  47   4.129  -2.920  14.528
  318   1HA   GLY  47          1HA       GLY  47   2.050  -2.886  15.378
  319   2HA   GLY  47          2HA       GLY  47   2.447  -1.309  16.032
  320    H    GLY  48           H        GLY  48   2.108  -2.462  12.603
  321   1HA   GLY  48          1HA       GLY  48   0.953  -1.588  10.877
  322   2HA   GLY  48          2HA       GLY  48  -0.387  -1.537  12.005
  323    H    ASN  49           H        ASN  49   2.448   0.316  10.776
  324    HA   ASN  49           HA       ASN  49   1.087   2.720  11.709
  325   1HB   ASN  49          1HB       ASN  49   3.599   2.021  12.390
  326   2HB   ASN  49          2HB       ASN  49   3.987   2.714  10.828
  327   1HD2  ASN  49          1HD2      ASN  49   5.001   3.808  13.082
  328   2HD2  ASN  49          2HD2      ASN  49   4.301   5.358  13.409
  329    H    GLY  50           H        GLY  50  -0.148   2.055   9.520
  330   1HA   GLY  50          1HA       GLY  50  -0.429   2.237   7.271
  331   2HA   GLY  50          2HA       GLY  50   0.117   3.873   7.588
  332    H    PHE  51           H        PHE  51   1.956   4.590   6.577
  333    HA   PHE  51           HA       PHE  51   3.628   2.515   5.347
  334   1HB   PHE  51          1HB       PHE  51   2.167   4.625   4.234
  335   2HB   PHE  51          2HB       PHE  51   3.728   5.387   4.462
  336    HD1  PHE  51           1HD      PHE  51   3.040   1.847   3.557
  337    HD2  PHE  51           2HD      PHE  51   4.519   5.612   2.276
  338    HE1  PHE  51           1HE      PHE  51   3.863   0.800   1.429
  339    HE2  PHE  51           2HE      PHE  51   5.342   4.565   0.148
  340    HZ   PHE  51           HZ       PHE  51   5.004   2.172  -0.250
  341    H    GLN  52           H        GLN  52   5.972   3.221   4.995
  342    HA   GLN  52           HA       GLN  52   6.843   5.147   6.960
  343   1HB   GLN  52          1HB       GLN  52   6.800   2.873   8.080
  344   2HB   GLN  52          2HB       GLN  52   7.970   2.314   6.901
  345   1HG   GLN  52          1HG       GLN  52   9.068   3.043   9.019
  346   2HG   GLN  52          2HG       GLN  52   9.610   3.990   7.648
  347   1HE2  GLN  52          1HE2      GLN  52   7.880   3.949  10.629
  348   2HE2  GLN  52          2HE2      GLN  52   7.570   5.646  10.782
  349    H    CYS  53           H        CYS  53   7.147   6.230   4.783
  350    HA   CYS  53           HA       CYS  53   8.764   5.276   2.804
  351   1HB   CYS  53          1HB       CYS  53   8.148   8.045   3.786
  352   2HB   CYS  53          2HB       CYS  53   9.321   7.812   2.505
  353    HA   PRO  54           HA       PRO  54  12.587   5.158   4.967
  354   1HB   PRO  54          1HB       PRO  54  14.110   4.092   2.964
  355   2HB   PRO  54          2HB       PRO  54  13.144   3.119   4.054
  356   1HG   PRO  54          1HG       PRO  54  12.616   3.813   1.230
  357   2HG   PRO  54          2HG       PRO  54  11.915   2.529   2.195
  358   1HD   PRO  54          1HD       PRO  54  10.673   5.014   1.486
  359   2HD   PRO  54          2HD       PRO  54  10.019   3.781   2.545
  360    H    THR  55           H        THR  55  15.044   5.722   4.398
  361    HA   THR  55           HA       THR  55  14.992   8.499   4.013
  362    HB   THR  55           HB       THR  55  17.295   6.488   3.799
  363    HG1  THR  55           1HG      THR  55  16.132   8.086   5.972
  364   1HG2  THR  55          1HG2      THR  55  17.117   9.493   4.264
  365   2HG2  THR  55          2HG2      THR  55  18.459   8.547   4.951
  366   3HG2  THR  55          3HG2      THR  55  18.222   8.606   3.187
  367    H    GLY  56           H        GLY  56  15.056   9.802   2.277
  368   1HA   GLY  56          1HA       GLY  56  15.729  10.375   0.123
  369   2HA   GLY  56          2HA       GLY  56  15.948   8.684  -0.278
  370    H    TYR  57           H        TYR  57  13.077   8.838   1.467
  371    HA   TYR  57           HA       TYR  57  11.497   9.307  -0.970
  372   1HB   TYR  57          1HB       TYR  57  11.505   7.141   1.201
  373   2HB   TYR  57          2HB       TYR  57  10.033   7.455   0.303
  374    HD1  TYR  57           1HD      TYR  57  12.992   5.539   0.399
  375    HD2  TYR  57           2HD      TYR  57  10.304   7.426  -2.343
  376    HE1  TYR  57           1HE      TYR  57  13.787   3.993  -1.455
  377    HE2  TYR  57           2HE      TYR  57  11.108   5.874  -4.189
  378    HH   TYR  57           HH       TYR  57  13.203   4.584  -4.669
  379    H    ARG  58           H        ARG  58   9.364  10.169  -0.649
  380    HA   ARG  58           HA       ARG  58   8.843  11.033   2.066
  381   1HB   ARG  58          1HB       ARG  58   9.962  12.865   0.571
  382   2HB   ARG  58          2HB       ARG  58   8.445  12.910  -0.305
  383   1HG   ARG  58          1HG       ARG  58   8.161  13.042   2.660
  384   2HG   ARG  58          2HG       ARG  58   8.999  14.408   1.950
  385   1HD   ARG  58          1HD       ARG  58   7.061  14.602   0.275
  386   2HD   ARG  58          2HD       ARG  58   6.212  13.395   1.220
  387    HE   ARG  58           HE       ARG  58   5.721  15.044   2.793
  388   1HH1  ARG  58          1HH1      ARG  58   8.565  16.083   0.952
  389   2HH1  ARG  58          2HH1      ARG  58   8.650  17.633   1.721
  390   1HH2  ARG  58          1HH2      ARG  58   7.034  18.202   3.397
  391    H    GLN  59           H        GLN  59   6.972   9.828   2.418
  392    HA   GLN  59           HA       GLN  59   5.265   8.791   0.728
  393   1HB   GLN  59          1HB       GLN  59   5.012   8.500   3.124
  394   2HB   GLN  59          2HB       GLN  59   4.616  10.191   3.352
  395   1HG   GLN  59          1HG       GLN  59   2.426   9.882   2.772
  396   2HG   GLN  59          2HG       GLN  59   2.837   8.887   1.389
  397   1HE2  GLN  59          1HE2      GLN  59   2.824   8.844   4.944
  398   2HE2  GLN  59          2HE2      GLN  59   2.336   7.195   5.147
  399    H    CYS  60           H        CYS  60   3.905   9.429  -0.895
  400    HA   CYS  60           HA       CYS  60   3.611  12.232  -1.361
  401   1HB   CYS  60          1HB       CYS  60   3.496   9.843  -2.901
  402   2HB   CYS  60          2HB       CYS  60   1.953  10.653  -3.082
  Start of MODEL    8
    1   1H    ASP   1          1H        ASP   1 -22.262  -8.784  -0.404
    2    HA   ASP   1           HA       ASP   1 -24.130  -6.672  -1.049
    3   1HB   ASP   1          1HB       ASP   1 -21.731  -6.035   0.683
    4   2HB   ASP   1          2HB       ASP   1 -23.195  -5.100   0.461
    5    H    ARG   2           H        ARG   2 -22.314  -4.587  -1.486
    6    HA   ARG   2           HA       ARG   2 -20.843  -5.648  -3.688
    7   1HB   ARG   2          1HB       ARG   2 -20.897  -2.749  -2.732
    8   2HB   ARG   2          2HB       ARG   2 -20.538  -3.325  -4.346
    9   1HG   ARG   2          1HG       ARG   2 -22.805  -3.906  -4.787
   10   2HG   ARG   2          2HG       ARG   2 -23.227  -3.943  -3.086
   11   1HD   ARG   2          1HD       ARG   2 -22.232  -1.321  -4.180
   12   2HD   ARG   2          2HD       ARG   2 -23.827  -1.838  -4.692
   13    HE   ARG   2           HE       ARG   2 -23.034  -1.024  -1.984
   14   1HH1  ARG   2          1HH1      ARG   2 -25.450  -2.761  -3.908
   15   2HH1  ARG   2          2HH1      ARG   2 -26.692  -2.611  -2.710
   16   1HH2  ARG   2          1HH2      ARG   2 -26.213  -1.471  -0.657
   17    H    CYS   3           H        CYS   3 -18.505  -4.796  -4.068
   18    HA   CYS   3           HA       CYS   3 -17.077  -4.246  -1.617
   19   1HB   CYS   3          1HB       CYS   3 -15.813  -6.120  -1.480
   20   2HB   CYS   3          2HB       CYS   3 -17.302  -6.823  -2.078
   21    H    ARG   4           H        ARG   4 -14.766  -3.597  -2.158
   22    HA   ARG   4           HA       ARG   4 -14.652  -2.679  -4.919
   23   1HB   ARG   4          1HB       ARG   4 -13.612  -1.324  -2.381
   24   2HB   ARG   4          2HB       ARG   4 -13.251  -0.753  -3.999
   25   1HG   ARG   4          1HG       ARG   4 -15.227   0.351  -4.082
   26   2HG   ARG   4          2HG       ARG   4 -16.099  -1.151  -3.846
   27   1HD   ARG   4          1HD       ARG   4 -15.472  -0.842  -1.298
   28   2HD   ARG   4          2HD       ARG   4 -15.151   0.823  -1.742
   29    HE   ARG   4           HE       ARG   4 -17.463   1.164  -2.161
   30   1HH1  ARG   4          1HH1      ARG   4 -16.814  -2.250  -1.465
   31   2HH1  ARG   4          2HH1      ARG   4 -18.485  -2.652  -1.253
   32   1HH2  ARG   4          1HH2      ARG   4 -20.145  -0.943  -1.502
   33    H    TYR   5           H        TYR   5 -13.452  -4.613  -5.541
   34    HA   TYR   5           HA       TYR   5 -11.431  -5.871  -4.381
   35   1HB   TYR   5          1HB       TYR   5 -10.464  -5.803  -6.875
   36   2HB   TYR   5          2HB       TYR   5 -12.048  -6.506  -6.611
   37    HD1  TYR   5           1HD      TYR   5 -10.218  -3.613  -7.958
   38    HD2  TYR   5           2HD      TYR   5 -14.076  -5.362  -7.353
   39    HE1  TYR   5           1HE      TYR   5 -11.232  -1.966  -9.609
   40    HE2  TYR   5           2HE      TYR   5 -15.077  -3.709  -9.006
   41    HH   TYR   5           HH       TYR   5 -14.687  -1.723 -10.020
   42    H    THR   6           H        THR   6  -9.860  -4.998  -3.089
   43    HA   THR   6           HA       THR   6  -8.307  -2.776  -4.243
   44    HB   THR   6           HB       THR   6  -7.753  -2.761  -1.552
   45    HG1  THR   6           1HG      THR   6 -10.550  -3.534  -1.958
   46   1HG2  THR   6          1HG2      THR   6  -9.710  -1.142  -1.304
   47   2HG2  THR   6          2HG2      THR   6  -8.633  -0.763  -2.669
   48   3HG2  THR   6          3HG2      THR   6 -10.193  -1.567  -2.963
   49    H    LEU   7           H        LEU   7  -6.004  -2.779  -3.980
   50    HA   LEU   7           HA       LEU   7  -4.987  -5.498  -4.074
   51   1HB   LEU   7          1HB       LEU   7  -3.868  -2.812  -4.855
   52   2HB   LEU   7          2HB       LEU   7  -2.888  -4.265  -4.818
   53    HG   LEU   7           HG       LEU   7  -5.372  -4.606  -6.341
   54   1HD1  LEU   7          1HD1      LEU   7  -4.571  -3.266  -8.293
   55   2HD1  LEU   7          2HD1      LEU   7  -5.126  -2.295  -6.909
   56   3HD1  LEU   7          3HD1      LEU   7  -3.384  -2.496  -7.213
   57   1HD2  LEU   7          1HD2      LEU   7  -3.877  -5.627  -7.954
   58   2HD2  LEU   7          2HD2      LEU   7  -2.460  -4.995  -7.081
   59   3HD2  LEU   7          3HD2      LEU   7  -3.505  -6.214  -6.315
   60    H    CYS   8           H        CYS   8  -4.515  -6.397  -2.133
   61    HA   CYS   8           HA       CYS   8  -3.337  -4.624  -0.129
   62   1HB   CYS   8          1HB       CYS   8  -4.422  -7.373   0.429
   63   2HB   CYS   8          2HB       CYS   8  -4.135  -6.056   1.549
   64    H    CYS   9           H        CYS   9  -1.442  -5.471   1.072
   65    HA   CYS   9           HA       CYS   9   0.245  -7.003  -0.690
   66   1HB   CYS   9          1HB       CYS   9   0.708  -5.424   1.828
   67   2HB   CYS   9          2HB       CYS   9   1.933  -6.516   1.211
   68    H    ASP  10           H        ASP  10   1.484  -8.910   0.172
   69    HA   ASP  10           HA       ASP  10  -0.276 -10.466   1.848
   70   1HB   ASP  10          1HB       ASP  10   1.285 -11.024  -0.429
   71   2HB   ASP  10          2HB       ASP  10   2.180 -11.781   0.874
   72    H    GLY  11           H        GLY  11   1.407  -8.267   2.967
   73   1HA   GLY  11          1HA       GLY  11   2.435  -8.091   5.012
   74   2HA   GLY  11          2HA       GLY  11   2.795  -9.806   5.005
   75    H    ALA  12           H        ALA  12   3.782  -9.349   2.032
   76    HA   ALA  12           HA       ALA  12   6.378  -8.196   2.791
   77   1HB   ALA  12          1HB       ALA  12   5.980 -10.449   0.800
   78   2HB   ALA  12          2HB       ALA  12   7.487  -9.913   1.582
   79   3HB   ALA  12          3HB       ALA  12   6.240 -10.754   2.535
   80    H    LEU  13           H        LEU  13   6.872  -9.021  -0.270
   81    HA   LEU  13           HA       LEU  13   6.001  -6.419  -1.230
   82   1HB   LEU  13          1HB       LEU  13   7.679  -6.557  -2.800
   83   2HB   LEU  13          2HB       LEU  13   8.379  -7.324  -1.389
   84    HG   LEU  13           HG       LEU  13   8.979  -8.549  -3.379
   85   1HD1  LEU  13          1HD1      LEU  13   6.915 -10.245  -1.975
   86   2HD1  LEU  13          2HD1      LEU  13   8.480 -10.733  -2.667
   87   3HD1  LEU  13          3HD1      LEU  13   8.431  -9.740  -1.192
   88   1HD2  LEU  13          1HD2      LEU  13   6.512  -7.838  -4.358
   89   2HD2  LEU  13          2HD2      LEU  13   7.631  -9.005  -5.103
   90   3HD2  LEU  13          3HD2      LEU  13   6.317  -9.580  -4.048
   91    H    LYS  14           H        LYS  14   5.142  -9.792  -1.346
   92    HA   LYS  14           HA       LYS  14   3.955  -9.813  -3.898
   93   1HB   LYS  14          1HB       LYS  14   3.655 -11.527  -1.427
   94   2HB   LYS  14          2HB       LYS  14   2.714 -11.818  -2.875
   95   1HG   LYS  14          1HG       LYS  14   4.589 -12.424  -4.150
   96   2HG   LYS  14          2HG       LYS  14   5.694 -11.467  -3.184
   97   1HD   LYS  14          1HD       LYS  14   4.285 -13.920  -2.053
   98   2HD   LYS  14          2HD       LYS  14   5.807 -14.044  -2.911
   99   1HE   LYS  14          1HE       LYS  14   6.757 -12.305  -1.275
  100   2HE   LYS  14          2HE       LYS  14   5.273 -12.463  -0.355
  101   1HZ   LYS  14          1HZ       LYS  14   6.481 -14.107   0.641
  102   2HZ   LYS  14          2HZ       LYS  14   5.949 -15.027  -0.594
  103    H    ALA  15           H        ALA  15   2.322  -8.535  -4.564
  104    HA   ALA  15           HA       ALA  15   0.238  -7.929  -2.577
  105   1HB   ALA  15          1HB       ALA  15   1.266  -5.861  -2.939
  106   2HB   ALA  15          2HB       ALA  15   1.628  -6.222  -4.643
  107   3HB   ALA  15          3HB       ALA  15  -0.039  -5.843  -4.149
  108    H    VAL  16           H        VAL  16  -1.898  -8.248  -3.211
  109    HA   VAL  16           HA       VAL  16  -2.381  -8.913  -6.002
  110    HB   VAL  16           HB       VAL  16  -1.778 -11.015  -4.834
  111   1HG1  VAL  16          1HG1      VAL  16  -3.142 -10.015  -2.690
  112   2HG1  VAL  16          2HG1      VAL  16  -4.338 -11.149  -3.362
  113   3HG1  VAL  16          3HG1      VAL  16  -2.718 -11.730  -2.909
  114   1HG2  VAL  16          1HG2      VAL  16  -4.714 -10.996  -5.577
  115   2HG2  VAL  16          2HG2      VAL  16  -3.406 -10.856  -6.775
  116   3HG2  VAL  16          3HG2      VAL  16  -3.536 -12.317  -5.767
  117    H    SER  17           H        SER  17  -4.844  -9.146  -6.361
  118    HA   SER  17           HA       SER  17  -6.045  -6.995  -4.859
  119   1HB   SER  17          1HB       SER  17  -7.904  -7.602  -6.752
  120   2HB   SER  17          2HB       SER  17  -6.564  -6.509  -7.033
  121    HG   SER  17           HG       SER  17  -6.390  -9.353  -7.532
  122    H    ALA  18           H        ALA  18  -7.857  -7.253  -3.517
  123    HA   ALA  18           HA       ALA  18  -9.024  -9.941  -3.415
  124   1HB   ALA  18          1HB       ALA  18  -7.985  -8.261  -1.102
  125   2HB   ALA  18          2HB       ALA  18  -9.047  -9.676  -0.901
  126   3HB   ALA  18          3HB       ALA  18  -7.425  -9.872  -1.607
  127    H    CYS  19           H        CYS  19 -11.251  -9.988  -2.777
  128    HA   CYS  19           HA       CYS  19 -12.558  -7.467  -3.312
  129   1HB   CYS  19          1HB       CYS  19 -13.421  -9.298  -4.534
  130   2HB   CYS  19          2HB       CYS  19 -13.518 -10.317  -3.112
  131    H    LEU  20           H        LEU  20 -11.876  -6.419  -1.269
  132    HA   LEU  20           HA       LEU  20 -13.104  -7.588   1.115
  133   1HB   LEU  20          1HB       LEU  20 -11.144  -7.106   1.999
  134   2HB   LEU  20          2HB       LEU  20 -10.637  -6.223   0.572
  135    HG   LEU  20           HG       LEU  20 -12.422  -4.942   2.637
  136   1HD1  LEU  20          1HD1      LEU  20  -9.512  -5.542   2.831
  137   2HD1  LEU  20          2HD1      LEU  20 -10.060  -3.929   3.348
  138   3HD1  LEU  20          3HD1      LEU  20 -10.746  -5.387   4.104
  139   1HD2  LEU  20          1HD2      LEU  20 -12.315  -3.726   0.590
  140   2HD2  LEU  20          2HD2      LEU  20 -11.290  -2.874   1.770
  141   3HD2  LEU  20          3HD2      LEU  20 -10.543  -3.887   0.512
  142    H    HIS  21           H        HIS  21 -14.291  -6.119   2.593
  143    HA   HIS  21           HA       HIS  21 -15.791  -4.192   0.992
  144   1HB   HIS  21          1HB       HIS  21 -16.558  -5.418   3.653
  145   2HB   HIS  21          2HB       HIS  21 -17.580  -4.475   2.586
  146    HD1  HIS  21           1HD      HIS  21 -17.172  -5.820  -0.119
  147    HD2  HIS  21           2HD      HIS  21 -17.540  -7.958   3.472
  148    HE1  HIS  21           1HE      HIS  21 -17.945  -8.166  -0.759
  149    H    GLU  22           H        GLU  22 -16.778  -2.375   2.620
  150    HA   GLU  22           HA       GLU  22 -14.518  -0.882   3.343
  151   1HB   GLU  22          1HB       GLU  22 -17.151  -0.318   2.709
  152   2HB   GLU  22          2HB       GLU  22 -17.140  -0.007   4.433
  153   1HG   GLU  22          1HG       GLU  22 -14.727   1.116   3.289
  154   2HG   GLU  22          2HG       GLU  22 -16.094   1.649   2.330
  155    H    SER  23           H        SER  23 -16.701  -3.074   5.057
  156    HA   SER  23           HA       SER  23 -15.983  -2.092   7.624
  157   1HB   SER  23          1HB       SER  23 -17.917  -3.911   6.509
  158   2HB   SER  23          2HB       SER  23 -17.024  -4.780   7.742
  159    HG   SER  23           HG       SER  23 -17.702  -3.364   9.313
  160    H    GLU  24           H        GLU  24 -14.164  -3.574   5.327
  161    HA   GLU  24           HA       GLU  24 -12.684  -5.073   7.344
  162   1HB   GLU  24          1HB       GLU  24 -13.916  -6.427   5.472
  163   2HB   GLU  24          2HB       GLU  24 -12.668  -5.821   4.403
  164   1HG   GLU  24          1HG       GLU  24 -11.956  -7.991   5.261
  165   2HG   GLU  24          2HG       GLU  24 -10.915  -6.759   5.946
  166    H    SER  25           H        SER  25 -10.307  -5.118   7.006
  167    HA   SER  25           HA       SER  25  -9.350  -3.178   5.098
  168   1HB   SER  25          1HB       SER  25  -7.921  -2.094   6.891
  169   2HB   SER  25          2HB       SER  25  -9.636  -1.755   7.016
  170    HG   SER  25           HG       SER  25  -9.800  -2.943   8.841
  171    H    CYS  26           H        CYS  26  -7.317  -3.754   4.274
  172    HA   CYS  26           HA       CYS  26  -6.034  -6.017   5.624
  173   1HB   CYS  26          1HB       CYS  26  -5.191  -6.478   3.185
  174   2HB   CYS  26          2HB       CYS  26  -6.734  -7.084   3.751
  175    H    LEU  27           H        LEU  27  -3.590  -6.129   4.653
  176    HA   LEU  27           HA       LEU  27  -2.395  -3.686   5.451
  177   1HB   LEU  27          1HB       LEU  27  -1.544  -6.043   5.801
  178   2HB   LEU  27          2HB       LEU  27  -1.077  -6.046   4.112
  179    HG   LEU  27           HG       LEU  27   0.660  -5.456   5.972
  180   1HD1  LEU  27          1HD1      LEU  27   1.716  -3.755   4.324
  181   2HD1  LEU  27          2HD1      LEU  27   1.431  -5.428   3.784
  182   3HD1  LEU  27          3HD1      LEU  27   0.313  -4.132   3.295
  183   1HD2  LEU  27          1HD2      LEU  27  -0.690  -3.719   7.057
  184   2HD2  LEU  27          2HD2      LEU  27   0.861  -3.078   6.465
  185   3HD2  LEU  27          3HD2      LEU  27  -0.640  -2.749   5.566
  186    H    VAL  28           H        VAL  28  -3.122  -2.027   4.065
  187    HA   VAL  28           HA       VAL  28  -2.890  -2.322   1.237
  188    HB   VAL  28           HB       VAL  28  -4.619  -0.954   2.092
  189   1HG1  VAL  28          1HG1      VAL  28  -4.262  -0.121   4.157
  190   2HG1  VAL  28          2HG1      VAL  28  -2.509   0.050   3.896
  191   3HG1  VAL  28          3HG1      VAL  28  -3.626   1.296   3.287
  192   1HG2  VAL  28          1HG2      VAL  28  -3.870   1.391   1.198
  193   2HG2  VAL  28          2HG2      VAL  28  -2.388   0.529   0.725
  194   3HG2  VAL  28          3HG2      VAL  28  -3.963   0.005   0.083
  195    HA   PRO  29           HA       PRO  29   1.254  -1.130   0.889
  196   1HB   PRO  29          1HB       PRO  29   1.351  -0.509  -1.771
  197   2HB   PRO  29          2HB       PRO  29   1.442  -2.151  -1.167
  198   1HG   PRO  29          1HG       PRO  29  -0.827  -0.781  -2.476
  199   2HG   PRO  29          2HG       PRO  29  -0.562  -2.499  -2.255
  200   1HD   PRO  29          1HD       PRO  29  -2.352  -0.833  -0.757
  201   2HD   PRO  29          2HD       PRO  29  -2.001  -2.525  -0.462
  202    H    GLY  30           H        GLY  30   2.589   0.723  -0.524
  203   1HA   GLY  30          1HA       GLY  30   1.189   3.251  -0.080
  204   2HA   GLY  30          2HA       GLY  30   2.628   2.951   0.872
  205    H    ASP  31           H        ASP  31   2.104   4.989  -1.283
  206    HA   ASP  31           HA       ASP  31   4.014   4.056  -3.264
  207   1HB   ASP  31          1HB       ASP  31   2.261   6.555  -3.317
  208   2HB   ASP  31          2HB       ASP  31   3.204   5.925  -4.653
  209    H    CYS  32           H        CYS  32   6.118   4.679  -2.735
  210    HA   CYS  32           HA       CYS  32   6.487   7.011  -1.072
  211   1HB   CYS  32          1HB       CYS  32   8.294   4.803  -2.030
  212   2HB   CYS  32          2HB       CYS  32   8.948   6.258  -1.305
  213    H    CYS  33           H        CYS  33   6.938   9.010  -1.938
  214    HA   CYS  33           HA       CYS  33   7.660   9.063  -4.767
  215   1HB   CYS  33          1HB       CYS  33   6.127  10.896  -2.983
  216   2HB   CYS  33          2HB       CYS  33   7.043  11.608  -4.297
  217    H    ARG  34           H        ARG  34   9.633   9.983  -5.395
  218    HA   ARG  34           HA       ARG  34  11.162  11.215  -3.251
  219   1HB   ARG  34          1HB       ARG  34  11.980   8.884  -3.646
  220   2HB   ARG  34          2HB       ARG  34  12.217   9.246  -5.344
  221   1HG   ARG  34          1HG       ARG  34  13.606  11.313  -4.036
  222   2HG   ARG  34          2HG       ARG  34  13.927   9.909  -3.036
  223   1HD   ARG  34          1HD       ARG  34  15.658   9.903  -4.697
  224   2HD   ARG  34          2HD       ARG  34  14.542   8.649  -5.198
  225    HE   ARG  34           HE       ARG  34  13.714  11.098  -6.411
  226   1HH1  ARG  34          1HH1      ARG  34  16.386   8.779  -6.597
  227   2HH1  ARG  34          2HH1      ARG  34  16.736   9.127  -8.257
  228   1HH2  ARG  34          1HH2      ARG  34  15.424  10.765  -9.416
  229    H    GLY  35           H        GLY  35  11.190  13.362  -3.920
  230   1HA   GLY  35          1HA       GLY  35  11.725  15.157  -5.165
  231   2HA   GLY  35          2HA       GLY  35  12.674  14.111  -6.202
  232    H    LYS  36           H        LYS  36  11.646  13.022  -8.032
  233    HA   LYS  36           HA       LYS  36   8.978  14.042  -8.667
  234   1HB   LYS  36          1HB       LYS  36  11.123  13.982 -10.777
  235   2HB   LYS  36          2HB       LYS  36   9.591  14.832 -10.779
  236   1HG   LYS  36          1HG       LYS  36  10.632  16.056  -8.635
  237   2HG   LYS  36          2HG       LYS  36  12.152  15.538  -9.337
  238   1HD   LYS  36          1HD       LYS  36  10.726  16.576 -11.533
  239   2HD   LYS  36          2HD       LYS  36  10.316  17.665 -10.223
  240   1HE   LYS  36          1HE       LYS  36  12.698  18.076  -9.747
  241   2HE   LYS  36          2HE       LYS  36  13.182  16.862 -10.914
  242   1HZ   LYS  36          1HZ       LYS  36  12.576  18.228 -12.677
  243   2HZ   LYS  36          2HZ       LYS  36  11.493  19.095 -11.824
  244    H    SER  37           H        SER  37  10.305  11.447  -7.667
  245    HA   SER  37           HA       SER  37   9.357   9.807  -9.886
  246   1HB   SER  37          1HB       SER  37  11.672   9.460  -7.983
  247   2HB   SER  37          2HB       SER  37  10.872   8.024  -8.591
  248    HG   SER  37           HG       SER  37  11.817  10.128 -10.334
  249    H    ARG  38           H        ARG  38   8.312   7.706  -9.193
  250    HA   ARG  38           HA       ARG  38   7.338   7.828  -6.470
  251   1HB   ARG  38          1HB       ARG  38   5.588   8.876  -7.899
  252   2HB   ARG  38          2HB       ARG  38   5.582   7.475  -8.952
  253   1HG   ARG  38          1HG       ARG  38   5.211   6.539  -6.248
  254   2HG   ARG  38          2HG       ARG  38   4.110   7.879  -6.502
  255   1HD   ARG  38          1HD       ARG  38   3.114   5.660  -7.153
  256   2HD   ARG  38          2HD       ARG  38   3.141   6.806  -8.478
  257    HE   ARG  38           HE       ARG  38   5.498   5.537  -8.902
  258   1HH1  ARG  38          1HH1      ARG  38   2.310   4.198  -8.131
  259   2HH1  ARG  38          2HH1      ARG  38   2.597   2.708  -8.965
  260   1HH2  ARG  38          1HH2      ARG  38   4.700   2.360 -10.059
  261    H    LEU  39           H        LEU  39   6.796   5.727  -5.582
  262    HA   LEU  39           HA       LEU  39   7.019   3.439  -7.337
  263   1HB   LEU  39          1HB       LEU  39   9.219   3.287  -6.975
  264   2HB   LEU  39          2HB       LEU  39   9.180   4.328  -5.565
  265    HG   LEU  39           HG       LEU  39   8.071   1.561  -5.304
  266   1HD1  LEU  39          1HD1      LEU  39  10.882   1.577  -4.642
  267   2HD1  LEU  39          2HD1      LEU  39   9.963   0.466  -5.686
  268   3HD1  LEU  39          3HD1      LEU  39  10.640   1.968  -6.362
  269   1HD2  LEU  39          1HD2      LEU  39   8.154   3.485  -3.526
  270   2HD2  LEU  39          2HD2      LEU  39   8.506   1.804  -3.059
  271   3HD2  LEU  39          3HD2      LEU  39   9.841   2.952  -3.325
  272    H    THR  40           H        THR  40   6.069   1.538  -6.425
  273    HA   THR  40           HA       THR  40   4.598   2.080  -3.928
  274    HB   THR  40           HB       THR  40   3.712   0.409  -6.338
  275    HG1  THR  40           1HG      THR  40   2.817   2.358  -7.009
  276   1HG2  THR  40          1HG2      THR  40   2.411   1.360  -3.754
  277   2HG2  THR  40          2HG2      THR  40   1.427   1.072  -5.209
  278   3HG2  THR  40          3HG2      THR  40   2.359  -0.261  -4.487
  279    H    LEU  41           H        LEU  41   5.033   0.790  -2.256
  280    HA   LEU  41           HA       LEU  41   5.758  -1.958  -2.775
  281   1HB   LEU  41          1HB       LEU  41   7.648  -0.102  -1.321
  282   2HB   LEU  41          2HB       LEU  41   7.814  -1.841  -1.456
  283    HG   LEU  41           HG       LEU  41   7.854   0.077  -3.802
  284   1HD1  LEU  41          1HD1      LEU  41  10.169  -1.293  -2.405
  285   2HD1  LEU  41          2HD1      LEU  41  10.266  -0.295  -3.875
  286   3HD1  LEU  41          3HD1      LEU  41   9.775   0.442  -2.330
  287   1HD2  LEU  41          1HD2      LEU  41   7.864  -1.675  -5.175
  288   2HD2  LEU  41          2HD2      LEU  41   9.065  -2.544  -4.189
  289   3HD2  LEU  41          3HD2      LEU  41   7.335  -2.649  -3.782
  290    H    CYS  42           H        CYS  42   6.274  -2.958  -0.389
  291    HA   CYS  42           HA       CYS  42   4.067  -1.954   1.251
  292   1HB   CYS  42          1HB       CYS  42   5.202  -4.726   1.472
  293   2HB   CYS  42          2HB       CYS  42   3.639  -4.127   1.991
  294    H    SER  43           H        SER  43   4.721  -0.927   3.109
  295    HA   SER  43           HA       SER  43   6.960  -2.006   4.533
  296   1HB   SER  43          1HB       SER  43   7.629  -0.079   2.764
  297   2HB   SER  43          2HB       SER  43   7.099   0.963   4.070
  298    HG   SER  43           HG       SER  43   9.020   0.631   4.937
  299    H    TYR  44           H        TYR  44   6.822  -1.543   6.784
  300    HA   TYR  44           HA       TYR  44   4.397  -0.059   7.537
  301   1HB   TYR  44          1HB       TYR  44   6.089  -2.142   9.048
  302   2HB   TYR  44          2HB       TYR  44   4.500  -1.578   9.526
  303    HD1  TYR  44           1HD      TYR  44   6.257  -3.390   6.762
  304    HD2  TYR  44           2HD      TYR  44   2.585  -2.757   8.865
  305    HE1  TYR  44           1HE      TYR  44   5.183  -5.302   5.475
  306    HE2  TYR  44           2HE      TYR  44   1.523  -4.671   7.570
  307    HH   TYR  44           HH       TYR  44   2.204  -6.650   6.406
  308    H    GLY  45           H        GLY  45   4.604   0.789   9.938
  309   1HA   GLY  45          1HA       GLY  45   7.085   1.478  11.011
  310   2HA   GLY  45          2HA       GLY  45   6.606   2.777   9.937
  311    H    GLU  46           H        GLU  46   6.420   4.189  11.831
  312    HA   GLU  46           HA       GLU  46   5.330   5.224  13.397
  313   1HB   GLU  46          1HB       GLU  46   2.859   3.731  12.413
  314   2HB   GLU  46          2HB       GLU  46   2.858   5.200  13.369
  315   1HG   GLU  46          1HG       GLU  46   4.283   5.074  10.683
  316   2HG   GLU  46          2HG       GLU  46   2.568   5.416  10.782
  317    H    GLY  47           H        GLY  47   4.443   5.031  15.603
  318   1HA   GLY  47          1HA       GLY  47   5.153   2.506  16.795
  319   2HA   GLY  47          2HA       GLY  47   4.646   3.974  17.607
  320    H    GLY  48           H        GLY  48   3.049   1.944  15.047
  321   1HA   GLY  48          1HA       GLY  48   1.119   0.847  16.824
  322   2HA   GLY  48          2HA       GLY  48   0.463   2.238  15.983
  323    H    ASN  49           H        ASN  49  -0.117   2.092  13.803
  324    HA   ASN  49           HA       ASN  49   0.814  -0.192  12.331
  325   1HB   ASN  49          1HB       ASN  49  -1.201  -1.131  13.362
  326   2HB   ASN  49          2HB       ASN  49  -2.131   0.306  12.988
  327   1HD2  ASN  49          1HD2      ASN  49  -0.245  -2.304  11.507
  328   2HD2  ASN  49          2HD2      ASN  49  -1.170  -2.456  10.051
  329    H    GLY  50           H        GLY  50   1.603   0.985  10.561
  330   1HA   GLY  50          1HA       GLY  50  -0.182   2.326   8.822
  331   2HA   GLY  50          2HA       GLY  50   0.731   3.497   9.753
  332    H    PHE  51           H        PHE  51   0.833   2.803   6.816
  333    HA   PHE  51           HA       PHE  51   3.216   1.370   6.346
  334   1HB   PHE  51          1HB       PHE  51   1.374   1.715   4.686
  335   2HB   PHE  51          2HB       PHE  51   1.578   3.453   4.783
  336    HD1  PHE  51           1HD      PHE  51   3.003   0.338   3.479
  337    HD2  PHE  51           2HD      PHE  51   3.377   4.563   3.612
  338    HE1  PHE  51           1HE      PHE  51   4.623   0.255   1.564
  339    HE2  PHE  51           2HE      PHE  51   4.997   4.481   1.697
  340    HZ   PHE  51           HZ       PHE  51   5.602   2.328   0.696
  341    H    GLN  52           H        GLN  52   5.293   2.162   5.639
  342    HA   GLN  52           HA       GLN  52   5.737   4.952   6.362
  343   1HB   GLN  52          1HB       GLN  52   6.596   3.029   7.984
  344   2HB   GLN  52          2HB       GLN  52   7.882   2.870   6.805
  345   1HG   GLN  52          1HG       GLN  52   8.924   4.703   7.637
  346   2HG   GLN  52          2HG       GLN  52   7.506   5.686   7.326
  347   1HE2  GLN  52          1HE2      GLN  52   5.917   5.940   8.912
  348   2HE2  GLN  52          2HE2      GLN  52   6.226   5.661  10.593
  349    H    CYS  53           H        CYS  53   8.310   5.365   5.566
  350    HA   CYS  53           HA       CYS  53   8.457   4.298   2.851
  351   1HB   CYS  53          1HB       CYS  53   8.117   7.116   3.667
  352   2HB   CYS  53          2HB       CYS  53   9.392   6.831   2.498
  353    HA   PRO  54           HA       PRO  54  12.643   3.884   3.983
  354   1HB   PRO  54          1HB       PRO  54  13.879   3.788   1.546
  355   2HB   PRO  54          2HB       PRO  54  13.053   2.415   2.257
  356   1HG   PRO  54          1HG       PRO  54  12.169   4.171   0.049
  357   2HG   PRO  54          2HG       PRO  54  11.585   2.577   0.486
  358   1HD   PRO  54          1HD       PRO  54  10.289   5.082   1.009
  359   2HD   PRO  54          2HD       PRO  54   9.765   3.498   1.546
  360    H    THR  55           H        THR  55  14.951   4.755   3.706
  361    HA   THR  55           HA       THR  55  14.766   7.523   4.223
  362    HB   THR  55           HB       THR  55  16.488   5.659   4.977
  363    HG1  THR  55           1HG      THR  55  17.407   8.252   3.965
  364   1HG2  THR  55          1HG2      THR  55  17.890   6.837   2.523
  365   2HG2  THR  55          2HG2      THR  55  18.567   5.671   3.686
  366   3HG2  THR  55          3HG2      THR  55  17.260   5.173   2.586
  367    H    GLY  56           H        GLY  56  14.868   9.289   2.964
  368   1HA   GLY  56          1HA       GLY  56  15.549  10.528   1.137
  369   2HA   GLY  56          2HA       GLY  56  16.011   9.065   0.290
  370    H    TYR  57           H        TYR  57  13.060   8.287   1.614
  371    HA   TYR  57           HA       TYR  57  11.641   9.237  -0.784
  372   1HB   TYR  57          1HB       TYR  57  11.584   6.723   0.979
  373   2HB   TYR  57          2HB       TYR  57  10.231   7.092  -0.074
  374    HD1  TYR  57           1HD      TYR  57  13.762   6.056   0.047
  375    HD2  TYR  57           2HD      TYR  57  10.419   6.870  -2.496
  376    HE1  TYR  57           1HE      TYR  57  14.945   4.909  -1.889
  377    HE2  TYR  57           2HE      TYR  57  11.613   5.721  -4.423
  378    HH   TYR  57           HH       TYR  57  14.496   3.887  -3.919
  379    H    ARG  58           H        ARG  58   9.260   9.552  -0.501
  380    HA   ARG  58           HA       ARG  58   8.437   9.932   2.217
  381   1HB   ARG  58          1HB       ARG  58   8.991  12.186   0.302
  382   2HB   ARG  58          2HB       ARG  58   7.536  12.326   1.268
  383   1HG   ARG  58          1HG       ARG  58   8.720  12.811   3.149
  384   2HG   ARG  58          2HG       ARG  58   9.776  11.430   2.927
  385   1HD   ARG  58          1HD       ARG  58  10.210  13.744   1.061
  386   2HD   ARG  58          2HD       ARG  58  10.643  14.010   2.738
  387    HE   ARG  58           HE       ARG  58  11.749  11.513   2.093
  388   1HH1  ARG  58          1HH1      ARG  58  12.079  14.828   0.884
  389   2HH1  ARG  58          2HH1      ARG  58  13.715  14.606   0.363
  390   1HH2  ARG  58          1HH2      ARG  58  14.771  12.478   0.679
  391    H    GLN  59           H        GLN  59   6.306   9.265   2.374
  392    HA   GLN  59           HA       GLN  59   4.940   8.075   0.473
  393   1HB   GLN  59          1HB       GLN  59   4.283   8.287   2.893
  394   2HB   GLN  59          2HB       GLN  59   3.654   9.888   2.561
  395   1HG   GLN  59          1HG       GLN  59   2.195   8.754   0.726
  396   2HG   GLN  59          2HG       GLN  59   2.648   7.231   1.466
  397   1HE2  GLN  59          1HE2      GLN  59   1.449  10.470   2.322
  398   2HE2  GLN  59          2HE2      GLN  59   0.329   9.975   3.547
  399    H    CYS  60           H        CYS  60   3.438   8.548  -1.199
  400    HA   CYS  60           HA       CYS  60   3.797  11.138  -2.349
  401   1HB   CYS  60          1HB       CYS  60   2.044   8.855  -3.278
  402   2HB   CYS  60          2HB       CYS  60   2.495  10.270  -4.209
  Start of MODEL    9
    1   1H    ASP   1          1H        ASP   1 -19.763   1.624  -2.101
    2    HA   ASP   1           HA       ASP   1 -21.746   0.326  -1.867
    3   1HB   ASP   1          1HB       ASP   1 -20.332   0.743  -4.406
    4   2HB   ASP   1          2HB       ASP   1 -21.409  -0.635  -4.514
    5    H    ARG   2           H        ARG   2 -19.176  -1.502  -3.715
    6    HA   ARG   2           HA       ARG   2 -20.061  -3.877  -2.295
    7   1HB   ARG   2          1HB       ARG   2 -19.083  -4.050  -5.163
    8   2HB   ARG   2          2HB       ARG   2 -20.072  -5.195  -4.279
    9   1HG   ARG   2          1HG       ARG   2 -21.609  -2.839  -4.239
   10   2HG   ARG   2          2HG       ARG   2 -20.894  -2.831  -5.839
   11   1HD   ARG   2          1HD       ARG   2 -21.802  -5.029  -6.354
   12   2HD   ARG   2          2HD       ARG   2 -22.277  -5.296  -4.688
   13    HE   ARG   2           HE       ARG   2 -24.138  -3.852  -4.979
   14   1HH1  ARG   2          1HH1      ARG   2 -22.069  -3.811  -7.854
   15   2HH1  ARG   2          2HH1      ARG   2 -23.243  -3.005  -8.841
   16   1HH2  ARG   2          1HH2      ARG   2 -25.364  -2.414  -7.894
   17    H    CYS   3           H        CYS   3 -18.325  -5.635  -2.263
   18    HA   CYS   3           HA       CYS   3 -15.994  -4.787  -1.258
   19   1HB   CYS   3          1HB       CYS   3 -16.245  -7.006  -0.930
   20   2HB   CYS   3          2HB       CYS   3 -16.908  -7.294  -2.526
   21    H    ARG   4           H        ARG   4 -14.137  -3.817  -2.048
   22    HA   ARG   4           HA       ARG   4 -13.974  -3.646  -4.946
   23   1HB   ARG   4          1HB       ARG   4 -13.795  -1.659  -2.874
   24   2HB   ARG   4          2HB       ARG   4 -12.201  -1.781  -3.593
   25   1HG   ARG   4          1HG       ARG   4 -13.089  -0.305  -5.121
   26   2HG   ARG   4          2HG       ARG   4 -13.672  -1.775  -5.876
   27   1HD   ARG   4          1HD       ARG   4 -15.686  -0.624  -5.741
   28   2HD   ARG   4          2HD       ARG   4 -15.735  -1.426  -4.184
   29    HE   ARG   4           HE       ARG   4 -15.578   0.667  -3.176
   30   1HH1  ARG   4          1HH1      ARG   4 -14.162   0.901  -6.416
   31   2HH1  ARG   4          2HH1      ARG   4 -13.861   2.603  -6.296
   32   1HH2  ARG   4          1HH2      ARG   4 -14.469   3.765  -4.290
   33    H    TYR   5           H        TYR   5 -12.774  -5.608  -5.288
   34    HA   TYR   5           HA       TYR   5 -10.807  -6.734  -3.920
   35   1HB   TYR   5          1HB       TYR   5 -11.174  -6.045  -6.880
   36   2HB   TYR   5          2HB       TYR   5  -9.783  -6.994  -6.398
   37    HD1  TYR   5           1HD      TYR   5 -13.396  -6.999  -6.914
   38    HD2  TYR   5           2HD      TYR   5 -10.083  -9.270  -5.443
   39    HE1  TYR   5           1HE      TYR   5 -14.804  -9.115  -6.990
   40    HE2  TYR   5           2HE      TYR   5 -11.501 -11.378  -5.523
   41    HH   TYR   5           HH       TYR   5 -13.500 -12.190  -5.805
   42    H    THR   6           H        THR   6  -9.412  -5.495  -2.651
   43    HA   THR   6           HA       THR   6  -7.730  -3.564  -4.091
   44    HB   THR   6           HB       THR   6  -7.230  -3.108  -1.464
   45    HG1  THR   6           1HG      THR   6  -8.608  -4.560  -0.472
   46   1HG2  THR   6          1HG2      THR   6  -8.418  -1.203  -1.890
   47   2HG2  THR   6          2HG2      THR   6  -8.963  -1.939  -3.417
   48   3HG2  THR   6          3HG2      THR   6  -9.937  -2.129  -1.939
   49    H    LEU   7           H        LEU   7  -5.486  -3.664  -4.051
   50    HA   LEU   7           HA       LEU   7  -4.487  -6.336  -3.636
   51   1HB   LEU   7          1HB       LEU   7  -3.442  -3.814  -4.875
   52   2HB   LEU   7          2HB       LEU   7  -2.342  -5.116  -4.471
   53    HG   LEU   7           HG       LEU   7  -4.652  -6.102  -5.949
   54   1HD1  LEU   7          1HD1      LEU   7  -4.928  -4.264  -7.245
   55   2HD1  LEU   7          2HD1      LEU   7  -3.273  -3.670  -6.961
   56   3HD1  LEU   7          3HD1      LEU   7  -3.559  -4.987  -8.124
   57   1HD2  LEU   7          1HD2      LEU   7  -2.196  -7.010  -5.488
   58   2HD2  LEU   7          2HD2      LEU   7  -3.112  -7.449  -6.949
   59   3HD2  LEU   7          3HD2      LEU   7  -1.871  -6.174  -7.026
   60    H    CYS   8           H        CYS   8  -4.259  -6.861  -1.495
   61    HA   CYS   8           HA       CYS   8  -2.947  -4.875   0.192
   62   1HB   CYS   8          1HB       CYS   8  -4.254  -7.424   1.129
   63   2HB   CYS   8          2HB       CYS   8  -3.821  -6.012   2.074
   64    H    CYS   9           H        CYS   9  -1.156  -5.663   1.613
   65    HA   CYS   9           HA       CYS   9   0.351  -7.740   0.226
   66   1HB   CYS   9          1HB       CYS   9   1.080  -5.299   1.757
   67   2HB   CYS   9          2HB       CYS   9   2.153  -6.676   1.911
   68    H    ASP  10           H        ASP  10   0.879  -9.659   1.297
   69    HA   ASP  10           HA       ASP  10  -0.425 -10.026   3.827
   70   1HB   ASP  10          1HB       ASP  10  -0.162 -12.355   3.437
   71   2HB   ASP  10          2HB       ASP  10  -0.445 -11.685   1.843
   72    H    GLY  11           H        GLY  11   2.441  -8.694   2.902
   73   1HA   GLY  11          1HA       GLY  11   4.536  -8.541   3.729
   74   2HA   GLY  11          2HA       GLY  11   3.741  -8.698   5.283
   75    H    ALA  12           H        ALA  12   3.491 -11.364   2.971
   76    HA   ALA  12           HA       ALA  12   5.756 -12.748   4.123
   77   1HB   ALA  12          1HB       ALA  12   4.415 -13.605   5.760
   78   2HB   ALA  12          2HB       ALA  12   2.919 -13.262   4.861
   79   3HB   ALA  12          3HB       ALA  12   3.890 -14.698   4.458
   80    H    LEU  13           H        LEU  13   5.550 -11.769   1.559
   81    HA   LEU  13           HA       LEU  13   6.201 -13.722  -0.073
   82   1HB   LEU  13          1HB       LEU  13   4.428 -15.135   0.091
   83   2HB   LEU  13          2HB       LEU  13   3.266 -13.851   0.362
   84    HG   LEU  13           HG       LEU  13   4.360 -13.654  -2.312
   85   1HD1  LEU  13          1HD1      LEU  13   4.655 -16.155  -1.823
   86   2HD1  LEU  13          2HD1      LEU  13   2.877 -16.237  -1.848
   87   3HD1  LEU  13          3HD1      LEU  13   3.763 -15.691  -3.292
   88   1HD2  LEU  13          1HD2      LEU  13   2.318 -12.855  -2.641
   89   2HD2  LEU  13          2HD2      LEU  13   1.588 -14.420  -2.208
   90   3HD2  LEU  13          3HD2      LEU  13   1.937 -13.220  -0.941
   91    H    LYS  14           H        LYS  14   3.252 -11.790  -0.824
   92    HA   LYS  14           HA       LYS  14   4.707  -9.545  -1.731
   93   1HB   LYS  14          1HB       LYS  14   4.182 -11.735  -3.669
   94   2HB   LYS  14          2HB       LYS  14   3.787 -10.116  -4.211
   95   1HG   LYS  14          1HG       LYS  14   5.982  -9.687  -4.568
   96   2HG   LYS  14          2HG       LYS  14   6.317  -9.942  -2.866
   97   1HD   LYS  14          1HD       LYS  14   7.699 -11.512  -4.054
   98   2HD   LYS  14          2HD       LYS  14   6.400 -12.454  -3.348
   99   1HE   LYS  14          1HE       LYS  14   5.911 -13.236  -5.420
  100   2HE   LYS  14          2HE       LYS  14   5.391 -11.623  -5.864
  101   1HZ   LYS  14          1HZ       LYS  14   7.406 -11.184  -6.878
  102   2HZ   LYS  14          2HZ       LYS  14   8.270 -12.196  -5.939
  103    H    ALA  15           H        ALA  15   3.015  -8.279  -3.367
  104    HA   ALA  15           HA       ALA  15   0.692  -7.989  -1.708
  105   1HB   ALA  15          1HB       ALA  15   2.242  -6.301  -3.229
  106   2HB   ALA  15          2HB       ALA  15   0.826  -6.536  -4.282
  107   3HB   ALA  15          3HB       ALA  15   0.613  -5.915  -2.627
  108    H    VAL  16           H        VAL  16  -1.265  -8.940  -2.003
  109    HA   VAL  16           HA       VAL  16  -1.802 -10.040  -4.672
  110    HB   VAL  16           HB       VAL  16  -1.088 -11.764  -3.015
  111   1HG1  VAL  16          1HG1      VAL  16  -2.963 -12.400  -1.344
  112   2HG1  VAL  16          2HG1      VAL  16  -1.877 -11.052  -0.931
  113   3HG1  VAL  16          3HG1      VAL  16  -3.511 -10.720  -1.553
  114   1HG2  VAL  16          1HG2      VAL  16  -3.936 -11.931  -4.056
  115   2HG2  VAL  16          2HG2      VAL  16  -2.451 -12.395  -4.921
  116   3HG2  VAL  16          3HG2      VAL  16  -2.972 -13.315  -3.488
  117    H    SER  17           H        SER  17  -4.173 -10.305  -5.108
  118    HA   SER  17           HA       SER  17  -5.488  -7.954  -4.206
  119   1HB   SER  17          1HB       SER  17  -6.757 -10.152  -5.869
  120   2HB   SER  17          2HB       SER  17  -7.121  -8.438  -5.881
  121    HG   SER  17           HG       SER  17  -5.782  -9.277  -7.714
  122    H    ALA  18           H        ALA  18  -7.450  -7.845  -2.961
  123    HA   ALA  18           HA       ALA  18  -8.367 -10.361  -1.799
  124   1HB   ALA  18          1HB       ALA  18  -7.849  -9.808   0.357
  125   2HB   ALA  18          2HB       ALA  18  -6.570  -8.852  -0.431
  126   3HB   ALA  18          3HB       ALA  18  -8.084  -8.066   0.079
  127    H    CYS  19           H        CYS  19 -10.585 -10.414  -1.482
  128    HA   CYS  19           HA       CYS  19 -11.995  -8.112  -2.530
  129   1HB   CYS  19          1HB       CYS  19 -12.537 -10.296  -3.442
  130   2HB   CYS  19          2HB       CYS  19 -12.928 -10.906  -1.846
  131    H    LEU  20           H        LEU  20 -11.689  -6.656  -0.706
  132    HA   LEU  20           HA       LEU  20 -13.156  -7.510   1.693
  133   1HB   LEU  20          1HB       LEU  20 -10.540  -6.251   1.328
  134   2HB   LEU  20          2HB       LEU  20 -11.569  -5.391   2.457
  135    HG   LEU  20           HG       LEU  20 -11.926  -7.650   3.621
  136   1HD1  LEU  20          1HD1      LEU  20 -10.986  -9.494   2.826
  137   2HD1  LEU  20          2HD1      LEU  20 -10.424  -8.566   1.415
  138   3HD1  LEU  20          3HD1      LEU  20  -9.376  -8.732   2.844
  139   1HD2  LEU  20          1HD2      LEU  20 -10.505  -5.746   4.435
  140   2HD2  LEU  20          2HD2      LEU  20 -10.001  -7.358   4.998
  141   3HD2  LEU  20          3HD2      LEU  20  -9.106  -6.553   3.687
  142    H    HIS  21           H        HIS  21 -14.337  -5.740   2.827
  143    HA   HIS  21           HA       HIS  21 -15.406  -3.909   0.818
  144   1HB   HIS  21          1HB       HIS  21 -16.617  -4.845   3.434
  145   2HB   HIS  21          2HB       HIS  21 -17.384  -3.780   2.273
  146    HD1  HIS  21           1HD      HIS  21 -16.674  -7.371   2.974
  147    HD2  HIS  21           2HD      HIS  21 -18.192  -5.061  -0.182
  148    HE1  HIS  21           1HE      HIS  21 -17.786  -9.006   1.362
  149    H    GLU  22           H        GLU  22 -16.466  -1.868   2.199
  150    HA   GLU  22           HA       GLU  22 -14.206  -0.413   2.928
  151   1HB   GLU  22          1HB       GLU  22 -17.078   0.047   2.581
  152   2HB   GLU  22          2HB       GLU  22 -16.458   0.957   3.945
  153   1HG   GLU  22          1HG       GLU  22 -14.684   1.946   2.528
  154   2HG   GLU  22          2HG       GLU  22 -15.188   0.965   1.165
  155    H    SER  23           H        SER  23 -16.478  -2.429   4.729
  156    HA   SER  23           HA       SER  23 -15.816  -1.272   7.238
  157   1HB   SER  23          1HB       SER  23 -17.741  -3.161   6.197
  158   2HB   SER  23          2HB       SER  23 -16.922  -3.904   7.557
  159    HG   SER  23           HG       SER  23 -18.885  -2.077   7.634
  160    H    GLU  24           H        GLU  24 -14.012  -3.026   5.094
  161    HA   GLU  24           HA       GLU  24 -12.566  -4.314   7.272
  162   1HB   GLU  24          1HB       GLU  24 -13.885  -5.832   5.548
  163   2HB   GLU  24          2HB       GLU  24 -12.546  -5.469   4.477
  164   1HG   GLU  24          1HG       GLU  24 -11.938  -7.497   5.607
  165   2HG   GLU  24          2HG       GLU  24 -10.966  -6.238   6.341
  166    H    SER  25           H        SER  25 -10.202  -4.461   6.941
  167    HA   SER  25           HA       SER  25  -9.175  -2.931   4.738
  168   1HB   SER  25          1HB       SER  25  -9.449  -1.821   7.426
  169   2HB   SER  25          2HB       SER  25  -7.759  -1.894   6.967
  170    HG   SER  25           HG       SER  25  -8.073  -0.239   5.657
  171    H    CYS  26           H        CYS  26  -7.056  -3.591   4.184
  172    HA   CYS  26           HA       CYS  26  -5.860  -5.534   6.022
  173   1HB   CYS  26          1HB       CYS  26  -4.930  -6.416   3.670
  174   2HB   CYS  26          2HB       CYS  26  -6.367  -7.044   4.451
  175    H    LEU  27           H        LEU  27  -3.385  -5.837   5.254
  176    HA   LEU  27           HA       LEU  27  -2.167  -3.342   5.600
  177   1HB   LEU  27          1HB       LEU  27  -1.384  -5.766   6.120
  178   2HB   LEU  27          2HB       LEU  27  -0.767  -5.748   4.480
  179    HG   LEU  27           HG       LEU  27   0.542  -3.673   5.079
  180   1HD1  LEU  27          1HD1      LEU  27   0.776  -3.981   7.859
  181   2HD1  LEU  27          2HD1      LEU  27   0.060  -2.615   6.970
  182   3HD1  LEU  27          3HD1      LEU  27  -0.972  -3.956   7.524
  183   1HD2  LEU  27          1HD2      LEU  27   1.042  -6.365   6.320
  184   2HD2  LEU  27          2HD2      LEU  27   1.833  -5.590   4.927
  185   3HD2  LEU  27          3HD2      LEU  27   2.180  -5.020   6.578
  186    H    VAL  28           H        VAL  28  -3.140  -1.978   3.960
  187    HA   VAL  28           HA       VAL  28  -2.737  -2.621   1.211
  188    HB   VAL  28           HB       VAL  28  -4.433  -1.025   2.616
  189   1HG1  VAL  28          1HG1      VAL  28  -2.542   0.628   2.928
  190   2HG1  VAL  28          2HG1      VAL  28  -2.598   0.907   1.170
  191   3HG1  VAL  28          3HG1      VAL  28  -4.018   1.283   2.176
  192   1HG2  VAL  28          1HG2      VAL  28  -5.490  -0.996   0.643
  193   2HG2  VAL  28          2HG2      VAL  28  -4.174  -0.086  -0.138
  194   3HG2  VAL  28          3HG2      VAL  28  -4.080  -1.860  -0.015
  195    HA   PRO  29           HA       PRO  29   1.197  -0.908   0.711
  196   1HB   PRO  29          1HB       PRO  29   1.170  -0.189  -1.925
  197   2HB   PRO  29          2HB       PRO  29   1.422  -1.837  -1.384
  198   1HG   PRO  29          1HG       PRO  29  -0.991  -0.632  -2.592
  199   2HG   PRO  29          2HG       PRO  29  -0.568  -2.326  -2.440
  200   1HD   PRO  29          1HD       PRO  29  -2.462  -0.880  -0.844
  201   2HD   PRO  29          2HD       PRO  29  -1.954  -2.542  -0.619
  202    H    GLY  30           H        GLY  30   2.353   1.098  -0.604
  203   1HA   GLY  30          1HA       GLY  30   0.736   3.480  -0.096
  204   2HA   GLY  30          2HA       GLY  30   2.184   3.273   0.869
  205    H    ASP  31           H        ASP  31   1.667   5.406  -1.077
  206    HA   ASP  31           HA       ASP  31   3.509   4.671  -3.197
  207   1HB   ASP  31          1HB       ASP  31   1.785   7.175  -2.905
  208   2HB   ASP  31          2HB       ASP  31   2.701   6.720  -4.327
  209    H    CYS  32           H        CYS  32   5.618   5.477  -3.074
  210    HA   CYS  32           HA       CYS  32   6.100   7.531  -1.056
  211   1HB   CYS  32          1HB       CYS  32   7.832   5.383  -2.257
  212   2HB   CYS  32          2HB       CYS  32   8.539   6.768  -1.448
  213    H    CYS  33           H        CYS  33   6.353   9.592  -1.844
  214    HA   CYS  33           HA       CYS  33   7.000   9.866  -4.666
  215   1HB   CYS  33          1HB       CYS  33   5.319  11.282  -2.820
  216   2HB   CYS  33          2HB       CYS  33   6.519  12.388  -3.459
  217    H    ARG  34           H        ARG  34   9.021  10.579  -5.316
  218    HA   ARG  34           HA       ARG  34  10.689  11.711  -3.218
  219   1HB   ARG  34          1HB       ARG  34  11.535   9.471  -3.565
  220   2HB   ARG  34          2HB       ARG  34  11.393   9.604  -5.306
  221   1HG   ARG  34          1HG       ARG  34  13.213  11.224  -5.414
  222   2HG   ARG  34          2HG       ARG  34  13.250  11.386  -3.670
  223   1HD   ARG  34          1HD       ARG  34  13.561   8.578  -4.550
  224   2HD   ARG  34          2HD       ARG  34  14.817   9.624  -5.183
  225    HE   ARG  34           HE       ARG  34  14.238   9.930  -2.298
  226   1HH1  ARG  34          1HH1      ARG  34  16.303   8.451  -4.768
  227   2HH1  ARG  34          2HH1      ARG  34  17.600   8.125  -3.666
  228   1HH2  ARG  34          1HH2      ARG  34  17.368   8.749  -1.365
  229    H    GLY  35           H        GLY  35  10.325  13.875  -3.967
  230   1HA   GLY  35          1HA       GLY  35  10.839  15.704  -5.178
  231   2HA   GLY  35          2HA       GLY  35  11.976  14.741  -6.100
  232    H    LYS  36           H        LYS  36  11.197  13.476  -7.968
  233    HA   LYS  36           HA       LYS  36   8.540  14.282  -8.890
  234   1HB   LYS  36          1HB       LYS  36   9.333  14.960 -11.026
  235   2HB   LYS  36          2HB       LYS  36  10.278  15.827  -9.831
  236   1HG   LYS  36          1HG       LYS  36  12.223  14.577 -10.246
  237   2HG   LYS  36          2HG       LYS  36  11.336  13.177 -10.814
  238   1HD   LYS  36          1HD       LYS  36  12.237  14.065 -12.809
  239   2HD   LYS  36          2HD       LYS  36  10.598  14.686 -12.816
  240   1HE   LYS  36          1HE       LYS  36  12.975  16.247 -11.702
  241   2HE   LYS  36          2HE       LYS  36  12.409  16.407 -13.353
  242   1HZ   LYS  36          1HZ       LYS  36  11.070  17.977 -12.442
  243   2HZ   LYS  36          2HZ       LYS  36  10.127  16.740 -11.962
  244    H    SER  37           H        SER  37   9.922  11.825  -7.670
  245    HA   SER  37           HA       SER  37   9.204  10.054  -9.871
  246   1HB   SER  37          1HB       SER  37  11.605  10.016  -8.060
  247   2HB   SER  37          2HB       SER  37  10.918   8.470  -8.515
  248    HG   SER  37           HG       SER  37  12.047   8.697 -10.318
  249    H    ARG  38           H        ARG  38   7.300   9.065  -9.310
  250    HA   ARG  38           HA       ARG  38   6.751   8.755  -6.502
  251   1HB   ARG  38          1HB       ARG  38   4.462   7.945  -7.469
  252   2HB   ARG  38          2HB       ARG  38   4.870   9.639  -7.660
  253   1HG   ARG  38          1HG       ARG  38   5.194   9.456  -9.951
  254   2HG   ARG  38          2HG       ARG  38   5.808   7.818  -9.847
  255   1HD   ARG  38          1HD       ARG  38   2.873   8.541  -9.391
  256   2HD   ARG  38          2HD       ARG  38   3.511   8.039 -10.945
  257    HE   ARG  38           HE       ARG  38   3.061   6.329  -8.602
  258   1HH1  ARG  38          1HH1      ARG  38   4.786   6.639 -11.680
  259   2HH1  ARG  38          2HH1      ARG  38   5.023   4.933 -11.862
  260   1HH2  ARG  38          1HH2      ARG  38   4.183   3.446 -10.182
  261    H    LEU  39           H        LEU  39   6.174   6.670  -5.553
  262    HA   LEU  39           HA       LEU  39   6.707   4.347  -7.236
  263   1HB   LEU  39          1HB       LEU  39   8.218   5.167  -4.783
  264   2HB   LEU  39          2HB       LEU  39   7.978   3.465  -5.126
  265    HG   LEU  39           HG       LEU  39  10.098   4.021  -5.995
  266   1HD1  LEU  39          1HD1      LEU  39   9.946   3.253  -8.159
  267   2HD1  LEU  39          2HD1      LEU  39   8.360   2.775  -7.507
  268   3HD1  LEU  39          3HD1      LEU  39   8.503   4.227  -8.525
  269   1HD2  LEU  39          1HD2      LEU  39   9.153   6.596  -6.199
  270   2HD2  LEU  39          2HD2      LEU  39  10.732   6.015  -6.780
  271   3HD2  LEU  39          3HD2      LEU  39   9.354   6.120  -7.901
  272    H    THR  40           H        THR  40   5.919   2.298  -6.174
  273    HA   THR  40           HA       THR  40   3.968   2.749  -4.060
  274    HB   THR  40           HB       THR  40   3.332   1.820  -6.903
  275    HG1  THR  40           1HG      THR  40   2.052   3.713  -6.743
  276   1HG2  THR  40          1HG2      THR  40   2.215   0.397  -5.027
  277   2HG2  THR  40          2HG2      THR  40   1.404   1.905  -4.538
  278   3HG2  THR  40          3HG2      THR  40   1.120   1.227  -6.160
  279    H    LEU  41           H        LEU  41   4.706   1.390  -2.543
  280    HA   LEU  41           HA       LEU  41   4.822  -1.404  -3.254
  281   1HB   LEU  41          1HB       LEU  41   7.205  -0.524  -1.755
  282   2HB   LEU  41          2HB       LEU  41   7.009  -1.817  -2.922
  283    HG   LEU  41           HG       LEU  41   6.969   1.042  -3.850
  284   1HD1  LEU  41          1HD1      LEU  41   9.025   1.407  -3.083
  285   2HD1  LEU  41          2HD1      LEU  41   9.218  -0.287  -2.570
  286   3HD1  LEU  41          3HD1      LEU  41   9.583   0.182  -4.247
  287   1HD2  LEU  41          1HD2      LEU  41   6.675  -1.401  -5.129
  288   2HD2  LEU  41          2HD2      LEU  41   7.034   0.165  -5.895
  289   3HD2  LEU  41          3HD2      LEU  41   8.361  -0.941  -5.468
  290    H    CYS  42           H        CYS  42   5.600  -2.583  -0.989
  291    HA   CYS  42           HA       CYS  42   3.788  -1.396   0.971
  292   1HB   CYS  42          1HB       CYS  42   4.746  -4.250   0.667
  293   2HB   CYS  42          2HB       CYS  42   3.706  -3.671   1.952
  294    H    SER  43           H        SER  43   4.664  -0.594   2.864
  295    HA   SER  43           HA       SER  43   7.044  -1.725   3.910
  296   1HB   SER  43          1HB       SER  43   7.157   1.194   3.037
  297   2HB   SER  43          2HB       SER  43   8.436   0.291   3.823
  298    HG   SER  43           HG       SER  43   8.320  -1.190   1.883
  299    H    TYR  44           H        TYR  44   6.743  -1.697   6.110
  300    HA   TYR  44           HA       TYR  44   4.708   0.082   7.165
  301   1HB   TYR  44          1HB       TYR  44   6.420  -1.852   8.768
  302   2HB   TYR  44          2HB       TYR  44   4.702  -1.547   8.925
  303    HD1  TYR  44           1HD      TYR  44   6.461  -4.209   8.595
  304    HD2  TYR  44           2HD      TYR  44   3.891  -1.949   6.028
  305    HE1  TYR  44           1HE      TYR  44   5.960  -6.303   7.241
  306    HE2  TYR  44           2HE      TYR  44   3.398  -4.049   4.683
  307    HH   TYR  44           HH       TYR  44   3.919  -6.131   4.347
  308    H    GLY  45           H        GLY  45   5.108   1.217   9.277
  309   1HA   GLY  45          1HA       GLY  45   7.883   2.243   9.366
  310   2HA   GLY  45          2HA       GLY  45   6.454   3.220   9.641
  311    H    GLU  46           H        GLU  46   6.544   3.809  11.783
  312    HA   GLU  46           HA       GLU  46   7.504   1.941  13.705
  313   1HB   GLU  46          1HB       GLU  46   7.066   4.798  13.539
  314   2HB   GLU  46          2HB       GLU  46   6.272   4.194  14.979
  315   1HG   GLU  46          1HG       GLU  46   9.205   3.890  14.216
  316   2HG   GLU  46          2HG       GLU  46   8.547   4.737  15.601
  317    H    GLY  47           H        GLY  47   4.803   1.731  12.041
  318   1HA   GLY  47          1HA       GLY  47   3.328   0.477  14.173
  319   2HA   GLY  47          2HA       GLY  47   2.572   1.941  13.574
  320    H    GLY  48           H        GLY  48   3.463  -1.405  12.850
  321   1HA   GLY  48          1HA       GLY  48   3.211  -1.779  10.227
  322   2HA   GLY  48          2HA       GLY  48   2.443  -2.831  11.400
  323    H    ASN  49           H        ASN  49   0.610  -0.659  12.413
  324    HA   ASN  49           HA       ASN  49  -1.340  -0.997  10.337
  325   1HB   ASN  49          1HB       ASN  49  -1.386  -0.043  13.224
  326   2HB   ASN  49          2HB       ASN  49  -2.762   0.290  12.190
  327   1HD2  ASN  49          1HD2      ASN  49  -3.310  -1.733  10.741
  328   2HD2  ASN  49          2HD2      ASN  49  -3.531  -3.216  11.608
  329    H    GLY  50           H        GLY  50   0.744   0.721   9.508
  330   1HA   GLY  50          1HA       GLY  50  -0.605   3.048   8.742
  331   2HA   GLY  50          2HA       GLY  50   0.392   3.442  10.128
  332    H    PHE  51           H        PHE  51   0.470   1.941   6.845
  333    HA   PHE  51           HA       PHE  51   3.091   1.504   6.483
  334   1HB   PHE  51          1HB       PHE  51   1.382   1.126   4.754
  335   2HB   PHE  51          2HB       PHE  51   0.944   2.822   4.733
  336    HD1  PHE  51           1HD      PHE  51   2.980   0.298   3.258
  337    HD2  PHE  51           2HD      PHE  51   2.695   4.487   3.870
  338    HE1  PHE  51           1HE      PHE  51   4.565   0.684   1.351
  339    HE2  PHE  51           2HE      PHE  51   4.280   4.873   1.963
  340    HZ   PHE  51           HZ       PHE  51   5.197   2.967   0.726
  341    H    GLN  52           H        GLN  52   4.922   2.700   5.664
  342    HA   GLN  52           HA       GLN  52   4.633   5.580   5.851
  343   1HB   GLN  52          1HB       GLN  52   5.749   4.137   7.925
  344   2HB   GLN  52          2HB       GLN  52   7.172   4.518   6.975
  345   1HG   GLN  52          1HG       GLN  52   7.097   6.470   8.200
  346   2HG   GLN  52          2HG       GLN  52   6.005   6.962   6.920
  347   1HE2  GLN  52          1HE2      GLN  52   4.954   8.397   8.279
  348   2HE2  GLN  52          2HE2      GLN  52   3.828   7.897   9.497
  349    H    CYS  53           H        CYS  53   7.310   6.305   5.387
  350    HA   CYS  53           HA       CYS  53   7.923   4.881   2.903
  351   1HB   CYS  53          1HB       CYS  53   7.492   7.796   3.354
  352   2HB   CYS  53          2HB       CYS  53   8.766   7.322   2.247
  353    HA   PRO  54           HA       PRO  54  11.906   4.812   4.671
  354   1HB   PRO  54          1HB       PRO  54  13.440   4.271   2.475
  355   2HB   PRO  54          2HB       PRO  54  12.547   3.041   3.346
  356   1HG   PRO  54          1HG       PRO  54  11.929   4.281   0.735
  357   2HG   PRO  54          2HG       PRO  54  11.313   2.788   1.415
  358   1HD   PRO  54          1HD       PRO  54   9.933   5.297   1.252
  359   2HD   PRO  54          2HD       PRO  54   9.363   3.837   2.035
  360    H    THR  55           H        THR  55  14.264   5.659   4.391
  361    HA   THR  55           HA       THR  55  14.026   8.454   4.453
  362    HB   THR  55           HB       THR  55  16.398   6.532   4.226
  363    HG1  THR  55           1HG      THR  55  16.344   6.985   6.538
  364   1HG2  THR  55          1HG2      THR  55  16.249   9.525   4.362
  365   2HG2  THR  55          2HG2      THR  55  17.327   8.750   5.548
  366   3HG2  THR  55          3HG2      THR  55  17.583   8.484   3.806
  367    H    GLY  56           H        GLY  56  14.188  10.045   2.970
  368   1HA   GLY  56          1HA       GLY  56  14.905  11.005   0.991
  369   2HA   GLY  56          2HA       GLY  56  15.328   9.429   0.354
  370    H    TYR  57           H        TYR  57  12.377   8.869   1.752
  371    HA   TYR  57           HA       TYR  57  10.937   9.640  -0.697
  372   1HB   TYR  57          1HB       TYR  57  10.990   7.169   1.120
  373   2HB   TYR  57          2HB       TYR  57   9.591   7.476   0.112
  374    HD1  TYR  57           1HD      TYR  57  10.002   7.732  -2.442
  375    HD2  TYR  57           2HD      TYR  57  12.848   6.019   0.254
  376    HE1  TYR  57           1HE      TYR  57  11.158   6.574  -4.387
  377    HE2  TYR  57           2HE      TYR  57  13.996   4.868  -1.700
  378    HH   TYR  57           HH       TYR  57  12.596   4.958  -4.920
  379    H    ARG  58           H        ARG  58   8.676  10.177  -0.454
  380    HA   ARG  58           HA       ARG  58   7.817  10.512   2.282
  381   1HB   ARG  58          1HB       ARG  58   8.914  12.674   1.079
  382   2HB   ARG  58          2HB       ARG  58   7.309  12.811   0.391
  383   1HG   ARG  58          1HG       ARG  58   7.388  12.283   3.332
  384   2HG   ARG  58          2HG       ARG  58   8.027  13.839   2.838
  385   1HD   ARG  58          1HD       ARG  58   5.760  13.832   1.333
  386   2HD   ARG  58          2HD       ARG  58   5.219  12.781   2.627
  387    HE   ARG  58           HE       ARG  58   5.070  14.663   3.988
  388   1HH1  ARG  58          1HH1      ARG  58   7.495  15.314   1.488
  389   2HH1  ARG  58          2HH1      ARG  58   7.787  16.936   2.019
  390   1HH2  ARG  58          1HH2      ARG  58   6.576  17.791   3.903
  391    H    GLN  59           H        GLN  59   5.765   9.658   2.432
  392    HA   GLN  59           HA       GLN  59   4.395   8.495   0.519
  393   1HB   GLN  59          1HB       GLN  59   2.300   8.978   1.873
  394   2HB   GLN  59          2HB       GLN  59   3.645   8.339   2.796
  395   1HG   GLN  59          1HG       GLN  59   4.186  10.496   3.716
  396   2HG   GLN  59          2HG       GLN  59   3.200  11.339   2.537
  397   1HE2  GLN  59          1HE2      GLN  59   0.854  10.775   2.524
  398   2HE2  GLN  59          2HE2      GLN  59   0.053  10.567   4.046
  399    H    CYS  60           H        CYS  60   3.298   9.008  -1.341
  400    HA   CYS  60           HA       CYS  60   3.214  11.762  -2.095
  401   1HB   CYS  60          1HB       CYS  60   3.588   9.497  -3.493
  402   2HB   CYS  60          2HB       CYS  60   1.864   9.688  -3.742
  Start of MODEL   10
    1   1H    ASP   1          1H        ASP   1 -25.985  -6.007  -5.875
    2    HA   ASP   1           HA       ASP   1 -23.614  -4.750  -5.704
    3   1HB   ASP   1          1HB       ASP   1 -24.680  -6.196  -3.270
    4   2HB   ASP   1          2HB       ASP   1 -24.025  -4.574  -3.378
    5    H    ARG   2           H        ARG   2 -21.804  -5.434  -3.937
    6    HA   ARG   2           HA       ARG   2 -21.273  -7.962  -3.258
    7   1HB   ARG   2          1HB       ARG   2 -19.398  -8.350  -5.189
    8   2HB   ARG   2          2HB       ARG   2 -21.022  -8.996  -5.314
    9   1HG   ARG   2          1HG       ARG   2 -21.608  -7.558  -7.003
   10   2HG   ARG   2          2HG       ARG   2 -20.802  -6.192  -6.258
   11   1HD   ARG   2          1HD       ARG   2 -19.205  -6.421  -7.868
   12   2HD   ARG   2          2HD       ARG   2 -18.657  -7.834  -6.990
   13    HE   ARG   2           HE       ARG   2 -20.717  -8.849  -8.517
   14   1HH1  ARG   2          1HH1      ARG   2 -17.856  -6.917  -9.317
   15   2HH1  ARG   2          2HH1      ARG   2 -17.717  -7.561 -10.919
   16   1HH2  ARG   2          1HH2      ARG   2 -19.301  -9.194 -11.670
   17    H    CYS   3           H        CYS   3 -18.830  -8.291  -2.743
   18    HA   CYS   3           HA       CYS   3 -17.854  -6.032  -1.508
   19   1HB   CYS   3          1HB       CYS   3 -16.173  -7.345  -0.750
   20   2HB   CYS   3          2HB       CYS   3 -17.303  -8.588  -1.252
   21    H    ARG   4           H        ARG   4 -15.759  -4.857  -2.018
   22    HA   ARG   4           HA       ARG   4 -15.626  -4.458  -4.890
   23   1HB   ARG   4          1HB       ARG   4 -16.101  -2.570  -3.042
   24   2HB   ARG   4          2HB       ARG   4 -14.356  -2.568  -2.895
   25   1HG   ARG   4          1HG       ARG   4 -14.504  -1.032  -4.605
   26   2HG   ARG   4          2HG       ARG   4 -14.520  -2.475  -5.599
   27   1HD   ARG   4          1HD       ARG   4 -16.387  -1.234  -6.391
   28   2HD   ARG   4          2HD       ARG   4 -17.112  -2.430  -5.337
   29    HE   ARG   4           HE       ARG   4 -16.458  -0.071  -3.815
   30   1HH1  ARG   4          1HH1      ARG   4 -18.794  -1.250  -6.204
   31   2HH1  ARG   4          2HH1      ARG   4 -20.045  -0.161  -5.703
   32   1HH2  ARG   4          1HH2      ARG   4 -19.619   1.369  -3.908
   33    H    TYR   5           H        TYR   5 -14.117  -6.137  -5.424
   34    HA   TYR   5           HA       TYR   5 -11.942  -6.982  -4.106
   35   1HB   TYR   5          1HB       TYR   5 -12.247  -6.212  -7.077
   36   2HB   TYR   5          2HB       TYR   5 -11.035  -7.332  -6.486
   37    HD1  TYR   5           1HD      TYR   5 -14.479  -6.927  -7.521
   38    HD2  TYR   5           2HD      TYR   5 -11.773  -9.531  -5.468
   39    HE1  TYR   5           1HE      TYR   5 -16.113  -8.855  -7.796
   40    HE2  TYR   5           2HE      TYR   5 -13.418 -11.449  -5.750
   41    HH   TYR   5           HH       TYR   5 -15.308 -11.952  -7.526
   42    H    THR   6           H        THR   6 -10.301  -5.933  -3.103
   43    HA   THR   6           HA       THR   6  -9.213  -3.560  -4.473
   44    HB   THR   6           HB       THR   6  -9.135  -4.075  -1.471
   45    HG1  THR   6           1HG      THR   6 -11.366  -4.135  -2.289
   46   1HG2  THR   6          1HG2      THR   6  -9.565  -1.397  -1.884
   47   2HG2  THR   6          2HG2      THR   6  -7.938  -2.105  -1.745
   48   3HG2  THR   6          3HG2      THR   6  -8.638  -1.793  -3.351
   49    H    LEU   7           H        LEU   7  -6.870  -3.114  -3.855
   50    HA   LEU   7           HA       LEU   7  -5.476  -5.686  -3.986
   51   1HB   LEU   7          1HB       LEU   7  -4.770  -2.923  -4.961
   52   2HB   LEU   7          2HB       LEU   7  -3.598  -4.222  -4.869
   53    HG   LEU   7           HG       LEU   7  -5.763  -5.330  -6.265
   54   1HD1  LEU   7          1HD1      LEU   7  -6.752  -3.817  -7.572
   55   2HD1  LEU   7          2HD1      LEU   7  -6.113  -2.597  -6.445
   56   3HD1  LEU   7          3HD1      LEU   7  -5.217  -2.991  -7.931
   57   1HD2  LEU   7          1HD2      LEU   7  -3.374  -4.150  -7.656
   58   2HD2  LEU   7          2HD2      LEU   7  -3.183  -5.498  -6.511
   59   3HD2  LEU   7          3HD2      LEU   7  -4.214  -5.691  -7.950
   60    H    CYS   8           H        CYS   8  -4.848  -6.368  -2.002
   61    HA   CYS   8           HA       CYS   8  -3.743  -4.309  -0.232
   62   1HB   CYS   8          1HB       CYS   8  -4.961  -6.919   0.668
   63   2HB   CYS   8          2HB       CYS   8  -4.474  -5.559   1.660
   64    H    CYS   9           H        CYS   9  -1.893  -5.100   1.135
   65    HA   CYS   9           HA       CYS   9  -0.247  -6.872  -0.445
   66   1HB   CYS   9          1HB       CYS   9   0.580  -5.449   2.077
   67   2HB   CYS   9          2HB       CYS   9   1.595  -6.059   0.785
   68    H    ASP  10           H        ASP  10   1.022  -8.625   0.737
   69    HA   ASP  10           HA       ASP  10  -0.812 -10.023   2.439
   70   1HB   ASP  10          1HB       ASP  10   1.828 -10.715   1.097
   71   2HB   ASP  10          2HB       ASP  10   1.120 -11.791   2.284
   72    H    GLY  11           H        GLY  11   1.685  -7.752   2.783
   73   1HA   GLY  11          1HA       GLY  11   2.498  -6.930   4.773
   74   2HA   GLY  11          2HA       GLY  11   2.033  -8.404   5.598
   75    H    ALA  12           H        ALA  12   3.272 -10.238   3.606
   76    HA   ALA  12           HA       ALA  12   6.068  -9.528   3.605
   77   1HB   ALA  12          1HB       ALA  12   5.138 -10.725   5.884
   78   2HB   ALA  12          2HB       ALA  12   5.566 -12.148   4.905
   79   3HB   ALA  12          3HB       ALA  12   6.795 -10.910   5.261
   80    H    LEU  13           H        LEU  13   5.124  -9.611   1.297
   81    HA   LEU  13           HA       LEU  13   6.080 -11.871   0.031
   82   1HB   LEU  13          1HB       LEU  13   3.278 -12.079   0.907
   83   2HB   LEU  13          2HB       LEU  13   3.538 -12.425  -0.791
   84    HG   LEU  13           HG       LEU  13   5.489 -13.772   0.924
   85   1HD1  LEU  13          1HD1      LEU  13   3.600 -13.728   2.510
   86   2HD1  LEU  13          2HD1      LEU  13   2.574 -14.518   1.287
   87   3HD1  LEU  13          3HD1      LEU  13   3.987 -15.374   1.951
   88   1HD2  LEU  13          1HD2      LEU  13   5.355 -15.379  -0.650
   89   2HD2  LEU  13          2HD2      LEU  13   3.580 -15.305  -0.738
   90   3HD2  LEU  13          3HD2      LEU  13   4.564 -14.094  -1.593
   91    H    LYS  14           H        LYS  14   2.954 -10.615  -1.061
   92    HA   LYS  14           HA       LYS  14   4.191  -8.435  -2.485
   93   1HB   LYS  14          1HB       LYS  14   3.456 -11.009  -3.805
   94   2HB   LYS  14          2HB       LYS  14   3.031  -9.529  -4.642
   95   1HG   LYS  14          1HG       LYS  14   5.186  -9.192  -5.261
   96   2HG   LYS  14          2HG       LYS  14   5.723  -9.258  -3.595
   97   1HD   LYS  14          1HD       LYS  14   5.219 -11.696  -5.367
   98   2HD   LYS  14          2HD       LYS  14   6.798 -11.020  -5.018
   99   1HE   LYS  14          1HE       LYS  14   6.610 -11.560  -2.656
  100   2HE   LYS  14          2HE       LYS  14   4.907 -11.944  -2.811
  101   1HZ   LYS  14          1HZ       LYS  14   6.858 -13.780  -2.959
  102   2HZ   LYS  14          2HZ       LYS  14   5.393 -13.990  -3.640
  103    H    ALA  15           H        ALA  15   2.216  -7.675  -4.173
  104    HA   ALA  15           HA       ALA  15  -0.035  -7.351  -2.326
  105   1HB   ALA  15          1HB       ALA  15  -0.510  -5.322  -3.626
  106   2HB   ALA  15          2HB       ALA  15   1.179  -5.313  -3.062
  107   3HB   ALA  15          3HB       ALA  15   0.808  -5.718  -4.755
  108    H    VAL  16           H        VAL  16  -1.997  -8.240  -2.794
  109    HA   VAL  16           HA       VAL  16  -2.464  -9.054  -5.567
  110    HB   VAL  16           HB       VAL  16  -1.631 -10.876  -3.848
  111   1HG1  VAL  16          1HG1      VAL  16  -3.795 -10.089  -2.431
  112   2HG1  VAL  16          2HG1      VAL  16  -4.521 -11.395  -3.397
  113   3HG1  VAL  16          3HG1      VAL  16  -3.115 -11.732  -2.359
  114   1HG2  VAL  16          1HG2      VAL  16  -2.386 -11.158  -6.244
  115   2HG2  VAL  16          2HG2      VAL  16  -2.686 -12.554  -5.181
  116   3HG2  VAL  16          3HG2      VAL  16  -4.024 -11.463  -5.614
  117    H    SER  17           H        SER  17  -4.922  -9.740  -5.755
  118    HA   SER  17           HA       SER  17  -6.348  -7.543  -4.550
  119   1HB   SER  17          1HB       SER  17  -7.533  -9.502  -6.534
  120   2HB   SER  17          2HB       SER  17  -7.954  -7.820  -6.276
  121    HG   SER  17           HG       SER  17  -5.531  -7.506  -6.987
  122    H    ALA  18           H        ALA  18  -8.013  -7.792  -3.037
  123    HA   ALA  18           HA       ALA  18  -8.719 -10.564  -2.360
  124   1HB   ALA  18          1HB       ALA  18  -7.382 -10.037  -0.545
  125   2HB   ALA  18          2HB       ALA  18  -7.740  -8.296  -0.647
  126   3HB   ALA  18          3HB       ALA  18  -8.947  -9.416   0.031
  127    H    CYS  19           H        CYS  19 -10.881 -10.748  -1.296
  128    HA   CYS  19           HA       CYS  19 -12.657  -8.757  -2.467
  129   1HB   CYS  19          1HB       CYS  19 -13.054 -11.040  -3.163
  130   2HB   CYS  19          2HB       CYS  19 -13.169 -11.575  -1.498
  131    H    LEU  20           H        LEU  20 -12.479  -7.102  -0.850
  132    HA   LEU  20           HA       LEU  20 -13.593  -7.898   1.748
  133   1HB   LEU  20          1HB       LEU  20 -12.024  -6.776   2.914
  134   2HB   LEU  20          2HB       LEU  20 -11.052  -7.285   1.548
  135    HG   LEU  20           HG       LEU  20 -12.228  -4.737   0.935
  136   1HD1  LEU  20          1HD1      LEU  20 -10.636  -4.714   3.511
  137   2HD1  LEU  20          2HD1      LEU  20 -11.355  -3.326   2.661
  138   3HD1  LEU  20          3HD1      LEU  20 -12.405  -4.545   3.422
  139   1HD2  LEU  20          1HD2      LEU  20  -9.618  -4.198   1.144
  140   2HD2  LEU  20          2HD2      LEU  20  -9.530  -5.976   1.118
  141   3HD2  LEU  20          3HD2      LEU  20 -10.312  -5.104  -0.223
  142    H    HIS  21           H        HIS  21 -14.595  -5.931   2.907
  143    HA   HIS  21           HA       HIS  21 -15.936  -4.316   0.863
  144   1HB   HIS  21          1HB       HIS  21 -17.008  -5.236   3.544
  145   2HB   HIS  21          2HB       HIS  21 -17.865  -4.238   2.385
  146    HD1  HIS  21           1HD      HIS  21 -16.761  -7.784   3.011
  147    HD2  HIS  21           2HD      HIS  21 -18.907  -5.609   0.137
  148    HE1  HIS  21           1HE      HIS  21 -17.910  -9.508   1.521
  149    H    GLU  22           H        GLU  22 -17.030  -2.284   2.222
  150    HA   GLU  22           HA       GLU  22 -14.775  -0.760   2.900
  151   1HB   GLU  22          1HB       GLU  22 -17.639  -0.337   2.443
  152   2HB   GLU  22          2HB       GLU  22 -17.062   0.644   3.776
  153   1HG   GLU  22          1HG       GLU  22 -15.522   0.514   1.156
  154   2HG   GLU  22          2HG       GLU  22 -16.879   1.607   1.346
  155    H    SER  23           H        SER  23 -17.045  -2.750   4.709
  156    HA   SER  23           HA       SER  23 -16.526  -1.460   7.185
  157   1HB   SER  23          1HB       SER  23 -18.342  -3.456   6.160
  158   2HB   SER  23          2HB       SER  23 -17.541  -4.124   7.569
  159    HG   SER  23           HG       SER  23 -18.918  -2.961   8.714
  160    H    GLU  24           H        GLU  24 -14.590  -3.261   5.185
  161    HA   GLU  24           HA       GLU  24 -13.133  -4.315   7.474
  162   1HB   GLU  24          1HB       GLU  24 -14.412  -6.048   5.942
  163   2HB   GLU  24          2HB       GLU  24 -13.103  -5.760   4.814
  164   1HG   GLU  24          1HG       GLU  24 -12.443  -7.650   6.163
  165   2HG   GLU  24          2HG       GLU  24 -11.461  -6.296   6.686
  166    H    SER  25           H        SER  25 -10.752  -4.524   7.075
  167    HA   SER  25           HA       SER  25  -9.880  -2.903   4.830
  168   1HB   SER  25          1HB       SER  25  -8.352  -1.621   6.239
  169   2HB   SER  25          2HB       SER  25  -9.984  -1.444   6.853
  170    HG   SER  25           HG       SER  25  -9.327  -3.380   8.298
  171    H    CYS  26           H        CYS  26  -7.292  -3.060   4.731
  172    HA   CYS  26           HA       CYS  26  -6.316  -5.553   5.793
  173   1HB   CYS  26          1HB       CYS  26  -5.497  -6.022   3.303
  174   2HB   CYS  26          2HB       CYS  26  -6.970  -6.693   3.973
  175    H    LEU  27           H        LEU  27  -3.881  -5.774   4.864
  176    HA   LEU  27           HA       LEU  27  -2.581  -3.393   5.612
  177   1HB   LEU  27          1HB       LEU  27  -1.881  -5.910   5.728
  178   2HB   LEU  27          2HB       LEU  27  -1.241  -5.620   4.122
  179    HG   LEU  27           HG       LEU  27   0.423  -5.410   5.974
  180   1HD1  LEU  27          1HD1      LEU  27   0.076  -2.799   4.491
  181   2HD1  LEU  27          2HD1      LEU  27   1.585  -3.579   5.023
  182   3HD1  LEU  27          3HD1      LEU  27   0.623  -4.302   3.711
  183   1HD2  LEU  27          1HD2      LEU  27  -0.559  -2.706   6.697
  184   2HD2  LEU  27          2HD2      LEU  27  -1.472  -4.086   7.356
  185   3HD2  LEU  27          3HD2      LEU  27   0.273  -3.936   7.679
  186    H    VAL  28           H        VAL  28  -3.208  -1.651   4.308
  187    HA   VAL  28           HA       VAL  28  -3.065  -1.901   1.456
  188    HB   VAL  28           HB       VAL  28  -3.545   0.414   3.337
  189   1HG1  VAL  28          1HG1      VAL  28  -3.960   1.840   1.535
  190   2HG1  VAL  28          2HG1      VAL  28  -2.507   0.952   1.017
  191   3HG1  VAL  28          3HG1      VAL  28  -4.104   0.497   0.375
  192   1HG2  VAL  28          1HG2      VAL  28  -5.617  -0.402   3.455
  193   2HG2  VAL  28          2HG2      VAL  28  -5.789  -0.128   1.705
  194   3HG2  VAL  28          3HG2      VAL  28  -5.213  -1.701   2.306
  195    HA   PRO  29           HA       PRO  29   1.093  -0.760   1.089
  196   1HB   PRO  29          1HB       PRO  29   1.168  -0.057  -1.551
  197   2HB   PRO  29          2HB       PRO  29   1.238  -1.719  -1.000
  198   1HG   PRO  29          1HG       PRO  29  -1.022  -0.273  -2.237
  199   2HG   PRO  29          2HG       PRO  29  -0.784  -2.001  -2.074
  200   1HD   PRO  29          1HD       PRO  29  -2.529  -0.352  -0.502
  201   2HD   PRO  29          2HD       PRO  29  -2.202  -2.058  -0.265
  202    H    GLY  30           H        GLY  30   2.449   1.111  -0.265
  203   1HA   GLY  30          1HA       GLY  30   1.095   3.649   0.256
  204   2HA   GLY  30          2HA       GLY  30   2.529   3.295   1.199
  205    H    ASP  31           H        ASP  31   2.156   5.451  -0.790
  206    HA   ASP  31           HA       ASP  31   4.137   4.554  -2.733
  207   1HB   ASP  31          1HB       ASP  31   2.237   6.912  -3.069
  208   2HB   ASP  31          2HB       ASP  31   3.229   6.168  -4.307
  209    H    CYS  32           H        CYS  32   6.109   5.351  -1.949
  210    HA   CYS  32           HA       CYS  32   6.111   7.853  -0.506
  211   1HB   CYS  32          1HB       CYS  32   8.533   6.185  -1.139
  212   2HB   CYS  32          2HB       CYS  32   8.299   7.327   0.170
  213    H    CYS  33           H        CYS  33   6.603   9.795  -1.486
  214    HA   CYS  33           HA       CYS  33   7.941   9.628  -4.088
  215   1HB   CYS  33          1HB       CYS  33   6.614  11.369  -4.952
  216   2HB   CYS  33          2HB       CYS  33   5.515  10.203  -4.242
  217    H    ARG  34           H        ARG  34   9.455  11.390  -4.516
  218    HA   ARG  34           HA       ARG  34   9.858  13.309  -2.457
  219   1HB   ARG  34          1HB       ARG  34  11.138  11.478  -1.464
  220   2HB   ARG  34          2HB       ARG  34  11.918  11.116  -2.991
  221   1HG   ARG  34          1HG       ARG  34  13.598  12.381  -2.006
  222   2HG   ARG  34          2HG       ARG  34  12.725  13.663  -2.822
  223   1HD   ARG  34          1HD       ARG  34  11.657  13.020  -0.121
  224   2HD   ARG  34          2HD       ARG  34  13.306  13.612  -0.105
  225    HE   ARG  34           HE       ARG  34  11.424  15.169  -1.768
  226   1HH1  ARG  34          1HH1      ARG  34  13.029  14.855   1.374
  227   2HH1  ARG  34          2HH1      ARG  34  12.773  16.512   1.810
  228   1HH2  ARG  34          1HH2      ARG  34  11.627  17.963   0.285
  229    H    GLY  35           H        GLY  35  10.537  15.196  -3.457
  230   1HA   GLY  35          1HA       GLY  35  11.474  16.578  -4.970
  231   2HA   GLY  35          2HA       GLY  35  12.447  15.244  -5.554
  232    H    LYS  36           H        LYS  36  11.709  13.925  -7.312
  233    HA   LYS  36           HA       LYS  36   9.161  14.694  -8.496
  234   1HB   LYS  36          1HB       LYS  36  10.066  15.213 -10.622
  235   2HB   LYS  36          2HB       LYS  36  10.971  16.158  -9.455
  236   1HG   LYS  36          1HG       LYS  36  12.931  15.079  -9.920
  237   2HG   LYS  36          2HG       LYS  36  12.172  13.499  -9.902
  238   1HD   LYS  36          1HD       LYS  36  12.813  13.699 -12.156
  239   2HD   LYS  36          2HD       LYS  36  11.137  14.208 -12.214
  240   1HE   LYS  36          1HE       LYS  36  11.709  16.299 -12.902
  241   2HE   LYS  36          2HE       LYS  36  12.850  16.491 -11.586
  242   1HZ   LYS  36          1HZ       LYS  36  14.429  16.308 -13.160
  243   2HZ   LYS  36          2HZ       LYS  36  14.074  14.725 -13.297
  244    H    SER  37           H        SER  37  10.353  12.364  -6.970
  245    HA   SER  37           HA       SER  37   9.845  10.404  -9.066
  246   1HB   SER  37          1HB       SER  37  12.004  10.421  -6.940
  247   2HB   SER  37          2HB       SER  37  11.414   8.898  -7.576
  248    HG   SER  37           HG       SER  37  12.138  10.925  -9.452
  249    H    ARG  38           H        ARG  38   8.817   8.382  -8.276
  250    HA   ARG  38           HA       ARG  38   7.877   8.471  -5.569
  251   1HB   ARG  38          1HB       ARG  38   6.112   9.739  -6.710
  252   2HB   ARG  38          2HB       ARG  38   5.999   8.538  -7.980
  253   1HG   ARG  38          1HG       ARG  38   5.278   6.834  -6.257
  254   2HG   ARG  38          2HG       ARG  38   5.309   8.093  -5.038
  255   1HD   ARG  38          1HD       ARG  38   3.052   8.151  -5.661
  256   2HD   ARG  38          2HD       ARG  38   3.706   9.389  -6.714
  257    HE   ARG  38           HE       ARG  38   3.977   7.027  -8.180
  258   1HH1  ARG  38          1HH1      ARG  38   1.269   8.739  -6.667
  259   2HH1  ARG  38          2HH1      ARG  38   0.102   8.158  -7.809
  260   1HH2  ARG  38          1HH2      ARG  38   0.813   6.702  -9.575
  261    H    LEU  39           H        LEU  39   7.032   6.353  -4.857
  262    HA   LEU  39           HA       LEU  39   7.086   4.204  -6.780
  263   1HB   LEU  39          1HB       LEU  39   9.274   3.859  -6.454
  264   2HB   LEU  39          2HB       LEU  39   9.314   4.747  -4.944
  265    HG   LEU  39           HG       LEU  39   8.016   2.041  -5.016
  266   1HD1  LEU  39          1HD1      LEU  39  10.552   1.446  -4.197
  267   2HD1  LEU  39          2HD1      LEU  39   9.898   1.131  -5.822
  268   3HD1  LEU  39          3HD1      LEU  39  10.861   2.598  -5.519
  269   1HD2  LEU  39          1HD2      LEU  39   8.204   2.080  -2.760
  270   2HD2  LEU  39          2HD2      LEU  39   9.745   2.970  -2.786
  271   3HD2  LEU  39          3HD2      LEU  39   8.211   3.838  -3.038
  272    H    THR  40           H        THR  40   5.807   2.458  -6.124
  273    HA   THR  40           HA       THR  40   4.572   2.779  -3.467
  274    HB   THR  40           HB       THR  40   3.225   1.754  -6.015
  275    HG1  THR  40           1HG      THR  40   2.929   3.917  -6.433
  276   1HG2  THR  40          1HG2      THR  40   1.857   1.145  -4.155
  277   2HG2  THR  40          2HG2      THR  40   2.316   2.598  -3.235
  278   3HG2  THR  40          3HG2      THR  40   1.215   2.738  -4.625
  279    H    LEU  41           H        LEU  41   4.792   1.116  -2.109
  280    HA   LEU  41           HA       LEU  41   4.963  -1.553  -3.192
  281   1HB   LEU  41          1HB       LEU  41   7.297  -0.085  -2.119
  282   2HB   LEU  41          2HB       LEU  41   7.073  -1.715  -1.515
  283    HG   LEU  41           HG       LEU  41   6.843  -1.470  -4.447
  284   1HD1  LEU  41          1HD1      LEU  41   9.637  -1.541  -4.008
  285   2HD1  LEU  41          2HD1      LEU  41   8.684  -0.309  -4.870
  286   3HD1  LEU  41          3HD1      LEU  41   9.009  -0.126  -3.130
  287   1HD2  LEU  41          1HD2      LEU  41   8.764  -3.352  -3.855
  288   2HD2  LEU  41          2HD2      LEU  41   7.710  -3.399  -2.421
  289   3HD2  LEU  41          3HD2      LEU  41   7.019  -3.658  -4.041
  290    H    CYS  42           H        CYS  42   5.692  -2.914  -0.873
  291    HA   CYS  42           HA       CYS  42   3.687  -1.935   1.028
  292   1HB   CYS  42          1HB       CYS  42   4.276  -4.843   0.472
  293   2HB   CYS  42          2HB       CYS  42   3.011  -4.183   1.489
  294    H    SER  43           H        SER  43   4.750  -1.288   2.869
  295    HA   SER  43           HA       SER  43   6.586  -3.074   4.077
  296   1HB   SER  43          1HB       SER  43   7.570  -0.632   2.638
  297   2HB   SER  43          2HB       SER  43   8.278  -0.954   4.210
  298    HG   SER  43           HG       SER  43   9.000  -2.992   3.493
  299    H    TYR  44           H        TYR  44   6.411  -2.826   6.301
  300    HA   TYR  44           HA       TYR  44   5.373  -0.252   7.263
  301   1HB   TYR  44          1HB       TYR  44   4.486  -3.151   7.632
  302   2HB   TYR  44          2HB       TYR  44   4.227  -2.037   8.959
  303    HD1  TYR  44           1HD      TYR  44   2.131  -1.064   9.084
  304    HD2  TYR  44           2HD      TYR  44   3.692  -2.094   5.236
  305    HE1  TYR  44           1HE      TYR  44  -0.025  -0.274   7.991
  306    HE2  TYR  44           2HE      TYR  44   1.532  -1.301   4.156
  307    HH   TYR  44           HH       TYR  44  -1.096  -1.110   5.317
  308    H    GLY  45           H        GLY  45   5.407  -0.504   9.910
  309   1HA   GLY  45          1HA       GLY  45   7.763  -1.913  10.833
  310   2HA   GLY  45          2HA       GLY  45   7.934  -0.170  10.765
  311    H    GLU  46           H        GLU  46   6.595   1.202  12.115
  312    HA   GLU  46           HA       GLU  46   5.203  -0.307  14.187
  313   1HB   GLU  46          1HB       GLU  46   6.969   2.156  14.519
  314   2HB   GLU  46          2HB       GLU  46   5.956   1.505  15.791
  315   1HG   GLU  46          1HG       GLU  46   8.134  -0.082  14.349
  316   2HG   GLU  46          2HG       GLU  46   8.356   0.714  15.895
  317    H    GLY  47           H        GLY  47   3.329   0.761  15.145
  318   1HA   GLY  47          1HA       GLY  47   1.518   1.858  13.517
  319   2HA   GLY  47          2HA       GLY  47   1.609   2.241  15.225
  320    H    GLY  48           H        GLY  48   3.974   3.742  15.420
  321   1HA   GLY  48          1HA       GLY  48   3.257   6.293  14.934
  322   2HA   GLY  48          2HA       GLY  48   4.921   5.745  14.957
  323    H    ASN  49           H        ASN  49   4.997   4.095  12.634
  324    HA   ASN  49           HA       ASN  49   4.268   6.001  10.557
  325   1HB   ASN  49          1HB       ASN  49   6.895   4.456  10.864
  326   2HB   ASN  49          2HB       ASN  49   6.444   5.291   9.391
  327   1HD2  ASN  49          1HD2      ASN  49   8.724   5.816  10.964
  328   2HD2  ASN  49          2HD2      ASN  49   8.630   7.432  11.583
  329    H    GLY  50           H        GLY  50   2.409   4.576  10.107
  330   1HA   GLY  50          1HA       GLY  50   2.226   1.913   9.905
  331   2HA   GLY  50          2HA       GLY  50   1.456   3.007   8.774
  332    H    PHE  51           H        PHE  51   2.905   3.827   6.900
  333    HA   PHE  51           HA       PHE  51   4.033   1.523   5.665
  334   1HB   PHE  51          1HB       PHE  51   2.710   3.672   4.762
  335   2HB   PHE  51          2HB       PHE  51   4.286   4.438   4.774
  336    HD1  PHE  51           1HD      PHE  51   4.736   4.741   2.502
  337    HD2  PHE  51           2HD      PHE  51   3.473   0.926   3.866
  338    HE1  PHE  51           1HE      PHE  51   5.224   3.770   0.239
  339    HE2  PHE  51           2HE      PHE  51   3.963  -0.045   1.604
  340    HZ   PHE  51           HZ       PHE  51   4.832   1.388  -0.182
  341    H    GLN  52           H        GLN  52   6.226   1.384   4.757
  342    HA   GLN  52           HA       GLN  52   8.102   2.865   6.430
  343   1HB   GLN  52          1HB       GLN  52   7.810   0.042   5.926
  344   2HB   GLN  52          2HB       GLN  52   9.342   0.552   5.244
  345   1HG   GLN  52          1HG       GLN  52   8.807   1.727   7.914
  346   2HG   GLN  52          2HG       GLN  52   8.878  -0.025   7.934
  347   1HE2  GLN  52          1HE2      GLN  52  10.730   1.481   9.251
  348   2HE2  GLN  52          2HE2      GLN  52  12.287   1.349   8.504
  349    H    CYS  53           H        CYS  53   8.468   4.654   5.066
  350    HA   CYS  53           HA       CYS  53   9.019   4.183   2.289
  351   1HB   CYS  53          1HB       CYS  53   8.927   6.659   4.007
  352   2HB   CYS  53          2HB       CYS  53   9.480   6.698   2.345
  353    HA   PRO  54           HA       PRO  54  13.312   3.789   3.018
  354   1HB   PRO  54          1HB       PRO  54  14.198   3.855   0.435
  355   2HB   PRO  54          2HB       PRO  54  13.568   2.407   1.194
  356   1HG   PRO  54          1HG       PRO  54  12.275   4.170  -0.797
  357   2HG   PRO  54          2HG       PRO  54  11.859   2.526  -0.351
  358   1HD   PRO  54          1HD       PRO  54  10.496   4.920   0.449
  359   2HD   PRO  54          2HD       PRO  54  10.152   3.287   0.988
  360    H    THR  55           H        THR  55  15.482   4.829   2.586
  361    HA   THR  55           HA       THR  55  15.195   7.557   3.191
  362    HB   THR  55           HB       THR  55  17.533   5.796   2.299
  363    HG1  THR  55           1HG      THR  55  17.632   5.554   4.530
  364   1HG2  THR  55          1HG2      THR  55  19.042   7.527   2.928
  365   2HG2  THR  55          2HG2      THR  55  17.814   8.405   1.984
  366   3HG2  THR  55          3HG2      THR  55  17.770   8.452   3.763
  367    H    GLY  56           H        GLY  56  14.991   9.359   2.001
  368   1HA   GLY  56          1HA       GLY  56  15.410  10.691   0.143
  369   2HA   GLY  56          2HA       GLY  56  15.763   9.271  -0.821
  370    H    TYR  57           H        TYR  57  13.039   8.503   1.008
  371    HA   TYR  57           HA       TYR  57  11.219   9.586  -1.030
  372   1HB   TYR  57          1HB       TYR  57  11.609   6.796   0.189
  373   2HB   TYR  57          2HB       TYR  57  10.074   7.233  -0.534
  374    HD1  TYR  57           1HD      TYR  57   9.730   6.925  -2.832
  375    HD2  TYR  57           2HD      TYR  57  13.730   7.056  -1.317
  376    HE1  TYR  57           1HE      TYR  57  10.625   6.260  -5.117
  377    HE2  TYR  57           2HE      TYR  57  14.611   6.391  -3.608
  378    HH   TYR  57           HH       TYR  57  13.755   6.644  -6.007
  379    H    ARG  58           H        ARG  58   9.135  10.161  -0.309
  380    HA   ARG  58           HA       ARG  58   8.608   9.692   2.491
  381   1HB   ARG  58          1HB       ARG  58   7.899  12.127   2.749
  382   2HB   ARG  58          2HB       ARG  58   9.626  11.896   2.560
  383   1HG   ARG  58          1HG       ARG  58   9.455  12.436   0.137
  384   2HG   ARG  58          2HG       ARG  58   7.717  12.609   0.283
  385   1HD   ARG  58          1HD       ARG  58   9.742  14.300   1.831
  386   2HD   ARG  58          2HD       ARG  58   8.969  14.811   0.343
  387    HE   ARG  58           HE       ARG  58   6.796  14.166   1.866
  388   1HH1  ARG  58          1HH1      ARG  58   9.661  16.116   2.607
  389   2HH1  ARG  58          2HH1      ARG  58   8.830  17.131   3.739
  390   1HH2  ARG  58          1HH2      ARG  58   6.502  16.753   4.165
  391    H    GLN  59           H        GLN  59   6.450   9.141   2.794
  392    HA   GLN  59           HA       GLN  59   4.803   8.465   0.863
  393   1HB   GLN  59          1HB       GLN  59   2.917   8.776   2.467
  394   2HB   GLN  59          2HB       GLN  59   4.317   8.036   3.218
  395   1HG   GLN  59          1HG       GLN  59   5.011  10.235   4.148
  396   2HG   GLN  59          2HG       GLN  59   3.662  11.018   3.350
  397   1HE2  GLN  59          1HE2      GLN  59   1.481   9.940   3.788
  398   2HE2  GLN  59          2HE2      GLN  59   1.124   9.544   5.436
  399    H    CYS  60           H        CYS  60   3.437   9.377  -0.662
  400    HA   CYS  60           HA       CYS  60   3.698  12.194  -1.053
  401   1HB   CYS  60          1HB       CYS  60   3.217   9.971  -2.680
  402   2HB   CYS  60          2HB       CYS  60   1.725  10.888  -2.737
  Start of MODEL   11
    1   1H    ASP   1          1H        ASP   1 -24.872  -6.519  -0.728
    2    HA   ASP   1           HA       ASP   1 -22.971  -8.004  -0.122
    3   1HB   ASP   1          1HB       ASP   1 -24.836  -8.165  -2.375
    4   2HB   ASP   1          2HB       ASP   1 -23.371  -9.057  -2.735
    5    H    ARG   2           H        ARG   2 -22.933  -6.351  -3.366
    6    HA   ARG   2           HA       ARG   2 -20.715  -7.240  -4.453
    7   1HB   ARG   2          1HB       ARG   2 -20.360  -4.576  -4.994
    8   2HB   ARG   2          2HB       ARG   2 -21.576  -5.564  -5.780
    9   1HG   ARG   2          1HG       ARG   2 -23.328  -4.650  -4.550
   10   2HG   ARG   2          2HG       ARG   2 -22.337  -4.370  -3.132
   11   1HD   ARG   2          1HD       ARG   2 -21.196  -2.698  -5.103
   12   2HD   ARG   2          2HD       ARG   2 -22.921  -2.560  -5.378
   13    HE   ARG   2           HE       ARG   2 -22.370  -2.381  -2.554
   14   1HH1  ARG   2          1HH1      ARG   2 -22.099  -0.497  -5.542
   15   2HH1  ARG   2          2HH1      ARG   2 -22.185   1.032  -4.732
   16   1HH2  ARG   2          1HH2      ARG   2 -22.412   1.086  -2.347
   17    H    CYS   3           H        CYS   3 -18.421  -6.313  -4.584
   18    HA   CYS   3           HA       CYS   3 -17.590  -5.146  -2.041
   19   1HB   CYS   3          1HB       CYS   3 -16.033  -6.727  -1.552
   20   2HB   CYS   3          2HB       CYS   3 -17.281  -7.732  -2.261
   21    H    ARG   4           H        ARG   4 -15.308  -4.182  -2.277
   22    HA   ARG   4           HA       ARG   4 -15.023  -3.252  -5.019
   23   1HB   ARG   4          1HB       ARG   4 -14.674  -1.929  -2.333
   24   2HB   ARG   4          2HB       ARG   4 -13.600  -1.408  -3.616
   25   1HG   ARG   4          1HG       ARG   4 -15.637  -1.023  -5.086
   26   2HG   ARG   4          2HG       ARG   4 -16.654  -1.408  -3.711
   27   1HD   ARG   4          1HD       ARG   4 -14.735   0.533  -2.807
   28   2HD   ARG   4          2HD       ARG   4 -15.350   1.106  -4.345
   29    HE   ARG   4           HE       ARG   4 -17.515   0.156  -2.670
   30   1HH1  ARG   4          1HH1      ARG   4 -15.334   2.911  -3.128
   31   2HH1  ARG   4          2HH1      ARG   4 -16.421   4.050  -2.407
   32   1HH2  ARG   4          1HH2      ARG   4 -18.541   3.291  -1.586
   33    H    TYR   5           H        TYR   5 -13.514  -4.745  -5.853
   34    HA   TYR   5           HA       TYR   5 -11.499  -6.006  -4.539
   35   1HB   TYR   5          1HB       TYR   5 -11.887  -4.826  -7.340
   36   2HB   TYR   5          2HB       TYR   5 -10.414  -5.703  -6.979
   37    HD1  TYR   5           1HD      TYR   5 -14.001  -5.976  -7.620
   38    HD2  TYR   5           2HD      TYR   5 -10.486  -8.133  -6.485
   39    HE1  TYR   5           1HE      TYR   5 -15.174  -8.172  -8.136
   40    HE2  TYR   5           2HE      TYR   5 -11.670 -10.322  -7.004
   41    HH   TYR   5           HH       TYR   5 -14.292 -10.558  -8.844
   42    H    THR   6           H        THR   6 -10.041  -5.093  -3.154
   43    HA   THR   6           HA       THR   6  -8.714  -2.630  -4.072
   44    HB   THR   6           HB       THR   6  -8.752  -3.676  -1.218
   45    HG1  THR   6           1HG      THR   6 -10.953  -3.570  -2.314
   46   1HG2  THR   6          1HG2      THR   6  -7.465  -1.676  -1.348
   47   2HG2  THR   6          2HG2      THR   6  -8.499  -0.992  -2.626
   48   3HG2  THR   6          3HG2      THR   6  -9.089  -1.067  -0.949
   49    H    LEU   7           H        LEU   7  -6.392  -2.405  -3.327
   50    HA   LEU   7           HA       LEU   7  -5.073  -4.929  -3.959
   51   1HB   LEU   7          1HB       LEU   7  -4.367  -2.035  -4.218
   52   2HB   LEU   7          2HB       LEU   7  -3.081  -3.219  -4.097
   53    HG   LEU   7           HG       LEU   7  -5.037  -4.066  -6.059
   54   1HD1  LEU   7          1HD1      LEU   7  -4.285  -2.176  -7.701
   55   2HD1  LEU   7          2HD1      LEU   7  -5.671  -1.922  -6.615
   56   3HD1  LEU   7          3HD1      LEU   7  -4.084  -1.226  -6.209
   57   1HD2  LEU   7          1HD2      LEU   7  -2.364  -4.391  -5.603
   58   2HD2  LEU   7          2HD2      LEU   7  -3.205  -4.805  -7.117
   59   3HD2  LEU   7          3HD2      LEU   7  -2.361  -3.245  -6.966
   60    H    CYS   8           H        CYS   8  -4.624  -6.166  -2.210
   61    HA   CYS   8           HA       CYS   8  -3.771  -4.745   0.202
   62   1HB   CYS   8          1HB       CYS   8  -4.719  -7.605   0.073
   63   2HB   CYS   8          2HB       CYS   8  -4.510  -6.595   1.490
   64    H    CYS   9           H        CYS   9  -1.935  -5.767   1.410
   65    HA   CYS   9           HA       CYS   9  -0.061  -6.930  -0.491
   66   1HB   CYS   9          1HB       CYS   9   0.191  -5.286   1.978
   67   2HB   CYS   9          2HB       CYS   9   1.467  -6.442   1.653
   68    H    ASP  10           H        ASP  10   1.348  -8.755   0.351
   69    HA   ASP  10           HA       ASP  10  -0.340 -10.590   1.770
   70   1HB   ASP  10          1HB       ASP  10   1.065 -12.286   0.922
   71   2HB   ASP  10          2HB       ASP  10   1.100 -11.080  -0.348
   72    H    GLY  11           H        GLY  11   1.312  -8.140   2.913
   73   1HA   GLY  11          1HA       GLY  11   2.084  -7.777   5.033
   74   2HA   GLY  11          2HA       GLY  11   2.194  -9.504   5.309
   75    H    ALA  12           H        ALA  12   3.654  -9.516   2.458
   76    HA   ALA  12           HA       ALA  12   6.268  -8.748   3.571
   77   1HB   ALA  12          1HB       ALA  12   7.221 -10.641   2.457
   78   2HB   ALA  12          2HB       ALA  12   5.770 -11.236   3.300
   79   3HB   ALA  12          3HB       ALA  12   5.723 -10.945   1.545
   80    H    LEU  13           H        LEU  13   6.942  -9.741   0.554
   81    HA   LEU  13           HA       LEU  13   6.837  -7.024  -0.456
   82   1HB   LEU  13          1HB       LEU  13   8.770  -7.520  -1.384
   83   2HB   LEU  13          2HB       LEU  13   8.725  -9.042  -0.520
   84    HG   LEU  13           HG       LEU  13   9.245  -9.442  -2.836
   85   1HD1  LEU  13          1HD1      LEU  13   6.496 -10.434  -3.001
   86   2HD1  LEU  13          2HD1      LEU  13   8.039 -11.318  -2.924
   87   3HD1  LEU  13          3HD1      LEU  13   7.267 -10.743  -1.427
   88   1HD2  LEU  13          1HD2      LEU  13   6.733  -8.731  -4.086
   89   2HD2  LEU  13          2HD2      LEU  13   7.511  -7.308  -3.354
   90   3HD2  LEU  13          3HD2      LEU  13   8.397  -8.298  -4.540
   91    H    LYS  14           H        LYS  14   5.243 -10.138  -0.798
   92    HA   LYS  14           HA       LYS  14   4.269  -9.791  -3.404
   93   1HB   LYS  14          1HB       LYS  14   4.085 -11.705  -1.301
   94   2HB   LYS  14          2HB       LYS  14   2.449 -11.313  -1.790
   95   1HG   LYS  14          1HG       LYS  14   2.876 -11.903  -4.088
   96   2HG   LYS  14          2HG       LYS  14   4.612 -11.913  -3.847
   97   1HD   LYS  14          1HD       LYS  14   3.109 -13.774  -2.066
   98   2HD   LYS  14          2HD       LYS  14   3.004 -14.161  -3.773
   99   1HE   LYS  14          1HE       LYS  14   5.745 -13.488  -3.262
  100   2HE   LYS  14          2HE       LYS  14   5.243 -14.545  -1.958
  101   1HZ   LYS  14          1HZ       LYS  14   4.261 -15.529  -4.435
  102   2HZ   LYS  14          2HZ       LYS  14   5.872 -15.313  -4.542
  103    H    ALA  15           H        ALA  15   2.050  -9.257  -4.078
  104    HA   ALA  15           HA       ALA  15   0.303  -7.954  -2.275
  105   1HB   ALA  15          1HB       ALA  15   1.253  -5.911  -2.265
  106   2HB   ALA  15          2HB       ALA  15   2.413  -6.366  -3.537
  107   3HB   ALA  15          3HB       ALA  15   0.788  -5.788  -3.979
  108    H    VAL  16           H        VAL  16  -1.737  -8.074  -3.134
  109    HA   VAL  16           HA       VAL  16  -2.035  -8.074  -6.013
  110    HB   VAL  16           HB       VAL  16  -1.549 -10.453  -5.093
  111   1HG1  VAL  16          1HG1      VAL  16  -3.049 -11.502  -3.783
  112   2HG1  VAL  16          2HG1      VAL  16  -3.624  -9.863  -3.390
  113   3HG1  VAL  16          3HG1      VAL  16  -4.439 -10.814  -4.655
  114   1HG2  VAL  16          1HG2      VAL  16  -2.427 -11.200  -7.030
  115   2HG2  VAL  16          2HG2      VAL  16  -4.057 -10.607  -6.637
  116   3HG2  VAL  16          3HG2      VAL  16  -2.844  -9.493  -7.311
  117    H    SER  17           H        SER  17  -4.680  -8.710  -6.254
  118    HA   SER  17           HA       SER  17  -5.861  -6.659  -4.572
  119   1HB   SER  17          1HB       SER  17  -7.202  -7.864  -7.004
  120   2HB   SER  17          2HB       SER  17  -7.431  -6.274  -6.305
  121    HG   SER  17           HG       SER  17  -4.939  -6.129  -6.922
  122    H    ALA  18           H        ALA  18  -7.599  -7.119  -3.192
  123    HA   ALA  18           HA       ALA  18  -8.559  -9.898  -3.252
  124   1HB   ALA  18          1HB       ALA  18  -7.732  -8.131  -0.929
  125   2HB   ALA  18          2HB       ALA  18  -8.787  -9.548  -0.713
  126   3HB   ALA  18          3HB       ALA  18  -7.139  -9.755  -1.352
  127    H    CYS  19           H        CYS  19 -10.783 -10.156  -2.340
  128    HA   CYS  19           HA       CYS  19 -12.376  -7.878  -3.168
  129   1HB   CYS  19          1HB       CYS  19 -12.990  -9.945  -4.183
  130   2HB   CYS  19          2HB       CYS  19 -13.039 -10.775  -2.641
  131    H    LEU  20           H        LEU  20 -11.994  -6.493  -1.311
  132    HA   LEU  20           HA       LEU  20 -13.173  -7.542   1.168
  133   1HB   LEU  20          1HB       LEU  20 -11.238  -7.060   2.105
  134   2HB   LEU  20          2HB       LEU  20 -10.639  -6.296   0.646
  135    HG   LEU  20           HG       LEU  20 -12.469  -4.823   2.538
  136   1HD1  LEU  20          1HD1      LEU  20 -10.085  -3.831   3.253
  137   2HD1  LEU  20          2HD1      LEU  20 -10.873  -5.179   4.106
  138   3HD1  LEU  20          3HD1      LEU  20  -9.601  -5.509   2.905
  139   1HD2  LEU  20          1HD2      LEU  20 -12.313  -3.287   0.938
  140   2HD2  LEU  20          2HD2      LEU  20 -10.606  -3.089   1.398
  141   3HD2  LEU  20          3HD2      LEU  20 -11.049  -4.203   0.083
  142    H    HIS  21           H        HIS  21 -14.377  -5.935   2.476
  143    HA   HIS  21           HA       HIS  21 -15.710  -4.059   0.676
  144   1HB   HIS  21          1HB       HIS  21 -16.685  -5.181   3.316
  145   2HB   HIS  21          2HB       HIS  21 -17.600  -4.181   2.204
  146    HD1  HIS  21           1HD      HIS  21 -16.579  -7.697   2.855
  147    HD2  HIS  21           2HD      HIS  21 -18.369  -5.513  -0.247
  148    HE1  HIS  21           1HE      HIS  21 -17.609  -9.414   1.273
  149    H    GLU  22           H        GLU  22 -16.762  -2.155   2.196
  150    HA   GLU  22           HA       GLU  22 -14.505  -0.683   2.974
  151   1HB   GLU  22          1HB       GLU  22 -17.154  -0.127   2.246
  152   2HB   GLU  22          2HB       GLU  22 -17.091   0.361   3.928
  153   1HG   GLU  22          1HG       GLU  22 -16.055   2.271   3.289
  154   2HG   GLU  22          2HG       GLU  22 -14.666   1.318   2.805
  155    H    SER  23           H        SER  23 -16.804  -2.776   4.648
  156    HA   SER  23           HA       SER  23 -16.219  -1.703   7.211
  157   1HB   SER  23          1HB       SER  23 -18.094  -3.572   6.057
  158   2HB   SER  23          2HB       SER  23 -17.295  -4.362   7.401
  159    HG   SER  23           HG       SER  23 -18.355  -3.115   8.784
  160    H    GLU  24           H        GLU  24 -14.302  -3.302   5.073
  161    HA   GLU  24           HA       GLU  24 -12.940  -4.717   7.228
  162   1HB   GLU  24          1HB       GLU  24 -14.100  -6.154   5.376
  163   2HB   GLU  24          2HB       GLU  24 -12.802  -5.611   4.331
  164   1HG   GLU  24          1HG       GLU  24 -12.248  -7.786   5.400
  165   2HG   GLU  24          2HG       GLU  24 -11.110  -6.539   5.870
  166    H    SER  25           H        SER  25 -10.542  -4.839   6.966
  167    HA   SER  25           HA       SER  25  -9.488  -2.968   5.037
  168   1HB   SER  25          1HB       SER  25  -9.874  -2.271   7.781
  169   2HB   SER  25          2HB       SER  25  -8.152  -2.523   7.579
  170    HG   SER  25           HG       SER  25  -9.572  -0.969   5.631
  171    H    CYS  26           H        CYS  26  -7.660  -3.846   4.117
  172    HA   CYS  26           HA       CYS  26  -6.417  -6.047   5.592
  173   1HB   CYS  26          1HB       CYS  26  -5.490  -6.546   3.205
  174   2HB   CYS  26          2HB       CYS  26  -7.102  -7.050   3.668
  175    H    LEU  27           H        LEU  27  -3.940  -6.244   4.616
  176    HA   LEU  27           HA       LEU  27  -2.676  -3.867   5.536
  177   1HB   LEU  27          1HB       LEU  27  -2.029  -6.453   5.612
  178   2HB   LEU  27          2HB       LEU  27  -1.165  -6.022   4.149
  179    HG   LEU  27           HG       LEU  27   0.060  -4.268   5.385
  180   1HD1  LEU  27          1HD1      LEU  27  -0.428  -5.094   8.076
  181   2HD1  LEU  27          2HD1      LEU  27  -0.642  -3.488   7.336
  182   3HD1  LEU  27          3HD1      LEU  27  -1.981  -4.661   7.322
  183   1HD2  LEU  27          1HD2      LEU  27   0.289  -7.128   5.748
  184   2HD2  LEU  27          2HD2      LEU  27   1.559  -5.899   5.538
  185   3HD2  LEU  27          3HD2      LEU  27   0.924  -6.253   7.163
  186    H    VAL  28           H        VAL  28  -3.567  -2.284   4.032
  187    HA   VAL  28           HA       VAL  28  -3.113  -2.528   1.257
  188    HB   VAL  28           HB       VAL  28  -3.763  -0.210   3.078
  189   1HG1  VAL  28          1HG1      VAL  28  -3.985   1.239   1.281
  190   2HG1  VAL  28          2HG1      VAL  28  -2.527   0.321   0.833
  191   3HG1  VAL  28          3HG1      VAL  28  -4.094  -0.080   0.092
  192   1HG2  VAL  28          1HG2      VAL  28  -5.958  -0.649   2.693
  193   2HG2  VAL  28          2HG2      VAL  28  -5.669  -1.212   1.029
  194   3HG2  VAL  28          3HG2      VAL  28  -5.344  -2.293   2.405
  195    HA   PRO  29           HA       PRO  29   1.038  -1.323   1.088
  196   1HB   PRO  29          1HB       PRO  29   1.240  -0.637  -1.549
  197   2HB   PRO  29          2HB       PRO  29   1.303  -2.294  -0.982
  198   1HG   PRO  29          1HG       PRO  29  -0.908  -0.884  -2.346
  199   2HG   PRO  29          2HG       PRO  29  -0.657  -2.608  -2.157
  200   1HD   PRO  29          1HD       PRO  29  -2.501  -0.973  -0.690
  201   2HD   PRO  29          2HD       PRO  29  -2.165  -2.673  -0.423
  202    H    GLY  30           H        GLY  30   2.397   0.570  -0.298
  203   1HA   GLY  30          1HA       GLY  30   0.996   3.084   0.221
  204   2HA   GLY  30          2HA       GLY  30   2.441   2.758   1.158
  205    H    ASP  31           H        ASP  31   1.997   4.897  -0.849
  206    HA   ASP  31           HA       ASP  31   3.806   4.007  -2.941
  207   1HB   ASP  31          1HB       ASP  31   1.931   6.398  -2.691
  208   2HB   ASP  31          2HB       ASP  31   3.115   6.277  -3.978
  209    H    CYS  32           H        CYS  32   5.941   4.746  -2.843
  210    HA   CYS  32           HA       CYS  32   6.498   6.836  -0.888
  211   1HB   CYS  32          1HB       CYS  32   8.004   4.496  -1.931
  212   2HB   CYS  32          2HB       CYS  32   8.938   5.926  -1.542
  213    H    CYS  33           H        CYS  33   6.750   8.877  -1.726
  214    HA   CYS  33           HA       CYS  33   7.342   9.102  -4.556
  215   1HB   CYS  33          1HB       CYS  33   6.039  10.801  -2.517
  216   2HB   CYS  33          2HB       CYS  33   7.001  11.656  -3.705
  217    H    ARG  34           H        ARG  34   9.410   9.562  -5.247
  218    HA   ARG  34           HA       ARG  34  11.200  10.647  -3.223
  219   1HB   ARG  34          1HB       ARG  34  11.762   8.291  -3.821
  220   2HB   ARG  34          2HB       ARG  34  11.850   8.728  -5.517
  221   1HG   ARG  34          1HG       ARG  34  13.788  10.137  -5.155
  222   2HG   ARG  34          2HG       ARG  34  13.590  10.084  -3.414
  223   1HD   ARG  34          1HD       ARG  34  13.827   7.387  -4.615
  224   2HD   ARG  34          2HD       ARG  34  15.232   8.390  -4.924
  225    HE   ARG  34           HE       ARG  34  14.259   8.384  -2.129
  226   1HH1  ARG  34          1HH1      ARG  34  16.554   7.044  -4.473
  227   2HH1  ARG  34          2HH1      ARG  34  17.647   6.469  -3.260
  228   1HH2  ARG  34          1HH2      ARG  34  17.128   6.821  -0.947
  229    H    GLY  35           H        GLY  35  10.879  12.852  -3.884
  230   1HA   GLY  35          1HA       GLY  35  11.347  14.704  -5.069
  231   2HA   GLY  35          2HA       GLY  35  12.498  13.763  -5.998
  232    H    LYS  36           H        LYS  36  11.745  12.541  -7.903
  233    HA   LYS  36           HA       LYS  36   9.108  13.393  -8.848
  234   1HB   LYS  36          1HB       LYS  36   9.964  14.027 -10.989
  235   2HB   LYS  36          2HB       LYS  36  10.859  14.911  -9.769
  236   1HG   LYS  36          1HG       LYS  36  12.749  13.343  -9.938
  237   2HG   LYS  36          2HG       LYS  36  11.844  12.306 -11.022
  238   1HD   LYS  36          1HD       LYS  36  12.614  13.504 -12.782
  239   2HD   LYS  36          2HD       LYS  36  11.744  14.905 -12.189
  240   1HE   LYS  36          1HE       LYS  36  13.642  15.894 -11.355
  241   2HE   LYS  36          2HE       LYS  36  14.271  14.387 -10.720
  242   1HZ   LYS  36          1HZ       LYS  36  15.638  14.353 -12.485
  243   2HZ   LYS  36          2HZ       LYS  36  14.371  14.161 -13.488
  244    H    SER  37           H        SER  37  10.213  10.905  -7.581
  245    HA   SER  37           HA       SER  37   9.485   9.161  -9.786
  246   1HB   SER  37          1HB       SER  37  11.985   9.075  -8.125
  247   2HB   SER  37          2HB       SER  37  11.234   7.537  -8.501
  248    HG   SER  37           HG       SER  37  12.824   9.000 -10.084
  249    H    ARG  38           H        ARG  38   7.507   8.408  -9.078
  250    HA   ARG  38           HA       ARG  38   7.165   7.985  -6.260
  251   1HB   ARG  38          1HB       ARG  38   4.774   7.572  -6.872
  252   2HB   ARG  38          2HB       ARG  38   5.352   9.096  -7.516
  253   1HG   ARG  38          1HG       ARG  38   4.601   8.375  -9.538
  254   2HG   ARG  38          2HG       ARG  38   5.993   7.309  -9.562
  255   1HD   ARG  38          1HD       ARG  38   3.759   6.146  -9.957
  256   2HD   ARG  38          2HD       ARG  38   4.721   5.457  -8.664
  257    HE   ARG  38           HE       ARG  38   3.097   6.135  -7.117
  258   1HH1  ARG  38          1HH1      ARG  38   2.591   7.892 -10.153
  259   2HH1  ARG  38          2HH1      ARG  38   1.090   8.591  -9.642
  260   1HH2  ARG  38          1HH2      ARG  38   0.243   8.086  -7.458
  261    H    LEU  39           H        LEU  39   6.465   5.903  -5.354
  262    HA   LEU  39           HA       LEU  39   6.729   3.617  -7.142
  263   1HB   LEU  39          1HB       LEU  39   8.424   4.135  -4.706
  264   2HB   LEU  39          2HB       LEU  39   8.148   2.519  -5.327
  265    HG   LEU  39           HG       LEU  39   9.063   4.442  -7.365
  266   1HD1  LEU  39          1HD1      LEU  39  10.496   4.206  -4.807
  267   2HD1  LEU  39          2HD1      LEU  39  11.493   3.885  -6.247
  268   3HD1  LEU  39          3HD1      LEU  39  10.621   5.429  -6.095
  269   1HD2  LEU  39          1HD2      LEU  39  10.790   2.377  -7.453
  270   2HD2  LEU  39          2HD2      LEU  39   9.422   1.592  -6.629
  271   3HD2  LEU  39          3HD2      LEU  39   9.183   2.354  -8.220
  272    H    THR  40           H        THR  40   5.927   1.574  -6.042
  273    HA   THR  40           HA       THR  40   4.129   2.127  -3.809
  274    HB   THR  40           HB       THR  40   3.341   1.190  -6.605
  275    HG1  THR  40           1HG      THR  40   2.040   3.062  -6.341
  276   1HG2  THR  40          1HG2      THR  40   1.115   0.682  -5.710
  277   2HG2  THR  40          2HG2      THR  40   2.295  -0.318  -4.831
  278   3HG2  THR  40          3HG2      THR  40   1.626   1.145  -4.069
  279    H    LEU  41           H        LEU  41   4.886   0.787  -2.287
  280    HA   LEU  41           HA       LEU  41   4.897  -2.026  -2.918
  281   1HB   LEU  41          1HB       LEU  41   7.079  -2.476  -2.784
  282   2HB   LEU  41          2HB       LEU  41   7.238  -0.828  -3.356
  283    HG   LEU  41           HG       LEU  41   7.141  -0.527  -0.596
  284   1HD1  LEU  41          1HD1      LEU  41   8.766  -2.995  -1.268
  285   2HD1  LEU  41          2HD1      LEU  41   8.855  -2.091   0.263
  286   3HD1  LEU  41          3HD1      LEU  41   7.342  -2.902  -0.204
  287   1HD2  LEU  41          1HD2      LEU  41   9.730  -0.304  -0.949
  288   2HD2  LEU  41          2HD2      LEU  41   9.308  -0.498  -2.668
  289   3HD2  LEU  41          3HD2      LEU  41   8.607   0.839  -1.725
  290    H    CYS  42           H        CYS  42   5.518  -3.262  -0.748
  291    HA   CYS  42           HA       CYS  42   3.834  -2.031   1.248
  292   1HB   CYS  42          1HB       CYS  42   5.114  -4.720   1.571
  293   2HB   CYS  42          2HB       CYS  42   3.583  -4.132   2.188
  294    H    SER  43           H        SER  43   4.772  -0.730   2.784
  295    HA   SER  43           HA       SER  43   7.108  -1.648   4.107
  296   1HB   SER  43          1HB       SER  43   8.021  -0.481   2.040
  297   2HB   SER  43          2HB       SER  43   7.292   1.005   2.613
  298    HG   SER  43           HG       SER  43   9.067  -0.500   4.309
  299    H    TYR  44           H        TYR  44   5.929  -1.522   6.048
  300    HA   TYR  44           HA       TYR  44   4.715   1.074   6.669
  301   1HB   TYR  44          1HB       TYR  44   4.569  -1.597   8.175
  302   2HB   TYR  44          2HB       TYR  44   3.413  -0.283   8.256
  303    HD1  TYR  44           1HD      TYR  44   1.590  -0.138   6.717
  304    HD2  TYR  44           2HD      TYR  44   4.697  -3.012   6.086
  305    HE1  TYR  44           1HE      TYR  44   0.188  -1.272   4.925
  306    HE2  TYR  44           2HE      TYR  44   3.284  -4.136   4.297
  307    HH   TYR  44           HH       TYR  44  -0.003  -2.994   3.614
  308    H    GLY  45           H        GLY  45   4.840   1.661   9.101
  309   1HA   GLY  45          1HA       GLY  45   7.650   1.688   9.818
  310   2HA   GLY  45          2HA       GLY  45   6.342   2.589  10.560
  311    H    GLU  46           H        GLU  46   5.610  -0.774  10.059
  312    HA   GLU  46           HA       GLU  46   5.192  -2.388  11.457
  313   1HB   GLU  46          1HB       GLU  46   7.408  -2.186  13.310
  314   2HB   GLU  46          2HB       GLU  46   7.151  -3.354  12.030
  315   1HG   GLU  46          1HG       GLU  46   7.972  -1.500  10.397
  316   2HG   GLU  46          2HG       GLU  46   8.520  -0.643  11.824
  317    H    GLY  47           H        GLY  47   3.441  -2.167  12.784
  318   1HA   GLY  47          1HA       GLY  47   2.105  -1.173  14.356
  319   2HA   GLY  47          2HA       GLY  47   3.348  -1.844  15.394
  320    H    GLY  48           H        GLY  48   3.505   0.939  13.072
  321   1HA   GLY  48          1HA       GLY  48   4.527   2.598  15.275
  322   2HA   GLY  48          2HA       GLY  48   4.754   2.873  13.560
  323    H    ASN  49           H        ASN  49   3.402   4.292  12.510
  324    HA   ASN  49           HA       ASN  49   0.767   4.683  13.584
  325   1HB   ASN  49          1HB       ASN  49   2.443   6.354  14.698
  326   2HB   ASN  49          2HB       ASN  49   2.569   7.105  13.120
  327   1HD2  ASN  49          1HD2      ASN  49   1.053   7.235  16.007
  328   2HD2  ASN  49          2HD2      ASN  49  -0.415   8.056  15.594
  329    H    GLY  50           H        GLY  50   0.540   3.551  11.380
  330   1HA   GLY  50          1HA       GLY  50  -0.402   3.945   9.309
  331   2HA   GLY  50          2HA       GLY  50   0.280   5.560   9.281
  332    H    PHE  51           H        PHE  51   1.863   5.848   7.781
  333    HA   PHE  51           HA       PHE  51   3.470   3.489   7.101
  334   1HB   PHE  51          1HB       PHE  51   1.841   5.078   5.524
  335   2HB   PHE  51          2HB       PHE  51   3.338   5.980   5.394
  336    HD1  PHE  51           1HD      PHE  51   1.951   2.553   4.962
  337    HD2  PHE  51           2HD      PHE  51   4.950   5.339   3.838
  338    HE1  PHE  51           1HE      PHE  51   2.743   0.980   3.174
  339    HE2  PHE  51           2HE      PHE  51   5.742   3.765   2.051
  340    HZ   PHE  51           HZ       PHE  51   4.628   1.604   1.740
  341    H    GLN  52           H        GLN  52   5.755   3.985   6.381
  342    HA   GLN  52           HA       GLN  52   6.788   6.470   7.374
  343   1HB   GLN  52          1HB       GLN  52   6.696   4.711   9.306
  344   2HB   GLN  52          2HB       GLN  52   8.008   3.913   8.463
  345   1HG   GLN  52          1HG       GLN  52   8.371   6.852   8.801
  346   2HG   GLN  52          2HG       GLN  52   8.332   5.950  10.304
  347   1HE2  GLN  52          1HE2      GLN  52  10.521   7.351   8.968
  348   2HE2  GLN  52          2HE2      GLN  52  11.801   6.208   8.735
  349    H    CYS  53           H        CYS  53   7.078   6.577   4.976
  350    HA   CYS  53           HA       CYS  53   8.443   4.816   3.450
  351   1HB   CYS  53          1HB       CYS  53   8.019   7.740   3.396
  352   2HB   CYS  53          2HB       CYS  53   9.372   7.164   2.444
  353    HA   PRO  54           HA       PRO  54  12.527   4.880   4.965
  354   1HB   PRO  54          1HB       PRO  54  13.950   4.097   2.767
  355   2HB   PRO  54          2HB       PRO  54  13.081   2.976   3.795
  356   1HG   PRO  54          1HG       PRO  54  12.358   3.963   1.104
  357   2HG   PRO  54          2HG       PRO  54  11.754   2.556   1.956
  358   1HD   PRO  54          1HD       PRO  54  10.403   5.062   1.608
  359   2HD   PRO  54          2HD       PRO  54   9.850   3.697   2.557
  360    H    THR  55           H        THR  55  14.895   5.634   4.450
  361    HA   THR  55           HA       THR  55  14.714   8.427   4.289
  362    HB   THR  55           HB       THR  55  16.498   6.873   5.383
  363    HG1  THR  55           1HG      THR  55  16.833   9.147   5.276
  364   1HG2  THR  55          1HG2      THR  55  18.335   6.156   4.070
  365   2HG2  THR  55          2HG2      THR  55  16.960   5.772   3.006
  366   3HG2  THR  55          3HG2      THR  55  17.918   7.245   2.726
  367    H    GLY  56           H        GLY  56  14.868   9.903   2.679
  368   1HA   GLY  56          1HA       GLY  56  15.358  10.697   0.585
  369   2HA   GLY  56          2HA       GLY  56  15.812   9.088   0.059
  370    H    TYR  57           H        TYR  57  12.936   8.612   1.677
  371    HA   TYR  57           HA       TYR  57  11.351   9.114  -0.752
  372   1HB   TYR  57          1HB       TYR  57  11.597   6.780   1.226
  373   2HB   TYR  57          2HB       TYR  57  10.140   6.961   0.268
  374    HD1  TYR  57           1HD      TYR  57  10.495   7.152  -2.337
  375    HD2  TYR  57           2HD      TYR  57  13.386   5.543   0.375
  376    HE1  TYR  57           1HE      TYR  57  11.607   5.902  -4.253
  377    HE2  TYR  57           2HE      TYR  57  14.488   4.300  -1.548
  378    HH   TYR  57           HH       TYR  57  14.493   3.908  -3.667
  379    H    ARG  58           H        ARG  58   9.063   9.531  -0.409
  380    HA   ARG  58           HA       ARG  58   8.279   9.953   2.316
  381   1HB   ARG  58          1HB       ARG  58   7.771  12.292   2.105
  382   2HB   ARG  58          2HB       ARG  58   9.389  12.118   1.455
  383   1HG   ARG  58          1HG       ARG  58   8.084  11.747  -0.851
  384   2HG   ARG  58          2HG       ARG  58   6.790  12.586  -0.021
  385   1HD   ARG  58          1HD       ARG  58   9.396  13.922   0.359
  386   2HD   ARG  58          2HD       ARG  58   8.966  13.787  -1.335
  387    HE   ARG  58           HE       ARG  58   6.669  14.669   0.151
  388   1HH1  ARG  58          1HH1      ARG  58   9.807  15.852  -0.994
  389   2HH1  ARG  58          2HH1      ARG  58   9.300  17.507  -1.055
  390   1HH2  ARG  58          1HH2      ARG  58   7.058  18.072  -0.425
  391    H    GLN  59           H        GLN  59   6.141   9.318   2.527
  392    HA   GLN  59           HA       GLN  59   4.736   8.057   0.721
  393   1HB   GLN  59          1HB       GLN  59   2.671   8.696   1.963
  394   2HB   GLN  59          2HB       GLN  59   3.994   8.294   3.037
  395   1HG   GLN  59          1HG       GLN  59   4.529  10.810   3.137
  396   2HG   GLN  59          2HG       GLN  59   3.018  11.086   2.293
  397   1HE2  GLN  59          1HE2      GLN  59   4.393   9.388   5.094
  398   2HE2  GLN  59          2HE2      GLN  59   3.056   9.615   6.173
  399    H    CYS  60           H        CYS  60   3.222   8.445  -0.967
  400    HA   CYS  60           HA       CYS  60   3.635  10.934  -2.306
  401   1HB   CYS  60          1HB       CYS  60   2.180   8.388  -2.951
  402   2HB   CYS  60          2HB       CYS  60   1.902   9.826  -3.911
  Start of MODEL   12
    1   1H    ASP   1          1H        ASP   1 -24.512  -3.835  -1.424
    2    HA   ASP   1           HA       ASP   1 -24.242  -5.796  -0.345
    3   1HB   ASP   1          1HB       ASP   1 -25.096  -7.338  -2.824
    4   2HB   ASP   1          2HB       ASP   1 -24.984  -7.934  -1.180
    5    H    ARG   2           H        ARG   2 -23.131  -8.193  -1.713
    6    HA   ARG   2           HA       ARG   2 -21.267  -8.920  -2.528
    7   1HB   ARG   2          1HB       ARG   2 -20.957  -6.525  -4.362
    8   2HB   ARG   2          2HB       ARG   2 -20.602  -8.208  -4.697
    9   1HG   ARG   2          1HG       ARG   2 -23.430  -7.159  -4.224
   10   2HG   ARG   2          2HG       ARG   2 -22.712  -7.295  -5.815
   11   1HD   ARG   2          1HD       ARG   2 -22.535  -9.700  -5.649
   12   2HD   ARG   2          2HD       ARG   2 -22.841  -9.680  -3.923
   13    HE   ARG   2           HE       ARG   2 -25.094  -8.479  -5.139
   14   1HH1  ARG   2          1HH1      ARG   2 -23.509 -11.648  -5.143
   15   2HH1  ARG   2          2HH1      ARG   2 -24.972 -12.518  -5.464
   16   1HH2  ARG   2          1HH2      ARG   2 -27.027 -11.309  -5.707
   17    H    CYS   3           H        CYS   3 -18.833  -8.542  -2.666
   18    HA   CYS   3           HA       CYS   3 -18.122  -6.505  -0.726
   19   1HB   CYS   3          1HB       CYS   3 -15.891  -7.715  -0.785
   20   2HB   CYS   3          2HB       CYS   3 -17.257  -8.565  -0.093
   21    H    ARG   4           H        ARG   4 -15.743  -5.552  -1.249
   22    HA   ARG   4           HA       ARG   4 -16.072  -4.308  -3.808
   23   1HB   ARG   4          1HB       ARG   4 -13.852  -3.794  -1.778
   24   2HB   ARG   4          2HB       ARG   4 -14.415  -2.706  -3.031
   25   1HG   ARG   4          1HG       ARG   4 -16.390  -3.666  -0.953
   26   2HG   ARG   4          2HG       ARG   4 -15.234  -2.428  -0.503
   27   1HD   ARG   4          1HD       ARG   4 -17.207  -2.277  -2.834
   28   2HD   ARG   4          2HD       ARG   4 -17.327  -1.393  -1.325
   29    HE   ARG   4           HE       ARG   4 -14.787  -0.766  -2.378
   30   1HH1  ARG   4          1HH1      ARG   4 -18.164  -0.362  -3.373
   31   2HH1  ARG   4          2HH1      ARG   4 -17.850   1.069  -4.298
   32   1HH2  ARG   4          1HH2      ARG   4 -15.614   1.923  -4.415
   33    H    TYR   5           H        TYR   5 -12.975  -3.785  -3.709
   34    HA   TYR   5           HA       TYR   5 -11.653  -6.220  -4.033
   35   1HB   TYR   5          1HB       TYR   5 -13.480  -5.731  -6.074
   36   2HB   TYR   5          2HB       TYR   5 -12.085  -4.882  -6.711
   37    HD1  TYR   5           1HD      TYR   5 -11.100  -6.137  -8.392
   38    HD2  TYR   5           2HD      TYR   5 -12.452  -8.131  -4.857
   39    HE1  TYR   5           1HE      TYR   5 -10.167  -8.335  -9.266
   40    HE2  TYR   5           2HE      TYR   5 -11.515 -10.323  -5.743
   41    HH   TYR   5           HH       TYR   5  -9.363 -10.699  -7.700
   42    H    THR   6           H        THR   6  -9.664  -5.548  -3.412
   43    HA   THR   6           HA       THR   6  -8.497  -3.289  -4.847
   44    HB   THR   6           HB       THR   6  -9.338  -2.133  -2.925
   45    HG1  THR   6           1HG      THR   6  -6.764  -3.267  -2.107
   46   1HG2  THR   6          1HG2      THR   6 -10.075  -3.965  -1.482
   47   2HG2  THR   6          2HG2      THR   6  -8.412  -4.590  -1.350
   48   3HG2  THR   6          3HG2      THR   6  -8.846  -3.044  -0.582
   49    H    LEU   7           H        LEU   7  -6.070  -3.088  -4.144
   50    HA   LEU   7           HA       LEU   7  -5.054  -5.830  -4.221
   51   1HB   LEU   7          1HB       LEU   7  -3.922  -3.193  -5.146
   52   2HB   LEU   7          2HB       LEU   7  -2.963  -4.656  -5.043
   53    HG   LEU   7           HG       LEU   7  -5.513  -4.578  -6.651
   54   1HD1  LEU   7          1HD1      LEU   7  -4.646  -3.307  -8.249
   55   2HD1  LEU   7          2HD1      LEU   7  -3.287  -2.939  -7.160
   56   3HD1  LEU   7          3HD1      LEU   7  -3.166  -4.297  -8.305
   57   1HD2  LEU   7          1HD2      LEU   7  -3.867  -6.261  -7.950
   58   2HD2  LEU   7          2HD2      LEU   7  -3.234  -6.445  -6.297
   59   3HD2  LEU   7          3HD2      LEU   7  -4.953  -6.767  -6.633
   60    H    CYS   8           H        CYS   8  -4.719  -6.558  -2.168
   61    HA   CYS   8           HA       CYS   8  -3.524  -4.671  -0.290
   62   1HB   CYS   8          1HB       CYS   8  -4.604  -7.389   0.416
   63   2HB   CYS   8          2HB       CYS   8  -4.324  -6.013   1.464
   64    H    CYS   9           H        CYS   9  -1.653  -5.447   1.009
   65    HA   CYS   9           HA       CYS   9   0.158  -6.903  -0.642
   66   1HB   CYS   9          1HB       CYS   9   0.459  -5.758   2.141
   67   2HB   CYS   9          2HB       CYS   9   1.754  -6.506   1.229
   68    H    ASP  10           H        ASP  10   1.330  -8.879   0.136
   69    HA   ASP  10           HA       ASP  10  -0.549 -10.602   1.476
   70   1HB   ASP  10          1HB       ASP  10   1.541 -10.886  -0.524
   71   2HB   ASP  10          2HB       ASP  10   1.879 -11.978   0.804
   72    H    GLY  11           H        GLY  11   1.194  -8.418   2.805
   73   1HA   GLY  11          1HA       GLY  11   2.231  -8.180   4.791
   74   2HA   GLY  11          2HA       GLY  11   1.934  -9.875   5.121
   75    H    ALA  12           H        ALA  12   3.454  -9.665   2.093
   76    HA   ALA  12           HA       ALA  12   6.142  -9.624   3.221
   77   1HB   ALA  12          1HB       ALA  12   5.474 -11.973   3.331
   78   2HB   ALA  12          2HB       ALA  12   4.946 -11.929   1.631
   79   3HB   ALA  12          3HB       ALA  12   6.672 -11.752   2.033
   80    H    LEU  13           H        LEU  13   4.911  -7.565   1.794
   81    HA   LEU  13           HA       LEU  13   5.488  -6.201   0.134
   82   1HB   LEU  13          1HB       LEU  13   7.499  -6.425  -0.739
   83   2HB   LEU  13          2HB       LEU  13   7.625  -7.927   0.153
   84    HG   LEU  13           HG       LEU  13   6.747  -9.146  -1.841
   85   1HD1  LEU  13          1HD1      LEU  13   7.311  -7.217  -3.863
   86   2HD1  LEU  13          2HD1      LEU  13   5.788  -8.074  -3.525
   87   3HD1  LEU  13          3HD1      LEU  13   6.127  -6.516  -2.734
   88   1HD2  LEU  13          1HD2      LEU  13   9.326  -7.684  -1.734
   89   2HD2  LEU  13          2HD2      LEU  13   8.990  -9.431  -1.810
   90   3HD2  LEU  13          3HD2      LEU  13   8.899  -8.441  -3.288
   91    H    LYS  14           H        LYS  14   5.044  -9.604  -1.054
   92    HA   LYS  14           HA       LYS  14   3.950  -9.193  -3.450
   93   1HB   LYS  14          1HB       LYS  14   3.518 -11.198  -1.300
   94   2HB   LYS  14          2HB       LYS  14   2.316 -11.164  -2.574
   95   1HG   LYS  14          1HG       LYS  14   4.339 -11.152  -4.229
   96   2HG   LYS  14          2HG       LYS  14   5.313 -11.611  -2.847
   97   1HD   LYS  14          1HD       LYS  14   2.975 -13.145  -4.056
   98   2HD   LYS  14          2HD       LYS  14   4.648 -13.656  -3.959
   99   1HE   LYS  14          1HE       LYS  14   4.362 -13.474  -1.366
  100   2HE   LYS  14          2HE       LYS  14   2.640 -13.399  -1.686
  101   1HZ   LYS  14          1HZ       LYS  14   2.885 -15.655  -1.582
  102   2HZ   LYS  14          2HZ       LYS  14   3.286 -15.520  -3.155
  103    H    ALA  15           H        ALA  15   1.936  -8.649  -4.374
  104    HA   ALA  15           HA       ALA  15  -0.056  -7.604  -2.499
  105   1HB   ALA  15          1HB       ALA  15   0.082  -5.955  -4.863
  106   2HB   ALA  15          2HB       ALA  15   0.286  -5.485  -3.159
  107   3HB   ALA  15          3HB       ALA  15   1.690  -6.032  -4.106
  108    H    VAL  16           H        VAL  16  -1.908  -8.708  -2.871
  109    HA   VAL  16           HA       VAL  16  -2.465  -9.439  -5.662
  110    HB   VAL  16           HB       VAL  16  -3.818 -11.218  -3.960
  111   1HG1  VAL  16          1HG1      VAL  16  -2.455 -12.911  -5.067
  112   2HG1  VAL  16          2HG1      VAL  16  -2.953 -11.662  -6.233
  113   3HG1  VAL  16          3HG1      VAL  16  -1.293 -11.667  -5.589
  114   1HG2  VAL  16          1HG2      VAL  16  -2.330 -10.626  -2.124
  115   2HG2  VAL  16          2HG2      VAL  16  -1.968 -12.271  -2.697
  116   3HG2  VAL  16          3HG2      VAL  16  -0.906 -10.918  -3.151
  117    H    SER  17           H        SER  17  -4.860  -9.705  -6.090
  118    HA   SER  17           HA       SER  17  -6.178  -7.481  -4.851
  119   1HB   SER  17          1HB       SER  17  -7.950  -8.729  -6.670
  120   2HB   SER  17          2HB       SER  17  -6.994  -7.286  -6.946
  121    HG   SER  17           HG       SER  17  -6.607  -9.903  -7.884
  122    H    ALA  18           H        ALA  18  -7.692  -7.660  -3.227
  123    HA   ALA  18           HA       ALA  18  -8.815 -10.342  -2.778
  124   1HB   ALA  18          1HB       ALA  18  -8.686  -9.927  -0.404
  125   2HB   ALA  18          2HB       ALA  18  -7.083  -9.582  -1.097
  126   3HB   ALA  18          3HB       ALA  18  -8.176  -8.242  -0.671
  127    H    CYS  19           H        CYS  19 -10.998 -10.319  -1.748
  128    HA   CYS  19           HA       CYS  19 -12.477  -8.006  -2.741
  129   1HB   CYS  19          1HB       CYS  19 -12.943 -10.409  -3.537
  130   2HB   CYS  19          2HB       CYS  19 -13.671 -10.659  -1.962
  131    H    LEU  20           H        LEU  20 -12.104  -6.620  -0.903
  132    HA   LEU  20           HA       LEU  20 -13.220  -7.649   1.611
  133   1HB   LEU  20          1HB       LEU  20 -10.780  -6.275   0.987
  134   2HB   LEU  20          2HB       LEU  20 -11.754  -5.267   2.040
  135    HG   LEU  20           HG       LEU  20 -11.983  -7.351   3.539
  136   1HD1  LEU  20          1HD1      LEU  20  -9.465  -8.492   2.891
  137   2HD1  LEU  20          2HD1      LEU  20 -11.072  -9.257   2.875
  138   3HD1  LEU  20          3HD1      LEU  20 -10.446  -8.471   1.406
  139   1HD2  LEU  20          1HD2      LEU  20 -10.555  -6.246   4.827
  140   2HD2  LEU  20          2HD2      LEU  20  -9.180  -6.735   3.808
  141   3HD2  LEU  20          3HD2      LEU  20 -10.102  -5.264   3.414
  142    H    HIS  21           H        HIS  21 -14.401  -5.990   2.946
  143    HA   HIS  21           HA       HIS  21 -16.073  -4.446   1.139
  144   1HB   HIS  21          1HB       HIS  21 -16.588  -4.894   4.075
  145   2HB   HIS  21          2HB       HIS  21 -17.734  -4.510   2.807
  146    HD1  HIS  21           1HD      HIS  21 -18.602  -6.837   4.350
  147    HD2  HIS  21           2HD      HIS  21 -15.843  -7.257   1.219
  148    HE1  HIS  21           1HE      HIS  21 -18.704  -9.283   3.632
  149    H    GLU  22           H        GLU  22 -16.936  -2.288   2.224
  150    HA   GLU  22           HA       GLU  22 -14.684  -0.652   2.456
  151   1HB   GLU  22          1HB       GLU  22 -17.477  -0.336   2.030
  152   2HB   GLU  22          2HB       GLU  22 -17.113   0.611   3.460
  153   1HG   GLU  22          1HG       GLU  22 -15.057   1.494   2.049
  154   2HG   GLU  22          2HG       GLU  22 -15.956   0.890   0.671
  155    H    SER  23           H        SER  23 -16.818  -2.270   4.797
  156    HA   SER  23           HA       SER  23 -15.885  -0.705   6.977
  157   1HB   SER  23          1HB       SER  23 -17.970  -2.629   6.482
  158   2HB   SER  23          2HB       SER  23 -17.033  -3.204   7.846
  159    HG   SER  23           HG       SER  23 -18.932  -1.494   8.060
  160    H    GLU  24           H        GLU  24 -14.295  -2.831   5.047
  161    HA   GLU  24           HA       GLU  24 -12.744  -3.847   7.299
  162   1HB   GLU  24          1HB       GLU  24 -14.189  -5.516   5.795
  163   2HB   GLU  24          2HB       GLU  24 -12.841  -5.357   4.688
  164   1HG   GLU  24          1HG       GLU  24 -11.307  -5.898   6.709
  165   2HG   GLU  24          2HG       GLU  24 -12.766  -6.357   7.565
  166    H    SER  25           H        SER  25 -10.425  -3.932   6.982
  167    HA   SER  25           HA       SER  25  -9.517  -2.646   4.545
  168   1HB   SER  25          1HB       SER  25  -9.242  -1.630   7.343
  169   2HB   SER  25          2HB       SER  25  -7.794  -1.539   6.361
  170    HG   SER  25           HG       SER  25 -10.213  -0.112   6.144
  171    H    CYS  26           H        CYS  26  -7.452  -3.377   3.835
  172    HA   CYS  26           HA       CYS  26  -6.327  -5.514   5.497
  173   1HB   CYS  26          1HB       CYS  26  -5.395  -6.207   3.115
  174   2HB   CYS  26          2HB       CYS  26  -6.945  -6.754   3.722
  175    H    LEU  27           H        LEU  27  -3.853  -5.860   4.644
  176    HA   LEU  27           HA       LEU  27  -2.520  -3.477   5.332
  177   1HB   LEU  27          1HB       LEU  27  -1.908  -6.042   5.530
  178   2HB   LEU  27          2HB       LEU  27  -1.132  -5.751   3.985
  179    HG   LEU  27           HG       LEU  27   0.050  -3.776   5.166
  180   1HD1  LEU  27          1HD1      LEU  27  -0.355  -5.330   7.692
  181   2HD1  LEU  27          2HD1      LEU  27   0.108  -3.628   7.454
  182   3HD1  LEU  27          3HD1      LEU  27  -1.580  -4.135   7.199
  183   1HD2  LEU  27          1HD2      LEU  27   1.892  -5.111   5.606
  184   2HD2  LEU  27          2HD2      LEU  27   0.905  -6.459   6.216
  185   3HD2  LEU  27          3HD2      LEU  27   0.950  -6.108   4.472
  186    H    VAL  28           H        VAL  28  -3.144  -1.811   3.900
  187    HA   VAL  28           HA       VAL  28  -2.810  -2.212   1.076
  188    HB   VAL  28           HB       VAL  28  -3.511   0.169   2.797
  189   1HG1  VAL  28          1HG1      VAL  28  -3.844   0.118  -0.196
  190   2HG1  VAL  28          2HG1      VAL  28  -3.804   1.509   0.915
  191   3HG1  VAL  28          3HG1      VAL  28  -2.303   0.630   0.534
  192   1HG2  VAL  28          1HG2      VAL  28  -5.113  -1.842   2.493
  193   2HG2  VAL  28          2HG2      VAL  28  -5.744  -0.203   2.205
  194   3HG2  VAL  28          3HG2      VAL  28  -5.310  -1.243   0.828
  195    HA   PRO  29           HA       PRO  29   1.320  -0.933   0.930
  196   1HB   PRO  29          1HB       PRO  29   1.553  -0.350  -1.731
  197   2HB   PRO  29          2HB       PRO  29   1.640  -1.980  -1.095
  198   1HG   PRO  29          1HG       PRO  29  -0.577  -0.675  -2.550
  199   2HG   PRO  29          2HG       PRO  29  -0.293  -2.383  -2.288
  200   1HD   PRO  29          1HD       PRO  29  -2.195  -0.731  -0.918
  201   2HD   PRO  29          2HD       PRO  29  -1.828  -2.410  -0.577
  202    H    GLY  30           H        GLY  30   2.683   0.927  -0.468
  203   1HA   GLY  30          1HA       GLY  30   1.216   3.432  -0.109
  204   2HA   GLY  30          2HA       GLY  30   2.630   3.175   0.892
  205    H    ASP  31           H        ASP  31   2.225   5.218  -1.217
  206    HA   ASP  31           HA       ASP  31   4.176   4.284  -3.163
  207   1HB   ASP  31          1HB       ASP  31   2.490   6.816  -3.326
  208   2HB   ASP  31          2HB       ASP  31   3.366   6.040  -4.631
  209    H    CYS  32           H        CYS  32   6.249   4.910  -2.516
  210    HA   CYS  32           HA       CYS  32   6.532   7.275  -0.885
  211   1HB   CYS  32          1HB       CYS  32   8.247   4.942  -1.588
  212   2HB   CYS  32          2HB       CYS  32   9.051   6.441  -1.170
  213    H    CYS  33           H        CYS  33   6.631   9.221  -1.959
  214    HA   CYS  33           HA       CYS  33   8.039   9.214  -4.530
  215   1HB   CYS  33          1HB       CYS  33   6.664  11.107  -5.194
  216   2HB   CYS  33          2HB       CYS  33   5.693   9.690  -4.844
  217    H    ARG  34           H        ARG  34   9.641  10.845  -4.825
  218    HA   ARG  34           HA       ARG  34   9.895  12.898  -2.894
  219   1HB   ARG  34          1HB       ARG  34  11.030  11.330  -1.511
  220   2HB   ARG  34          2HB       ARG  34  11.763  10.507  -2.873
  221   1HG   ARG  34          1HG       ARG  34  13.400  11.918  -1.588
  222   2HG   ARG  34          2HG       ARG  34  13.289  12.371  -3.278
  223   1HD   ARG  34          1HD       ARG  34  12.905  14.497  -2.557
  224   2HD   ARG  34          2HD       ARG  34  11.307  13.953  -2.086
  225    HE   ARG  34           HE       ARG  34  12.686  13.222   0.111
  226   1HH1  ARG  34          1HH1      ARG  34  12.897  16.227  -1.753
  227   2HH1  ARG  34          2HH1      ARG  34  13.373  17.184  -0.391
  228   1HH2  ARG  34          1HH2      ARG  34  13.612  16.139   1.752
  229    H    GLY  35           H        GLY  35  10.819  14.665  -3.932
  230   1HA   GLY  35          1HA       GLY  35  11.955  15.872  -5.454
  231   2HA   GLY  35          2HA       GLY  35  12.946  14.465  -5.783
  232    H    LYS  36           H        LYS  36  12.463  13.077  -7.545
  233    HA   LYS  36           HA       LYS  36  10.074  13.733  -9.083
  234   1HB   LYS  36          1HB       LYS  36  11.260  14.060 -11.122
  235   2HB   LYS  36          2HB       LYS  36  11.963  15.137  -9.933
  236   1HG   LYS  36          1HG       LYS  36  13.986  14.049  -9.945
  237   2HG   LYS  36          2HG       LYS  36  13.249  12.460 -10.011
  238   1HD   LYS  36          1HD       LYS  36  12.708  12.877 -12.460
  239   2HD   LYS  36          2HD       LYS  36  13.598  14.384 -12.358
  240   1HE   LYS  36          1HE       LYS  36  15.659  13.143 -11.706
  241   2HE   LYS  36          2HE       LYS  36  14.776  11.630 -11.752
  242   1HZ   LYS  36          1HZ       LYS  36  14.784  11.627 -14.024
  243   2HZ   LYS  36          2HZ       LYS  36  14.628  13.241 -14.173
  244    H    SER  37           H        SER  37  10.966  11.530  -7.251
  245    HA   SER  37           HA       SER  37  10.660   9.420  -9.224
  246   1HB   SER  37          1HB       SER  37  12.425   8.147  -8.427
  247   2HB   SER  37          2HB       SER  37  13.077   9.752  -8.160
  248    HG   SER  37           HG       SER  37  12.379   7.796  -6.313
  249    H    ARG  38           H        ARG  38   9.279   7.705  -8.551
  250    HA   ARG  38           HA       ARG  38   8.377   7.801  -5.816
  251   1HB   ARG  38          1HB       ARG  38   6.742   9.226  -6.972
  252   2HB   ARG  38          2HB       ARG  38   6.539   8.043  -8.248
  253   1HG   ARG  38          1HG       ARG  38   5.663   6.402  -6.530
  254   2HG   ARG  38          2HG       ARG  38   5.777   7.659  -5.314
  255   1HD   ARG  38          1HD       ARG  38   3.544   7.905  -5.969
  256   2HD   ARG  38          2HD       ARG  38   4.312   9.071  -7.027
  257    HE   ARG  38           HE       ARG  38   4.415   6.724  -8.497
  258   1HH1  ARG  38          1HH1      ARG  38   1.793   8.502  -6.910
  259   2HH1  ARG  38          2HH1      ARG  38   0.586   7.968  -8.032
  260   1HH2  ARG  38          1HH2      ARG  38   1.213   6.508  -9.826
  261    H    LEU  39           H        LEU  39   7.355   5.757  -5.130
  262    HA   LEU  39           HA       LEU  39   7.246   3.627  -7.073
  263   1HB   LEU  39          1HB       LEU  39   9.467   3.265  -6.695
  264   2HB   LEU  39          2HB       LEU  39   9.416   3.878  -5.054
  265    HG   LEU  39           HG       LEU  39   8.002   1.729  -4.563
  266   1HD1  LEU  39          1HD1      LEU  39   8.966  -0.170  -6.050
  267   2HD1  LEU  39          2HD1      LEU  39   7.581   0.784  -6.635
  268   3HD1  LEU  39          3HD1      LEU  39   9.218   1.126  -7.244
  269   1HD2  LEU  39          1HD2      LEU  39  10.334   0.445  -4.496
  270   2HD2  LEU  39          2HD2      LEU  39  10.949   2.085  -4.821
  271   3HD2  LEU  39          3HD2      LEU  39   9.945   1.779  -3.383
  272    H    THR  40           H        THR  40   5.834   1.970  -6.435
  273    HA   THR  40           HA       THR  40   4.514   2.460  -3.845
  274    HB   THR  40           HB       THR  40   3.317   1.293  -6.411
  275    HG1  THR  40           1HG      THR  40   2.989   3.440  -6.915
  276   1HG2  THR  40          1HG2      THR  40   1.177   1.841  -5.353
  277   2HG2  THR  40          2HG2      THR  40   2.106   0.852  -4.201
  278   3HG2  THR  40          3HG2      THR  40   2.005   2.615  -3.980
  279    H    LEU  41           H        LEU  41   5.155   1.017  -2.374
  280    HA   LEU  41           HA       LEU  41   4.917  -1.771  -3.065
  281   1HB   LEU  41          1HB       LEU  41   7.057  -2.402  -2.992
  282   2HB   LEU  41          2HB       LEU  41   7.337  -0.759  -3.535
  283    HG   LEU  41           HG       LEU  41   7.329  -0.513  -0.767
  284   1HD1  LEU  41          1HD1      LEU  41   8.919  -2.229   0.025
  285   2HD1  LEU  41          2HD1      LEU  41   7.340  -2.911  -0.439
  286   3HD1  LEU  41          3HD1      LEU  41   8.740  -3.085  -1.526
  287   1HD2  LEU  41          1HD2      LEU  41   8.943   0.750  -1.698
  288   2HD2  LEU  41          2HD2      LEU  41   9.974  -0.650  -1.315
  289   3HD2  LEU  41          3HD2      LEU  41   9.315  -0.453  -2.956
  290    H    CYS  42           H        CYS  42   5.489  -3.104  -0.937
  291    HA   CYS  42           HA       CYS  42   3.952  -1.789   1.124
  292   1HB   CYS  42          1HB       CYS  42   5.026  -4.596   1.260
  293   2HB   CYS  42          2HB       CYS  42   3.636  -3.911   2.079
  294    H    SER  43           H        SER  43   5.013  -0.624   2.688
  295    HA   SER  43           HA       SER  43   7.372  -1.747   3.839
  296   1HB   SER  43          1HB       SER  43   8.373  -0.497   1.982
  297   2HB   SER  43          2HB       SER  43   7.454   0.937   2.397
  298    HG   SER  43           HG       SER  43   8.602   0.925   4.498
  299    H    TYR  44           H        TYR  44   6.084  -1.840   5.761
  300    HA   TYR  44           HA       TYR  44   5.073   0.725   6.744
  301   1HB   TYR  44          1HB       TYR  44   4.784  -2.044   8.009
  302   2HB   TYR  44          2HB       TYR  44   3.648  -0.711   8.087
  303    HD1  TYR  44           1HD      TYR  44   4.963  -3.414   5.920
  304    HD2  TYR  44           2HD      TYR  44   1.956  -0.410   6.407
  305    HE1  TYR  44           1HE      TYR  44   3.630  -4.427   4.007
  306    HE2  TYR  44           2HE      TYR  44   0.632  -1.434   4.493
  307    HH   TYR  44           HH       TYR  44   0.913  -4.345   3.465
  308    H    GLY  45           H        GLY  45   5.261   0.988   9.230
  309   1HA   GLY  45          1HA       GLY  45   7.997   0.199  10.041
  310   2HA   GLY  45          2HA       GLY  45   7.282   1.762  10.381
  311    H    GLU  46           H        GLU  46   7.279   1.672  12.645
  312    HA   GLU  46           HA       GLU  46   5.659  -0.492  13.746
  313   1HB   GLU  46          1HB       GLU  46   7.804   1.078  15.234
  314   2HB   GLU  46          2HB       GLU  46   6.966  -0.356  15.794
  315   1HG   GLU  46          1HG       GLU  46   8.349  -0.659  13.165
  316   2HG   GLU  46          2HG       GLU  46   9.414  -0.380  14.529
  317    H    GLY  47           H        GLY  47   3.958   0.051  15.155
  318   1HA   GLY  47          1HA       GLY  47   3.484   2.183  16.672
  319   2HA   GLY  47          2HA       GLY  47   3.157   2.849  15.085
  320    H    GLY  48           H        GLY  48   1.890   0.936  13.642
  321   1HA   GLY  48          1HA       GLY  48   0.107  -0.789  14.762
  322   2HA   GLY  48          2HA       GLY  48  -0.670   0.771  14.938
  323    H    ASN  49           H        ASN  49  -0.412   2.225  12.784
  324    HA   ASN  49           HA       ASN  49  -0.561   0.561  10.444
  325   1HB   ASN  49          1HB       ASN  49  -2.906   1.943  11.710
  326   2HB   ASN  49          2HB       ASN  49  -2.763   2.151   9.976
  327   1HD2  ASN  49          1HD2      ASN  49  -4.907   0.871  10.919
  328   2HD2  ASN  49          2HD2      ASN  49  -4.857  -0.828  10.583
  329    H    GLY  50           H        GLY  50   1.283   1.751   9.656
  330   1HA   GLY  50          1HA       GLY  50   0.711   4.330   8.536
  331   2HA   GLY  50          2HA       GLY  50   1.827   4.417   9.885
  332    H    PHE  51           H        PHE  51   2.833   5.225   7.495
  333    HA   PHE  51           HA       PHE  51   4.286   2.902   6.455
  334   1HB   PHE  51          1HB       PHE  51   2.846   4.991   5.244
  335   2HB   PHE  51          2HB       PHE  51   4.486   5.605   5.170
  336    HD1  PHE  51           1HD      PHE  51   5.255   5.372   3.009
  337    HD2  PHE  51           2HD      PHE  51   3.106   2.157   4.756
  338    HE1  PHE  51           1HE      PHE  51   5.686   3.976   0.969
  339    HE2  PHE  51           2HE      PHE  51   3.537   0.760   2.716
  340    HZ   PHE  51           HZ       PHE  51   4.823   1.686   0.847
  341    H    GLN  52           H        GLN  52   6.609   3.427   5.725
  342    HA   GLN  52           HA       GLN  52   7.804   5.464   7.397
  343   1HB   GLN  52          1HB       GLN  52   7.857   3.303   8.686
  344   2HB   GLN  52          2HB       GLN  52   8.771   2.570   7.383
  345   1HG   GLN  52          1HG       GLN  52  10.718   3.549   8.055
  346   2HG   GLN  52          2HG       GLN  52   9.966   5.123   8.223
  347   1HE2  GLN  52          1HE2      GLN  52   9.096   5.775  10.158
  348   2HE2  GLN  52          2HE2      GLN  52   9.380   4.965  11.664
  349    H    CYS  53           H        CYS  53   7.823   6.384   5.117
  350    HA   CYS  53           HA       CYS  53   9.166   5.225   3.030
  351   1HB   CYS  53          1HB       CYS  53   8.480   8.005   3.820
  352   2HB   CYS  53          2HB       CYS  53   9.718   7.821   2.592
  353    HA   PRO  54           HA       PRO  54  13.268   5.301   4.556
  354   1HB   PRO  54          1HB       PRO  54  14.558   4.420   2.313
  355   2HB   PRO  54          2HB       PRO  54  13.789   3.343   3.463
  356   1HG   PRO  54          1HG       PRO  54  12.862   4.153   0.775
  357   2HG   PRO  54          2HG       PRO  54  12.353   2.786   1.747
  358   1HD   PRO  54          1HD       PRO  54  10.918   5.238   1.349
  359   2HD   PRO  54          2HD       PRO  54  10.466   3.918   2.410
  360    H    THR  55           H        THR  55  15.570   6.085   3.860
  361    HA   THR  55           HA       THR  55  15.298   8.856   3.531
  362    HB   THR  55           HB       THR  55  17.630   6.887   3.338
  363    HG1  THR  55           1HG      THR  55  16.633   8.914   5.217
  364   1HG2  THR  55          1HG2      THR  55  18.656   9.370   4.077
  365   2HG2  THR  55          2HG2      THR  55  18.830   8.647   2.460
  366   3HG2  THR  55          3HG2      THR  55  17.518   9.807   2.780
  367    H    GLY  56           H        GLY  56  15.075  10.156   1.817
  368   1HA   GLY  56          1HA       GLY  56  15.559  10.829  -0.360
  369   2HA   GLY  56          2HA       GLY  56  15.946   9.179  -0.805
  370    H    TYR  57           H        TYR  57  13.153   9.095   1.121
  371    HA   TYR  57           HA       TYR  57  11.406   9.372  -1.226
  372   1HB   TYR  57          1HB       TYR  57  11.768   7.192   0.900
  373   2HB   TYR  57          2HB       TYR  57  10.225   7.356   0.085
  374    HD1  TYR  57           1HD      TYR  57  13.462   5.883  -0.050
  375    HD2  TYR  57           2HD      TYR  57  10.266   7.279  -2.528
  376    HE1  TYR  57           1HE      TYR  57  14.318   4.456  -1.972
  377    HE2  TYR  57           2HE      TYR  57  11.133   5.847  -4.442
  378    HH   TYR  57           HH       TYR  57  14.215   4.395  -4.351
  379    H    ARG  58           H        ARG  58   9.152   9.861  -0.723
  380    HA   ARG  58           HA       ARG  58   8.684  10.623   2.015
  381   1HB   ARG  58          1HB       ARG  58   9.601  12.645   0.705
  382   2HB   ARG  58          2HB       ARG  58   8.151  12.575  -0.277
  383   1HG   ARG  58          1HG       ARG  58   7.571  12.500   2.624
  384   2HG   ARG  58          2HG       ARG  58   8.422  13.954   2.142
  385   1HD   ARG  58          1HD       ARG  58   6.667  14.111   0.203
  386   2HD   ARG  58          2HD       ARG  58   5.748  12.926   1.111
  387    HE   ARG  58           HE       ARG  58   6.566  15.090   2.843
  388   1HH1  ARG  58          1HH1      ARG  58   4.230  14.297   0.301
  389   2HH1  ARG  58          2HH1      ARG  58   3.065  15.462   0.836
  390   1HH2  ARG  58          1HH2      ARG  58   3.556  16.821   2.748
  391    H    GLN  59           H        GLN  59   6.801   9.526   2.481
  392    HA   GLN  59           HA       GLN  59   5.183   8.259   0.850
  393   1HB   GLN  59          1HB       GLN  59   3.405   8.465   2.554
  394   2HB   GLN  59          2HB       GLN  59   4.969   8.231   3.308
  395   1HG   GLN  59          1HG       GLN  59   5.036  10.892   3.340
  396   2HG   GLN  59          2HG       GLN  59   3.298  10.752   3.158
  397   1HE2  GLN  59          1HE2      GLN  59   6.013   9.442   5.043
  398   2HE2  GLN  59          2HE2      GLN  59   5.194   9.328   6.565
  399    H    CYS  60           H        CYS  60   3.762   8.683  -0.799
  400    HA   CYS  60           HA       CYS  60   3.375  11.416  -1.530
  401   1HB   CYS  60          1HB       CYS  60   3.368   8.912  -2.843
  402   2HB   CYS  60          2HB       CYS  60   1.763   9.583  -3.054
  Start of MODEL   13
    1   1H    ASP   1          1H        ASP   1 -17.457  -4.857  -8.759
    2    HA   ASP   1           HA       ASP   1 -20.288  -5.498  -8.963
    3   1HB   ASP   1          1HB       ASP   1 -18.219  -7.373  -7.802
    4   2HB   ASP   1          2HB       ASP   1 -19.724  -7.769  -8.607
    5    H    ARG   2           H        ARG   2 -20.004  -7.377  -6.602
    6    HA   ARG   2           HA       ARG   2 -20.625  -5.519  -4.615
    7   1HB   ARG   2          1HB       ARG   2 -19.865  -8.389  -3.993
    8   2HB   ARG   2          2HB       ARG   2 -21.123  -7.412  -3.262
    9   1HG   ARG   2          1HG       ARG   2 -22.142  -7.411  -5.729
   10   2HG   ARG   2          2HG       ARG   2 -21.139  -8.834  -5.934
   11   1HD   ARG   2          1HD       ARG   2 -22.208  -9.771  -3.793
   12   2HD   ARG   2          2HD       ARG   2 -23.329  -8.425  -3.845
   13    HE   ARG   2           HE       ARG   2 -23.527  -9.477  -6.392
   14   1HH1  ARG   2          1HH1      ARG   2 -23.804 -10.897  -3.158
   15   2HH1  ARG   2          2HH1      ARG   2 -24.910 -12.132  -3.659
   16   1HH2  ARG   2          1HH2      ARG   2 -25.591 -12.238  -5.955
   17    H    CYS   3           H        CYS   3 -19.508  -5.399  -2.421
   18    HA   CYS   3           HA       CYS   3 -17.749  -4.989  -1.176
   19   1HB   CYS   3          1HB       CYS   3 -16.357  -6.690  -0.812
   20   2HB   CYS   3          2HB       CYS   3 -17.362  -7.539  -1.970
   21    H    ARG   4           H        ARG   4 -15.417  -4.042  -1.265
   22    HA   ARG   4           HA       ARG   4 -15.214  -2.590  -3.771
   23   1HB   ARG   4          1HB       ARG   4 -14.601  -1.932  -0.897
   24   2HB   ARG   4          2HB       ARG   4 -13.573  -1.193  -2.109
   25   1HG   ARG   4          1HG       ARG   4 -15.952  -0.668  -3.274
   26   2HG   ARG   4          2HG       ARG   4 -16.522  -0.806  -1.622
   27   1HD   ARG   4          1HD       ARG   4 -15.950   1.536  -2.064
   28   2HD   ARG   4          2HD       ARG   4 -14.806   0.889  -0.905
   29    HE   ARG   4           HE       ARG   4 -13.765   0.485  -3.546
   30   1HH1  ARG   4          1HH1      ARG   4 -14.385   3.106  -1.244
   31   2HH1  ARG   4          2HH1      ARG   4 -13.128   4.119  -1.870
   32   1HH2  ARG   4          1HH2      ARG   4 -11.800   3.345  -3.709
   33    H    TYR   5           H        TYR   5 -14.176  -4.880  -4.374
   34    HA   TYR   5           HA       TYR   5 -11.918  -5.939  -3.492
   35   1HB   TYR   5          1HB       TYR   5 -11.442  -6.340  -5.968
   36   2HB   TYR   5          2HB       TYR   5 -13.132  -6.586  -5.574
   37    HD1  TYR   5           1HD      TYR   5 -14.835  -4.891  -6.236
   38    HD2  TYR   5           2HD      TYR   5 -10.741  -4.553  -7.431
   39    HE1  TYR   5           1HE      TYR   5 -15.490  -3.213  -8.029
   40    HE2  TYR   5           2HE      TYR   5 -11.409  -2.875  -9.220
   41    HH   TYR   5           HH       TYR   5 -13.014  -1.770 -10.138
   42    H    THR   6           H        THR   6  -9.859  -5.345  -3.018
   43    HA   THR   6           HA       THR   6  -8.668  -3.154  -4.531
   44    HB   THR   6           HB       THR   6  -9.537  -1.890  -2.702
   45    HG1  THR   6           1HG      THR   6  -7.495  -1.290  -2.066
   46   1HG2  THR   6          1HG2      THR   6  -8.875  -2.850  -0.283
   47   2HG2  THR   6          2HG2      THR   6 -10.398  -3.343  -1.062
   48   3HG2  THR   6          3HG2      THR   6  -8.976  -4.413  -1.128
   49    H    LEU   7           H        LEU   7  -6.259  -2.906  -3.780
   50    HA   LEU   7           HA       LEU   7  -5.241  -5.650  -3.617
   51   1HB   LEU   7          1HB       LEU   7  -4.373  -3.183  -5.042
   52   2HB   LEU   7          2HB       LEU   7  -3.128  -4.280  -4.476
   53    HG   LEU   7           HG       LEU   7  -4.746  -6.061  -5.704
   54   1HD1  LEU   7          1HD1      LEU   7  -5.527  -5.102  -7.838
   55   2HD1  LEU   7          2HD1      LEU   7  -6.382  -4.427  -6.428
   56   3HD1  LEU   7          3HD1      LEU   7  -5.116  -3.476  -7.241
   57   1HD2  LEU   7          1HD2      LEU   7  -2.228  -5.304  -6.014
   58   2HD2  LEU   7          2HD2      LEU   7  -3.065  -6.297  -7.231
   59   3HD2  LEU   7          3HD2      LEU   7  -2.887  -4.543  -7.482
   60    H    CYS   8           H        CYS   8  -4.524  -6.252  -1.652
   61    HA   CYS   8           HA       CYS   8  -3.308  -4.145  -0.016
   62   1HB   CYS   8          1HB       CYS   8  -4.938  -6.513   0.927
   63   2HB   CYS   8          2HB       CYS   8  -4.082  -5.394   1.970
   64    H    CYS   9           H        CYS   9  -1.664  -5.129   1.599
   65    HA   CYS   9           HA       CYS   9  -0.254  -7.291   0.221
   66   1HB   CYS   9          1HB       CYS   9   0.648  -4.829   1.615
   67   2HB   CYS   9          2HB       CYS   9   1.631  -6.263   1.841
   68    H    ASP  10           H        ASP  10   0.632  -9.020   1.553
   69    HA   ASP  10           HA       ASP  10  -0.957  -9.426   3.906
   70   1HB   ASP  10          1HB       ASP  10  -0.805 -11.367   2.557
   71   2HB   ASP  10          2HB       ASP  10   0.892 -11.110   2.204
   72    H    GLY  11           H        GLY  11   2.069  -8.073   3.048
   73   1HA   GLY  11          1HA       GLY  11   3.604  -7.137   4.472
   74   2HA   GLY  11          2HA       GLY  11   2.954  -8.059   5.814
   75    H    ALA  12           H        ALA  12   3.027 -10.623   4.113
   76    HA   ALA  12           HA       ALA  12   5.862 -10.997   3.695
   77   1HB   ALA  12          1HB       ALA  12   5.391 -11.324   6.184
   78   2HB   ALA  12          2HB       ALA  12   4.399 -12.727   5.719
   79   3HB   ALA  12          3HB       ALA  12   6.140 -12.705   5.346
   80    H    LEU  13           H        LEU  13   5.088 -11.274   1.497
   81    HA   LEU  13           HA       LEU  13   4.838 -13.801   0.638
   82   1HB   LEU  13          1HB       LEU  13   2.335 -12.944   1.838
   83   2HB   LEU  13          2HB       LEU  13   2.126 -13.379   0.154
   84    HG   LEU  13           HG       LEU  13   3.696 -15.283   1.813
   85   1HD1  LEU  13          1HD1      LEU  13   1.060 -16.098   2.240
   86   2HD1  LEU  13          2HD1      LEU  13   2.205 -15.472   3.449
   87   3HD1  LEU  13          3HD1      LEU  13   1.073 -14.364   2.639
   88   1HD2  LEU  13          1HD2      LEU  13   1.573 -16.483   0.343
   89   2HD2  LEU  13          2HD2      LEU  13   2.339 -15.255  -0.694
   90   3HD2  LEU  13          3HD2      LEU  13   3.325 -16.547   0.032
   91    H    LYS  14           H        LYS  14   2.303 -11.455  -0.317
   92    HA   LYS  14           HA       LYS  14   3.791  -9.921  -2.059
   93   1HB   LYS  14          1HB       LYS  14   3.895 -12.456  -3.021
   94   2HB   LYS  14          2HB       LYS  14   2.434 -11.897  -3.809
   95   1HG   LYS  14          1HG       LYS  14   4.404 -11.411  -5.217
   96   2HG   LYS  14          2HG       LYS  14   3.640  -9.919  -4.707
   97   1HD   LYS  14          1HD       LYS  14   5.529 -10.568  -2.663
   98   2HD   LYS  14          2HD       LYS  14   6.349 -10.856  -4.184
   99   1HE   LYS  14          1HE       LYS  14   4.760  -8.348  -4.160
  100   2HE   LYS  14          2HE       LYS  14   6.043  -8.369  -2.967
  101   1HZ   LYS  14          1HZ       LYS  14   7.561  -8.145  -4.595
  102   2HZ   LYS  14          2HZ       LYS  14   6.967  -9.384  -5.467
  103    H    ALA  15           H        ALA  15   2.511  -8.231  -2.715
  104    HA   ALA  15           HA       ALA  15  -0.009  -7.943  -1.639
  105   1HB   ALA  15          1HB       ALA  15   0.557  -6.453  -4.143
  106   2HB   ALA  15          2HB       ALA  15   0.151  -5.849  -2.519
  107   3HB   ALA  15          3HB       ALA  15   1.819  -6.344  -2.894
  108    H    VAL  16           H        VAL  16  -2.123  -8.244  -2.388
  109    HA   VAL  16           HA       VAL  16  -2.494  -9.230  -5.080
  110    HB   VAL  16           HB       VAL  16  -1.928 -11.118  -3.299
  111   1HG1  VAL  16          1HG1      VAL  16  -3.693 -10.482  -1.720
  112   2HG1  VAL  16          2HG1      VAL  16  -4.925 -10.742  -2.978
  113   3HG1  VAL  16          3HG1      VAL  16  -3.971 -12.116  -2.367
  114   1HG2  VAL  16          1HG2      VAL  16  -3.901 -11.115  -5.573
  115   2HG2  VAL  16          2HG2      VAL  16  -2.258 -11.797  -5.498
  116   3HG2  VAL  16          3HG2      VAL  16  -3.597 -12.604  -4.647
  117    H    SER  17           H        SER  17  -4.899  -9.449  -5.558
  118    HA   SER  17           HA       SER  17  -6.203  -7.268  -4.192
  119   1HB   SER  17          1HB       SER  17  -7.945  -8.010  -6.177
  120   2HB   SER  17          2HB       SER  17  -6.654  -6.844  -6.386
  121    HG   SER  17           HG       SER  17  -5.994  -8.182  -7.926
  122    H    ALA  18           H        ALA  18  -7.970  -7.534  -2.828
  123    HA   ALA  18           HA       ALA  18  -9.158 -10.219  -2.743
  124   1HB   ALA  18          1HB       ALA  18  -7.893  -8.577  -0.579
  125   2HB   ALA  18          2HB       ALA  18  -9.358  -9.499  -0.168
  126   3HB   ALA  18          3HB       ALA  18  -7.925 -10.342  -0.802
  127    H    CYS  19           H        CYS  19 -11.395 -10.224  -1.866
  128    HA   CYS  19           HA       CYS  19 -12.740  -7.808  -2.733
  129   1HB   CYS  19          1HB       CYS  19 -13.308 -10.284  -3.386
  130   2HB   CYS  19          2HB       CYS  19 -14.154 -10.299  -1.851
  131    H    LEU  20           H        LEU  20 -12.095  -6.486  -0.861
  132    HA   LEU  20           HA       LEU  20 -13.167  -7.398   1.697
  133   1HB   LEU  20          1HB       LEU  20 -11.231  -6.613   2.403
  134   2HB   LEU  20          2HB       LEU  20 -10.878  -5.879   0.852
  135    HG   LEU  20           HG       LEU  20 -12.620  -4.575   2.956
  136   1HD1  LEU  20          1HD1      LEU  20 -10.790  -4.155   4.139
  137   2HD1  LEU  20          2HD1      LEU  20  -9.753  -4.907   2.905
  138   3HD1  LEU  20          3HD1      LEU  20 -10.188  -3.186   2.772
  139   1HD2  LEU  20          1HD2      LEU  20 -11.952  -3.934   0.208
  140   2HD2  LEU  20          2HD2      LEU  20 -13.140  -3.186   1.302
  141   3HD2  LEU  20          3HD2      LEU  20 -11.446  -2.641   1.321
  142    H    HIS  21           H        HIS  21 -14.427  -5.831   3.022
  143    HA   HIS  21           HA       HIS  21 -16.177  -4.311   1.244
  144   1HB   HIS  21          1HB       HIS  21 -16.666  -5.371   4.041
  145   2HB   HIS  21          2HB       HIS  21 -17.823  -4.471   3.082
  146    HD1  HIS  21           1HD      HIS  21 -16.872  -7.855   3.882
  147    HD2  HIS  21           2HD      HIS  21 -18.395  -5.927   0.483
  148    HE1  HIS  21           1HE      HIS  21 -17.861  -9.686   2.406
  149    H    GLU  22           H        GLU  22 -17.328  -2.454   2.820
  150    HA   GLU  22           HA       GLU  22 -15.305  -0.561   3.060
  151   1HB   GLU  22          1HB       GLU  22 -18.235  -0.700   3.500
  152   2HB   GLU  22          2HB       GLU  22 -17.426   0.492   4.500
  153   1HG   GLU  22          1HG       GLU  22 -16.198   1.063   2.156
  154   2HG   GLU  22          2HG       GLU  22 -17.671   0.374   1.501
  155    H    SER  23           H        SER  23 -16.679  -2.919   5.299
  156    HA   SER  23           HA       SER  23 -15.755  -1.560   7.614
  157   1HB   SER  23          1HB       SER  23 -16.244  -3.979   8.599
  158   2HB   SER  23          2HB       SER  23 -17.561  -2.917   8.143
  159    HG   SER  23           HG       SER  23 -17.431  -5.302   7.319
  160    H    GLU  24           H        GLU  24 -14.992  -4.949   6.554
  161    HA   GLU  24           HA       GLU  24 -12.769  -5.364   7.876
  162   1HB   GLU  24          1HB       GLU  24 -13.925  -6.841   6.108
  163   2HB   GLU  24          2HB       GLU  24 -12.921  -6.044   4.914
  164   1HG   GLU  24          1HG       GLU  24 -11.829  -8.122   5.623
  165   2HG   GLU  24          2HG       GLU  24 -10.870  -6.757   6.161
  166    H    SER  25           H        SER  25 -10.420  -5.177   7.467
  167    HA   SER  25           HA       SER  25  -9.724  -3.112   5.567
  168   1HB   SER  25          1HB       SER  25 -10.111  -1.946   7.735
  169   2HB   SER  25          2HB       SER  25  -8.958  -3.008   8.519
  170    HG   SER  25           HG       SER  25  -8.369  -0.709   7.454
  171    H    CYS  26           H        CYS  26  -7.392  -3.137   5.019
  172    HA   CYS  26           HA       CYS  26  -5.957  -5.441   6.072
  173   1HB   CYS  26          1HB       CYS  26  -5.180  -5.747   3.580
  174   2HB   CYS  26          2HB       CYS  26  -6.611  -6.544   4.205
  175    H    LEU  27           H        LEU  27  -3.560  -5.274   5.012
  176    HA   LEU  27           HA       LEU  27  -2.687  -2.612   5.667
  177   1HB   LEU  27          1HB       LEU  27  -1.639  -4.847   6.370
  178   2HB   LEU  27          2HB       LEU  27  -0.976  -4.909   4.749
  179    HG   LEU  27           HG       LEU  27  -0.360  -2.334   5.776
  180   1HD1  LEU  27          1HD1      LEU  27   0.331  -4.535   7.742
  181   2HD1  LEU  27          2HD1      LEU  27   0.909  -2.851   7.796
  182   3HD1  LEU  27          3HD1      LEU  27  -0.821  -3.207   8.017
  183   1HD2  LEU  27          1HD2      LEU  27   2.011  -3.534   5.805
  184   2HD2  LEU  27          2HD2      LEU  27   1.106  -4.787   4.920
  185   3HD2  LEU  27          3HD2      LEU  27   1.174  -3.123   4.288
  186    H    VAL  28           H        VAL  28  -3.351  -1.198   4.046
  187    HA   VAL  28           HA       VAL  28  -2.907  -1.901   1.297
  188    HB   VAL  28           HB       VAL  28  -4.852  -0.662   1.785
  189   1HG1  VAL  28          1HG1      VAL  28  -4.286   1.826   2.743
  190   2HG1  VAL  28          2HG1      VAL  28  -4.792   0.449   3.753
  191   3HG1  VAL  28          3HG1      VAL  28  -3.065   0.851   3.595
  192   1HG2  VAL  28          1HG2      VAL  28  -4.273   1.642   0.656
  193   2HG2  VAL  28          2HG2      VAL  28  -2.677   0.892   0.412
  194   3HG2  VAL  28          3HG2      VAL  28  -4.133   0.127  -0.267
  195    HA   PRO  29           HA       PRO  29   1.080  -0.240   1.055
  196   1HB   PRO  29          1HB       PRO  29   1.326   0.029  -1.654
  197   2HB   PRO  29          2HB       PRO  29   1.558  -1.493  -0.818
  198   1HG   PRO  29          1HG       PRO  29  -0.737  -0.609  -2.458
  199   2HG   PRO  29          2HG       PRO  29  -0.293  -2.235  -1.977
  200   1HD   PRO  29          1HD       PRO  29  -2.386  -0.626  -0.856
  201   2HD   PRO  29          2HD       PRO  29  -1.865  -2.204  -0.300
  202    H    GLY  30           H        GLY  30   2.312   1.565  -0.487
  203   1HA   GLY  30          1HA       GLY  30   0.593   3.931  -0.525
  204   2HA   GLY  30          2HA       GLY  30   1.959   3.945   0.573
  205    H    ASP  31           H        ASP  31   1.719   5.795  -1.574
  206    HA   ASP  31           HA       ASP  31   3.673   4.759  -3.467
  207   1HB   ASP  31          1HB       ASP  31   2.082   7.337  -3.748
  208   2HB   ASP  31          2HB       ASP  31   2.908   6.448  -5.013
  209    H    CYS  32           H        CYS  32   5.759   5.386  -2.882
  210    HA   CYS  32           HA       CYS  32   6.077   7.763  -1.270
  211   1HB   CYS  32          1HB       CYS  32   7.998   5.600  -2.141
  212   2HB   CYS  32          2HB       CYS  32   8.493   7.020  -1.242
  213    H    CYS  33           H        CYS  33   6.678   9.728  -2.141
  214    HA   CYS  33           HA       CYS  33   7.392   9.714  -4.968
  215   1HB   CYS  33          1HB       CYS  33   5.755  11.412  -3.302
  216   2HB   CYS  33          2HB       CYS  33   7.010  12.358  -4.076
  217    H    ARG  34           H        ARG  34   9.409  10.518  -5.647
  218    HA   ARG  34           HA       ARG  34  11.071  11.638  -3.548
  219   1HB   ARG  34          1HB       ARG  34  11.511   9.109  -4.152
  220   2HB   ARG  34          2HB       ARG  34  12.212   9.735  -5.630
  221   1HG   ARG  34          1HG       ARG  34  13.338  11.338  -3.591
  222   2HG   ARG  34          2HG       ARG  34  13.319   9.724  -2.911
  223   1HD   ARG  34          1HD       ARG  34  15.372   9.722  -4.057
  224   2HD   ARG  34          2HD       ARG  34  14.315   8.983  -5.243
  225    HE   ARG  34           HE       ARG  34  14.135  11.720  -5.771
  226   1HH1  ARG  34          1HH1      ARG  34  16.778   9.365  -5.619
  227   2HH1  ARG  34          2HH1      ARG  34  17.756  10.203  -6.779
  228   1HH2  ARG  34          1HH2      ARG  34  16.941  12.235  -7.753
  229    H    GLY  35           H        GLY  35  11.652  13.678  -4.224
  230   1HA   GLY  35          1HA       GLY  35  12.165  15.406  -5.566
  231   2HA   GLY  35          2HA       GLY  35  13.065  14.246  -6.523
  232    H    LYS  36           H        LYS  36  12.175  13.376  -8.455
  233    HA   LYS  36           HA       LYS  36   9.551  14.467  -9.187
  234   1HB   LYS  36          1HB       LYS  36  10.402  14.888 -11.452
  235   2HB   LYS  36          2HB       LYS  36  11.232  15.853 -10.249
  236   1HG   LYS  36          1HG       LYS  36  13.158  14.333 -10.262
  237   2HG   LYS  36          2HG       LYS  36  12.312  13.197 -11.295
  238   1HD   LYS  36          1HD       LYS  36  12.225  14.906 -13.116
  239   2HD   LYS  36          2HD       LYS  36  13.049  16.057 -12.081
  240   1HE   LYS  36          1HE       LYS  36  14.803  13.966 -11.905
  241   2HE   LYS  36          2HE       LYS  36  14.143  13.651 -13.498
  242   1HZ   LYS  36          1HZ       LYS  36  14.882  15.736 -14.267
  243   2HZ   LYS  36          2HZ       LYS  36  15.084  16.361 -12.777
  244    H    SER  37           H        SER  37   9.848  11.973  -7.980
  245    HA   SER  37           HA       SER  37   9.054  10.325 -10.197
  246   1HB   SER  37          1HB       SER  37  11.534   9.878  -8.585
  247   2HB   SER  37          2HB       SER  37  10.545   8.460  -8.873
  248    HG   SER  37           HG       SER  37  12.026   8.640 -10.591
  249    H    ARG  38           H        ARG  38   8.023   8.218  -9.350
  250    HA   ARG  38           HA       ARG  38   7.287   8.383  -6.577
  251   1HB   ARG  38          1HB       ARG  38   5.489   9.682  -7.578
  252   2HB   ARG  38          2HB       ARG  38   5.291   8.530  -8.883
  253   1HG   ARG  38          1HG       ARG  38   4.974   7.477  -6.083
  254   2HG   ARG  38          2HG       ARG  38   3.708   8.531  -6.679
  255   1HD   ARG  38          1HD       ARG  38   4.656   5.905  -7.906
  256   2HD   ARG  38          2HD       ARG  38   3.072   6.258  -7.243
  257    HE   ARG  38           HE       ARG  38   4.046   6.979  -9.904
  258   1HH1  ARG  38          1HH1      ARG  38   1.714   7.826  -7.375
  259   2HH1  ARG  38          2HH1      ARG  38   0.624   8.610  -8.469
  260   1HH2  ARG  38          1HH2      ARG  38   1.170   8.708 -10.801
  261    H    LEU  39           H        LEU  39   6.501   6.314  -5.739
  262    HA   LEU  39           HA       LEU  39   6.277   4.122  -7.601
  263   1HB   LEU  39          1HB       LEU  39   8.010   2.883  -6.044
  264   2HB   LEU  39          2HB       LEU  39   8.488   3.738  -7.497
  265    HG   LEU  39           HG       LEU  39   8.526   5.581  -5.292
  266   1HD1  LEU  39          1HD1      LEU  39  10.484   3.390  -4.752
  267   2HD1  LEU  39          2HD1      LEU  39   9.801   4.619  -3.659
  268   3HD1  LEU  39          3HD1      LEU  39   8.819   3.217  -4.147
  269   1HD2  LEU  39          1HD2      LEU  39   9.940   5.093  -7.607
  270   2HD2  LEU  39          2HD2      LEU  39  10.352   6.294  -6.360
  271   3HD2  LEU  39          3HD2      LEU  39  11.111   4.684  -6.331
  272    H    THR  40           H        THR  40   5.083   2.383  -6.735
  273    HA   THR  40           HA       THR  40   4.039   2.901  -4.028
  274    HB   THR  40           HB       THR  40   2.596   1.559  -6.367
  275    HG1  THR  40           1HG      THR  40   2.104   3.655  -6.959
  276   1HG2  THR  40          1HG2      THR  40   1.664   1.230  -4.018
  277   2HG2  THR  40          2HG2      THR  40   1.556   3.001  -3.874
  278   3HG2  THR  40          3HG2      THR  40   0.579   2.146  -5.092
  279    H    LEU  41           H        LEU  41   4.530   1.439  -2.528
  280    HA   LEU  41           HA       LEU  41   4.668  -1.340  -3.296
  281   1HB   LEU  41          1HB       LEU  41   7.038  -0.433  -1.776
  282   2HB   LEU  41          2HB       LEU  41   6.858  -1.748  -2.918
  283    HG   LEU  41           HG       LEU  41   6.804   1.100  -3.885
  284   1HD1  LEU  41          1HD1      LEU  41   9.260  -0.513  -3.171
  285   2HD1  LEU  41          2HD1      LEU  41   9.282   0.873  -4.287
  286   3HD1  LEU  41          3HD1      LEU  41   8.795   1.104  -2.592
  287   1HD2  LEU  41          1HD2      LEU  41   6.518  -1.377  -5.129
  288   2HD2  LEU  41          2HD2      LEU  41   6.811   0.194  -5.915
  289   3HD2  LEU  41          3HD2      LEU  41   8.180  -0.871  -5.514
  290    H    CYS  42           H        CYS  42   5.541  -2.503  -1.007
  291    HA   CYS  42           HA       CYS  42   3.742  -1.333   0.988
  292   1HB   CYS  42          1HB       CYS  42   4.522  -4.239   0.872
  293   2HB   CYS  42          2HB       CYS  42   3.206  -3.493   1.758
  294    H    SER  43           H        SER  43   4.746  -0.612   2.842
  295    HA   SER  43           HA       SER  43   7.008  -2.002   3.842
  296   1HB   SER  43          1HB       SER  43   7.442   0.271   2.114
  297   2HB   SER  43          2HB       SER  43   7.913   0.725   3.740
  298    HG   SER  43           HG       SER  43   8.772  -1.834   2.864
  299    H    TYR  44           H        TYR  44   7.325  -1.538   6.087
  300    HA   TYR  44           HA       TYR  44   5.209   0.138   7.222
  301   1HB   TYR  44          1HB       TYR  44   7.171  -1.884   8.469
  302   2HB   TYR  44          2HB       TYR  44   5.728  -1.256   9.240
  303    HD1  TYR  44           1HD      TYR  44   3.623  -2.310   8.941
  304    HD2  TYR  44           2HD      TYR  44   6.910  -3.389   6.424
  305    HE1  TYR  44           1HE      TYR  44   2.291  -4.274   8.030
  306    HE2  TYR  44           2HE      TYR  44   5.566  -5.349   5.522
  307    HH   TYR  44           HH       TYR  44   2.518  -6.254   6.949
  308    H    GLY  45           H        GLY  45   5.912   1.134   9.463
  309   1HA   GLY  45          1HA       GLY  45   8.573   1.847   9.939
  310   2HA   GLY  45          2HA       GLY  45   7.866   3.089   8.927
  311    H    GLU  46           H        GLU  46   7.258   1.186  11.950
  312    HA   GLU  46           HA       GLU  46   6.831   3.423  13.481
  313   1HB   GLU  46          1HB       GLU  46   4.416   3.482  13.799
  314   2HB   GLU  46          2HB       GLU  46   4.764   3.693  12.094
  315   1HG   GLU  46          1HG       GLU  46   3.803   1.686  11.508
  316   2HG   GLU  46          2HG       GLU  46   4.426   0.854  12.918
  317    H    GLY  47           H        GLY  47   6.204   2.844  15.734
  318   1HA   GLY  47          1HA       GLY  47   7.093   0.177  16.372
  319   2HA   GLY  47          2HA       GLY  47   6.686   1.470  17.482
  320    H    GLY  48           H        GLY  48   4.774  -0.133  14.838
  321   1HA   GLY  48          1HA       GLY  48   3.112  -1.588  16.625
  322   2HA   GLY  48          2HA       GLY  48   2.338  -0.089  16.151
  323    H    ASN  49           H        ASN  49   1.368   0.081  14.136
  324    HA   ASN  49           HA       ASN  49   2.152  -1.794  12.108
  325   1HB   ASN  49          1HB       ASN  49  -0.378  -1.988  13.663
  326   2HB   ASN  49          2HB       ASN  49  -0.635  -1.962  11.930
  327   1HD2  ASN  49          1HD2      ASN  49   0.236  -3.794  14.619
  328   2HD2  ASN  49          2HD2      ASN  49   0.764  -5.247  13.837
  329    H    GLY  50           H        GLY  50   2.574  -0.221  10.527
  330   1HA   GLY  50          1HA       GLY  50   0.422   1.285   9.429
  331   2HA   GLY  50          2HA       GLY  50   1.485   2.311  10.372
  332    H    PHE  51           H        PHE  51   1.283   2.794   7.656
  333    HA   PHE  51           HA       PHE  51   3.583   1.472   6.445
  334   1HB   PHE  51          1HB       PHE  51   1.423   1.643   5.190
  335   2HB   PHE  51          2HB       PHE  51   1.366   3.372   5.473
  336    HD1  PHE  51           1HD      PHE  51   2.702   4.892   4.156
  337    HD2  PHE  51           2HD      PHE  51   2.992   0.702   3.556
  338    HE1  PHE  51           1HE      PHE  51   3.916   5.287   1.995
  339    HE2  PHE  51           2HE      PHE  51   4.206   1.096   1.395
  340    HZ   PHE  51           HZ       PHE  51   4.654   3.383   0.641
  341    H    GLN  52           H        GLN  52   5.342   2.683   5.521
  342    HA   GLN  52           HA       GLN  52   5.392   5.499   6.067
  343   1HB   GLN  52          1HB       GLN  52   6.304   4.024   8.108
  344   2HB   GLN  52          2HB       GLN  52   7.750   3.947   7.122
  345   1HG   GLN  52          1HG       GLN  52   8.231   5.913   8.233
  346   2HG   GLN  52          2HG       GLN  52   7.305   6.603   6.915
  347   1HE2  GLN  52          1HE2      GLN  52   7.581   7.892   9.313
  348   2HE2  GLN  52          2HE2      GLN  52   6.068   7.965  10.153
  349    H    CYS  53           H        CYS  53   7.249   6.583   4.969
  350    HA   CYS  53           HA       CYS  53   7.931   5.089   2.587
  351   1HB   CYS  53          1HB       CYS  53   7.792   7.959   3.341
  352   2HB   CYS  53          2HB       CYS  53   8.997   7.517   2.148
  353    HA   PRO  54           HA       PRO  54  12.036   4.488   3.918
  354   1HB   PRO  54          1HB       PRO  54  13.381   4.296   1.547
  355   2HB   PRO  54          2HB       PRO  54  12.454   2.977   2.232
  356   1HG   PRO  54          1HG       PRO  54  11.766   4.743  -0.037
  357   2HG   PRO  54          2HG       PRO  54  11.083   3.186   0.389
  358   1HD   PRO  54          1HD       PRO  54   9.891   5.759   0.820
  359   2HD   PRO  54          2HD       PRO  54   9.262   4.211   1.349
  360    H    THR  55           H        THR  55  14.338   5.265   3.908
  361    HA   THR  55           HA       THR  55  14.249   8.065   4.255
  362    HB   THR  55           HB       THR  55  16.479   5.976   4.127
  363    HG1  THR  55           1HG      THR  55  15.907   5.904   6.277
  364   1HG2  THR  55          1HG2      THR  55  17.698   7.829   5.507
  365   2HG2  THR  55          2HG2      THR  55  17.663   8.033   3.739
  366   3HG2  THR  55          3HG2      THR  55  16.541   8.960   4.765
  367    H    GLY  56           H        GLY  56  14.531   9.734   2.906
  368   1HA   GLY  56          1HA       GLY  56  15.606  10.801   1.123
  369   2HA   GLY  56          2HA       GLY  56  15.932   9.252   0.372
  370    H    TYR  57           H        TYR  57  12.838   8.848   1.452
  371    HA   TYR  57           HA       TYR  57  11.722   9.897  -1.061
  372   1HB   TYR  57          1HB       TYR  57  11.283   7.447   0.728
  373   2HB   TYR  57          2HB       TYR  57  10.012   7.949  -0.368
  374    HD1  TYR  57           1HD      TYR  57  10.112   7.440  -2.697
  375    HD2  TYR  57           2HD      TYR  57  13.528   6.758  -0.214
  376    HE1  TYR  57           1HE      TYR  57  11.225   6.136  -4.574
  377    HE2  TYR  57           2HE      TYR  57  14.631   5.457  -2.099
  378    HH   TYR  57           HH       TYR  57  13.806   4.136  -4.094
  379    H    ARG  58           H        ARG  58   9.129   9.973  -0.779
  380    HA   ARG  58           HA       ARG  58   8.476  10.972   1.836
  381   1HB   ARG  58          1HB       ARG  58   8.640  12.659  -0.659
  382   2HB   ARG  58          2HB       ARG  58   7.304  12.974   0.430
  383   1HG   ARG  58          1HG       ARG  58   8.662  13.863   2.058
  384   2HG   ARG  58          2HG       ARG  58   9.922  12.672   1.804
  385   1HD   ARG  58          1HD       ARG  58  11.114  14.135   0.541
  386   2HD   ARG  58          2HD       ARG  58   9.765  14.345  -0.557
  387    HE   ARG  58           HE       ARG  58   9.131  15.846   1.750
  388   1HH1  ARG  58          1HH1      ARG  58  11.641  15.867  -0.750
  389   2HH1  ARG  58          2HH1      ARG  58  11.917  17.573  -0.634
  390   1HH2  ARG  58          1HH2      ARG  58  10.644  18.864   0.934
  391    H    GLN  59           H        GLN  59   5.942  11.874   1.546
  392    HA   GLN  59           HA       GLN  59   4.618   9.559   0.471
  393   1HB   GLN  59          1HB       GLN  59   4.025  11.644   2.494
  394   2HB   GLN  59          2HB       GLN  59   2.635  11.177   1.535
  395   1HG   GLN  59          1HG       GLN  59   4.335   8.916   2.505
  396   2HG   GLN  59          2HG       GLN  59   3.495   9.809   3.756
  397   1HE2  GLN  59          1HE2      GLN  59   2.938   8.462   0.507
  398   2HE2  GLN  59          2HE2      GLN  59   1.349   7.836   0.797
  399    H    CYS  60           H        CYS  60   3.629   9.521  -1.505
  400    HA   CYS  60           HA       CYS  60   3.588  11.946  -3.026
  401   1HB   CYS  60          1HB       CYS  60   3.989   9.352  -3.686
  402   2HB   CYS  60          2HB       CYS  60   2.292   9.506  -4.091
  Start of MODEL   14
    1   1H    ASP   1          1H        ASP   1 -21.013  -1.129  -0.366
    2    HA   ASP   1           HA       ASP   1 -23.147  -1.793  -0.708
    3   1HB   ASP   1          1HB       ASP   1 -22.376  -1.309  -3.504
    4   2HB   ASP   1          2HB       ASP   1 -23.304  -2.788  -3.353
    5    H    ARG   2           H        ARG   2 -20.426  -3.237  -2.614
    6    HA   ARG   2           HA       ARG   2 -20.966  -5.733  -1.257
    7   1HB   ARG   2          1HB       ARG   2 -20.123  -5.862  -4.155
    8   2HB   ARG   2          2HB       ARG   2 -21.021  -7.039  -3.218
    9   1HG   ARG   2          1HG       ARG   2 -22.760  -6.180  -4.494
   10   2HG   ARG   2          2HG       ARG   2 -22.858  -5.092  -3.123
   11   1HD   ARG   2          1HD       ARG   2 -22.901  -3.712  -5.112
   12   2HD   ARG   2          2HD       ARG   2 -21.327  -3.484  -4.377
   13    HE   ARG   2           HE       ARG   2 -21.001  -5.625  -6.168
   14   1HH1  ARG   2          1HH1      ARG   2 -21.963  -2.223  -6.401
   15   2HH1  ARG   2          2HH1      ARG   2 -21.366  -2.036  -8.016
   16   1HH2  ARG   2          1HH2      ARG   2 -20.341  -3.905  -9.112
   17    H    CYS   3           H        CYS   3 -19.014  -7.206  -1.266
   18    HA   CYS   3           HA       CYS   3 -16.753  -6.013  -0.469
   19   1HB   CYS   3          1HB       CYS   3 -17.157  -8.377  -0.199
   20   2HB   CYS   3          2HB       CYS   3 -17.037  -8.645  -1.927
   21    H    ARG   4           H        ARG   4 -14.839  -5.198  -1.444
   22    HA   ARG   4           HA       ARG   4 -15.188  -4.511  -4.206
   23   1HB   ARG   4          1HB       ARG   4 -12.785  -3.751  -2.507
   24   2HB   ARG   4          2HB       ARG   4 -13.490  -2.863  -3.843
   25   1HG   ARG   4          1HG       ARG   4 -15.621  -2.654  -2.357
   26   2HG   ARG   4          2HG       ARG   4 -14.611  -3.197  -1.032
   27   1HD   ARG   4          1HD       ARG   4 -13.569  -1.171  -0.852
   28   2HD   ARG   4          2HD       ARG   4 -13.303  -1.059  -2.580
   29    HE   ARG   4           HE       ARG   4 -16.097  -0.649  -2.001
   30   1HH1  ARG   4          1HH1      ARG   4 -12.962   0.986  -1.768
   31   2HH1  ARG   4          2HH1      ARG   4 -13.646   2.575  -1.850
   32   1HH2  ARG   4          1HH2      ARG   4 -16.021   2.824  -2.051
   33    H    TYR   5           H        TYR   5 -12.087  -4.238  -4.370
   34    HA   TYR   5           HA       TYR   5 -10.930  -6.763  -4.139
   35   1HB   TYR   5          1HB       TYR   5 -12.599  -7.354  -5.905
   36   2HB   TYR   5          2HB       TYR   5 -12.176  -5.925  -6.827
   37    HD1  TYR   5           1HD      TYR   5 -10.399  -5.961  -8.405
   38    HD2  TYR   5           2HD      TYR   5 -10.883  -9.220  -5.676
   39    HE1  TYR   5           1HE      TYR   5  -8.687  -7.317  -9.707
   40    HE2  TYR   5           2HE      TYR   5  -9.170 -10.564  -6.987
   41    HH   TYR   5           HH       TYR   5  -7.179  -9.128  -9.349
   42    H    THR   6           H        THR   6  -8.964  -5.884  -3.635
   43    HA   THR   6           HA       THR   6  -7.676  -4.321  -5.739
   44    HB   THR   6           HB       THR   6  -7.520  -3.432  -2.834
   45    HG1  THR   6           1HG      THR   6  -9.351  -2.049  -3.433
   46   1HG2  THR   6          1HG2      THR   6  -7.673  -1.311  -4.766
   47   2HG2  THR   6          2HG2      THR   6  -6.266  -1.775  -3.779
   48   3HG2  THR   6          3HG2      THR   6  -6.501  -2.498  -5.388
   49    H    LEU   7           H        LEU   7  -5.264  -4.087  -5.276
   50    HA   LEU   7           HA       LEU   7  -4.353  -6.716  -4.492
   51   1HB   LEU   7          1HB       LEU   7  -3.104  -4.356  -5.877
   52   2HB   LEU   7          2HB       LEU   7  -2.135  -5.699  -5.303
   53    HG   LEU   7           HG       LEU   7  -4.389  -6.664  -6.857
   54   1HD1  LEU   7          1HD1      LEU   7  -4.535  -4.931  -8.299
   55   2HD1  LEU   7          2HD1      LEU   7  -2.900  -4.334  -7.932
   56   3HD1  LEU   7          3HD1      LEU   7  -3.117  -5.717  -9.032
   57   1HD2  LEU   7          1HD2      LEU   7  -2.145  -7.351  -8.238
   58   2HD2  LEU   7          2HD2      LEU   7  -1.477  -7.059  -6.614
   59   3HD2  LEU   7          3HD2      LEU   7  -2.790  -8.240  -6.836
   60    H    CYS   8           H        CYS   8  -4.338  -6.964  -2.286
   61    HA   CYS   8           HA       CYS   8  -3.204  -4.784  -0.726
   62   1HB   CYS   8          1HB       CYS   8  -4.603  -7.298   0.211
   63   2HB   CYS   8          2HB       CYS   8  -4.081  -5.963   1.220
   64    H    CYS   9           H        CYS   9  -1.600  -5.454   1.036
   65    HA   CYS   9           HA       CYS   9   0.229  -7.404  -0.118
   66   1HB   CYS   9          1HB       CYS   9   0.530  -4.974   1.567
   67   2HB   CYS   9          2HB       CYS   9   1.660  -6.281   1.863
   68    H    ASP  10           H        ASP  10   1.022  -9.176   1.163
   69    HA   ASP  10           HA       ASP  10  -0.811  -9.916   3.238
   70   1HB   ASP  10          1HB       ASP  10  -0.340 -11.764   1.888
   71   2HB   ASP  10          2HB       ASP  10   1.313 -11.263   1.592
   72    H    GLY  11           H        GLY  11   2.223  -8.316   2.881
   73   1HA   GLY  11          1HA       GLY  11   3.481  -7.377   4.552
   74   2HA   GLY  11          2HA       GLY  11   2.697  -8.396   5.744
   75    H    ALA  12           H        ALA  12   3.168 -10.857   3.944
   76    HA   ALA  12           HA       ALA  12   6.052 -11.067   3.961
   77   1HB   ALA  12          1HB       ALA  12   6.067 -12.996   5.474
   78   2HB   ALA  12          2HB       ALA  12   5.392 -11.574   6.305
   79   3HB   ALA  12          3HB       ALA  12   4.308 -12.853   5.705
   80    H    LEU  13           H        LEU  13   5.211 -11.063   1.630
   81    HA   LEU  13           HA       LEU  13   5.399 -13.595   0.579
   82   1HB   LEU  13          1HB       LEU  13   3.340 -14.266   1.439
   83   2HB   LEU  13          2HB       LEU  13   2.575 -12.726   1.101
   84    HG   LEU  13           HG       LEU  13   3.252 -13.562  -1.427
   85   1HD1  LEU  13          1HD1      LEU  13   3.252 -15.792  -1.706
   86   2HD1  LEU  13          2HD1      LEU  13   3.754 -15.816   0.003
   87   3HD1  LEU  13          3HD1      LEU  13   2.044 -16.063  -0.427
   88   1HD2  LEU  13          1HD2      LEU  13   0.671 -14.572  -0.977
   89   2HD2  LEU  13          2HD2      LEU  13   0.871 -13.227   0.172
   90   3HD2  LEU  13          3HD2      LEU  13   1.122 -12.955  -1.569
   91    H    LYS  14           H        LYS  14   2.826 -11.458  -0.639
   92    HA   LYS  14           HA       LYS  14   4.408  -9.648  -2.019
   93   1HB   LYS  14          1HB       LYS  14   4.318 -10.571  -4.313
   94   2HB   LYS  14          2HB       LYS  14   5.363 -11.485  -3.244
   95   1HG   LYS  14          1HG       LYS  14   4.142 -13.370  -3.562
   96   2HG   LYS  14          2HG       LYS  14   2.671 -12.559  -3.065
   97   1HD   LYS  14          1HD       LYS  14   3.521 -11.703  -5.749
   98   2HD   LYS  14          2HD       LYS  14   3.301 -13.439  -5.668
   99   1HE   LYS  14          1HE       LYS  14   1.077 -12.475  -4.268
  100   2HE   LYS  14          2HE       LYS  14   1.278 -11.281  -5.536
  101   1HZ   LYS  14          1HZ       LYS  14   0.798 -14.175  -5.846
  102   2HZ   LYS  14          2HZ       LYS  14  -0.004 -12.938  -6.538
  103    H    ALA  15           H        ALA  15   3.079  -8.024  -2.724
  104    HA   ALA  15           HA       ALA  15   0.475  -7.905  -2.000
  105   1HB   ALA  15          1HB       ALA  15   2.313  -6.434  -3.734
  106   2HB   ALA  15          2HB       ALA  15   0.635  -6.343  -4.323
  107   3HB   ALA  15          3HB       ALA  15   1.027  -5.825  -2.666
  108    H    VAL  16           H        VAL  16  -1.392  -8.874  -2.619
  109    HA   VAL  16           HA       VAL  16  -1.561  -9.836  -5.374
  110    HB   VAL  16           HB       VAL  16  -0.793 -11.681  -3.908
  111   1HG1  VAL  16          1HG1      VAL  16  -1.863 -11.015  -1.817
  112   2HG1  VAL  16          2HG1      VAL  16  -3.471 -11.283  -2.532
  113   3HG1  VAL  16          3HG1      VAL  16  -2.370 -12.657  -2.277
  114   1HG2  VAL  16          1HG2      VAL  16  -2.253 -13.317  -4.812
  115   2HG2  VAL  16          2HG2      VAL  16  -3.626 -12.185  -4.850
  116   3HG2  VAL  16          3HG2      VAL  16  -2.262 -11.966  -5.972
  117    H    SER  17           H        SER  17  -3.892 -10.356  -5.960
  118    HA   SER  17           HA       SER  17  -5.470  -8.191  -5.079
  119   1HB   SER  17          1HB       SER  17  -7.226  -9.599  -6.546
  120   2HB   SER  17          2HB       SER  17  -5.956  -8.644  -7.285
  121    HG   SER  17           HG       SER  17  -4.810 -10.451  -7.800
  122    H    ALA  18           H        ALA  18  -7.186  -8.167  -3.609
  123    HA   ALA  18           HA       ALA  18  -8.104 -10.744  -2.586
  124   1HB   ALA  18          1HB       ALA  18  -6.257  -9.105  -1.228
  125   2HB   ALA  18          2HB       ALA  18  -7.826  -8.783  -0.453
  126   3HB   ALA  18          3HB       ALA  18  -7.205 -10.449  -0.545
  127    H    CYS  19           H        CYS  19 -10.209 -10.549  -1.442
  128    HA   CYS  19           HA       CYS  19 -11.683  -8.268  -2.529
  129   1HB   CYS  19          1HB       CYS  19 -12.332 -10.544  -3.307
  130   2HB   CYS  19          2HB       CYS  19 -12.752 -10.960  -1.658
  131    H    LEU  20           H        LEU  20 -11.879  -6.694  -0.963
  132    HA   LEU  20           HA       LEU  20 -12.640  -7.616   1.716
  133   1HB   LEU  20          1HB       LEU  20 -10.728  -6.872   2.512
  134   2HB   LEU  20          2HB       LEU  20 -10.245  -6.254   0.945
  135    HG   LEU  20           HG       LEU  20 -12.091  -4.689   2.749
  136   1HD1  LEU  20          1HD1      LEU  20  -9.178  -5.151   3.041
  137   2HD1  LEU  20          2HD1      LEU  20  -9.724  -3.460   3.157
  138   3HD1  LEU  20          3HD1      LEU  20 -10.404  -4.692   4.247
  139   1HD2  LEU  20          1HD2      LEU  20 -10.138  -3.692   0.667
  140   2HD2  LEU  20          2HD2      LEU  20 -11.829  -4.114   0.300
  141   3HD2  LEU  20          3HD2      LEU  20 -11.468  -2.807   1.454
  142    H    HIS  21           H        HIS  21 -13.884  -5.966   2.954
  143    HA   HIS  21           HA       HIS  21 -15.613  -4.556   1.100
  144   1HB   HIS  21          1HB       HIS  21 -16.070  -4.813   4.064
  145   2HB   HIS  21          2HB       HIS  21 -17.245  -4.582   2.785
  146    HD1  HIS  21           1HD      HIS  21 -17.579  -6.742   1.125
  147    HD2  HIS  21           2HD      HIS  21 -15.664  -7.437   4.792
  148    HE1  HIS  21           1HE      HIS  21 -17.693  -9.260   1.525
  149    H    GLU  22           H        GLU  22 -16.506  -2.355   2.044
  150    HA   GLU  22           HA       GLU  22 -14.278  -0.665   2.169
  151   1HB   GLU  22          1HB       GLU  22 -17.017  -0.415   1.598
  152   2HB   GLU  22          2HB       GLU  22 -16.809   0.553   3.043
  153   1HG   GLU  22          1HG       GLU  22 -14.567   1.224   1.483
  154   2HG   GLU  22          2HG       GLU  22 -15.850   1.059   0.300
  155    H    SER  23           H        SER  23 -16.407  -2.164   4.587
  156    HA   SER  23           HA       SER  23 -15.558  -0.423   6.664
  157   1HB   SER  23          1HB       SER  23 -17.567  -2.453   6.276
  158   2HB   SER  23          2HB       SER  23 -16.638  -2.886   7.698
  159    HG   SER  23           HG       SER  23 -17.955  -0.353   7.206
  160    H    GLU  24           H        GLU  24 -13.848  -2.593   4.911
  161    HA   GLU  24           HA       GLU  24 -12.334  -3.443   7.255
  162   1HB   GLU  24          1HB       GLU  24 -13.632  -5.261   5.879
  163   2HB   GLU  24          2HB       GLU  24 -12.384  -5.031   4.671
  164   1HG   GLU  24          1HG       GLU  24 -10.990  -5.245   7.138
  165   2HG   GLU  24          2HG       GLU  24 -12.243  -6.469   7.215
  166    H    SER  25           H        SER  25  -9.973  -3.594   6.930
  167    HA   SER  25           HA       SER  25  -9.073  -2.211   4.541
  168   1HB   SER  25          1HB       SER  25  -9.206  -0.980   7.058
  169   2HB   SER  25          2HB       SER  25  -7.531  -1.482   6.944
  170    HG   SER  25           HG       SER  25  -8.923   0.016   4.890
  171    H    CYS  26           H        CYS  26  -7.278  -3.195   3.627
  172    HA   CYS  26           HA       CYS  26  -6.060  -5.311   5.234
  173   1HB   CYS  26          1HB       CYS  26  -5.217  -6.010   2.864
  174   2HB   CYS  26          2HB       CYS  26  -6.835  -6.415   3.403
  175    H    LEU  27           H        LEU  27  -3.617  -5.680   4.289
  176    HA   LEU  27           HA       LEU  27  -2.224  -3.327   5.010
  177   1HB   LEU  27          1HB       LEU  27  -1.693  -5.959   5.115
  178   2HB   LEU  27          2HB       LEU  27  -0.820  -5.557   3.649
  179    HG   LEU  27           HG       LEU  27   0.304  -3.693   5.018
  180   1HD1  LEU  27          1HD1      LEU  27  -0.925  -5.311   7.261
  181   2HD1  LEU  27          2HD1      LEU  27   0.437  -4.184   7.470
  182   3HD1  LEU  27          3HD1      LEU  27  -1.142  -3.578   6.915
  183   1HD2  LEU  27          1HD2      LEU  27   1.040  -6.416   6.043
  184   2HD2  LEU  27          2HD2      LEU  27   1.194  -6.040   4.310
  185   3HD2  LEU  27          3HD2      LEU  27   2.084  -5.076   5.513
  186    H    VAL  28           H        VAL  28  -3.218  -1.821   3.433
  187    HA   VAL  28           HA       VAL  28  -2.668  -2.212   0.665
  188    HB   VAL  28           HB       VAL  28  -4.474  -0.794   2.049
  189   1HG1  VAL  28          1HG1      VAL  28  -2.388   0.765   2.617
  190   2HG1  VAL  28          2HG1      VAL  28  -2.808   1.474   1.039
  191   3HG1  VAL  28          3HG1      VAL  28  -4.017   1.432   2.345
  192   1HG2  VAL  28          1HG2      VAL  28  -5.301  -0.293   0.007
  193   2HG2  VAL  28          2HG2      VAL  28  -3.794   0.492  -0.527
  194   3HG2  VAL  28          3HG2      VAL  28  -3.942  -1.281  -0.580
  195    HA   PRO  29           HA       PRO  29   1.310  -0.525   0.562
  196   1HB   PRO  29          1HB       PRO  29   1.487   0.257  -2.050
  197   2HB   PRO  29          2HB       PRO  29   1.706  -1.402  -1.530
  198   1HG   PRO  29          1HG       PRO  29  -0.614  -0.179  -2.896
  199   2HG   PRO  29          2HG       PRO  29  -0.193  -1.875  -2.751
  200   1HD   PRO  29          1HD       PRO  29  -2.216  -0.475  -1.276
  201   2HD   PRO  29          2HD       PRO  29  -1.717  -2.140  -1.050
  202    H    GLY  30           H        GLY  30   2.514   1.529  -0.704
  203   1HA   GLY  30          1HA       GLY  30   0.855   3.879  -0.170
  204   2HA   GLY  30          2HA       GLY  30   2.295   3.666   0.806
  205    H    ASP  31           H        ASP  31   1.442   5.634  -1.449
  206    HA   ASP  31           HA       ASP  31   3.411   5.038  -3.445
  207   1HB   ASP  31          1HB       ASP  31   1.609   7.478  -3.068
  208   2HB   ASP  31          2HB       ASP  31   2.587   7.162  -4.488
  209    H    CYS  32           H        CYS  32   5.540   5.502  -2.831
  210    HA   CYS  32           HA       CYS  32   6.000   7.692  -1.002
  211   1HB   CYS  32          1HB       CYS  32   7.642   5.415  -2.048
  212   2HB   CYS  32          2HB       CYS  32   8.451   6.822  -1.387
  213    H    CYS  33           H        CYS  33   6.487   9.728  -1.751
  214    HA   CYS  33           HA       CYS  33   7.269   9.929  -4.558
  215   1HB   CYS  33          1HB       CYS  33   5.769  11.720  -2.692
  216   2HB   CYS  33          2HB       CYS  33   6.687  12.446  -3.996
  217    H    ARG  34           H        ARG  34   9.164  11.149  -5.117
  218    HA   ARG  34           HA       ARG  34  10.651  12.299  -2.955
  219   1HB   ARG  34          1HB       ARG  34  11.674  10.181  -2.746
  220   2HB   ARG  34          2HB       ARG  34  11.501   9.812  -4.451
  221   1HG   ARG  34          1HG       ARG  34  13.880  10.304  -3.764
  222   2HG   ARG  34          2HG       ARG  34  13.298  11.336  -5.055
  223   1HD   ARG  34          1HD       ARG  34  13.943  13.104  -3.771
  224   2HD   ARG  34          2HD       ARG  34  12.561  12.754  -2.752
  225    HE   ARG  34           HE       ARG  34  14.358  11.034  -1.693
  226   1HH1  ARG  34          1HH1      ARG  34  14.783  14.418  -2.652
  227   2HH1  ARG  34          2HH1      ARG  34  16.020  14.725  -1.478
  228   1HH2  ARG  34          1HH2      ARG  34  16.713  12.957  -0.015
  229    H    GLY  35           H        GLY  35  11.631  14.176  -3.697
  230   1HA   GLY  35          1HA       GLY  35  12.158  15.824  -5.142
  231   2HA   GLY  35          2HA       GLY  35  13.038  14.570  -5.993
  232    H    LYS  36           H        LYS  36  12.254  13.732  -7.951
  233    HA   LYS  36           HA       LYS  36   9.635  14.752  -8.792
  234   1HB   LYS  36          1HB       LYS  36  10.542  15.205 -11.015
  235   2HB   LYS  36          2HB       LYS  36  11.347  16.167  -9.792
  236   1HG   LYS  36          1HG       LYS  36  13.299  14.726  -9.806
  237   2HG   LYS  36          2HG       LYS  36  12.475  13.503 -10.751
  238   1HD   LYS  36          1HD       LYS  36  13.778  14.603 -12.379
  239   2HD   LYS  36          2HD       LYS  36  12.213  15.368 -12.573
  240   1HE   LYS  36          1HE       LYS  36  12.910  17.381 -11.602
  241   2HE   LYS  36          2HE       LYS  36  14.115  16.607 -10.593
  242   1HZ   LYS  36          1HZ       LYS  36  14.326  17.317 -13.441
  243   2HZ   LYS  36          2HZ       LYS  36  15.394  17.598 -12.243
  244    H    SER  37           H        SER  37   9.684  12.344  -7.602
  245    HA   SER  37           HA       SER  37   9.093  10.646  -9.807
  246   1HB   SER  37          1HB       SER  37  11.491  10.161  -8.043
  247   2HB   SER  37          2HB       SER  37  10.560   8.774  -8.573
  248    HG   SER  37           HG       SER  37  10.808   9.973 -10.814
  249    H    ARG  38           H        ARG  38   7.915   8.655  -9.064
  250    HA   ARG  38           HA       ARG  38   7.246   8.642  -6.274
  251   1HB   ARG  38          1HB       ARG  38   5.540  10.174  -7.100
  252   2HB   ARG  38          2HB       ARG  38   5.205   9.157  -8.486
  253   1HG   ARG  38          1HG       ARG  38   4.885   7.902  -5.771
  254   2HG   ARG  38          2HG       ARG  38   3.693   9.101  -6.235
  255   1HD   ARG  38          1HD       ARG  38   4.387   6.524  -7.714
  256   2HD   ARG  38          2HD       ARG  38   2.863   6.931  -6.951
  257    HE   ARG  38           HE       ARG  38   3.832   7.893  -9.559
  258   1HH1  ARG  38          1HH1      ARG  38   1.491   8.377  -6.944
  259   2HH1  ARG  38          2HH1      ARG  38   0.381   9.264  -7.934
  260   1HH2  ARG  38          1HH2      ARG  38   0.918   9.657 -10.237
  261    H    LEU  39           H        LEU  39   6.364   6.570  -5.592
  262    HA   LEU  39           HA       LEU  39   5.855   4.588  -7.622
  263   1HB   LEU  39          1HB       LEU  39   7.545   3.033  -6.841
  264   2HB   LEU  39          2HB       LEU  39   8.254   4.480  -7.528
  265    HG   LEU  39           HG       LEU  39   8.593   5.341  -5.183
  266   1HD1  LEU  39          1HD1      LEU  39   8.690   3.164  -3.580
  267   2HD1  LEU  39          2HD1      LEU  39   7.318   4.296  -3.648
  268   3HD1  LEU  39          3HD1      LEU  39   7.262   2.773  -4.567
  269   1HD2  LEU  39          1HD2      LEU  39  10.679   4.556  -5.283
  270   2HD2  LEU  39          2HD2      LEU  39  10.147   2.863  -5.138
  271   3HD2  LEU  39          3HD2      LEU  39  10.143   3.663  -6.728
  272    H    THR  40           H        THR  40   4.749   2.723  -6.761
  273    HA   THR  40           HA       THR  40   3.757   3.194  -4.026
  274    HB   THR  40           HB       THR  40   2.345   3.231  -6.432
  275    HG1  THR  40           1HG      THR  40   0.574   2.694  -4.708
  276   1HG2  THR  40          1HG2      THR  40   2.587   0.729  -6.655
  277   2HG2  THR  40          2HG2      THR  40   1.894   0.546  -5.026
  278   3HG2  THR  40          3HG2      THR  40   0.903   1.215  -6.344
  279    H    LEU  41           H        LEU  41   4.571   1.822  -2.583
  280    HA   LEU  41           HA       LEU  41   4.682  -0.984  -3.340
  281   1HB   LEU  41          1HB       LEU  41   7.054   0.376  -2.069
  282   2HB   LEU  41          2HB       LEU  41   6.926  -1.291  -2.595
  283    HG   LEU  41           HG       LEU  41   6.597   0.902  -4.617
  284   1HD1  LEU  41          1HD1      LEU  41   8.729   1.125  -3.043
  285   2HD1  LEU  41          2HD1      LEU  41   9.350  -0.135  -4.135
  286   3HD1  LEU  41          3HD1      LEU  41   8.806   1.425  -4.796
  287   1HD2  LEU  41          1HD2      LEU  41   7.676  -1.927  -4.710
  288   2HD2  LEU  41          2HD2      LEU  41   6.132  -1.333  -5.367
  289   3HD2  LEU  41          3HD2      LEU  41   7.670  -0.798  -6.086
  290    H    CYS  42           H        CYS  42   5.661  -2.106  -1.067
  291    HA   CYS  42           HA       CYS  42   3.826  -1.041   0.951
  292   1HB   CYS  42          1HB       CYS  42   4.776  -3.879   0.511
  293   2HB   CYS  42          2HB       CYS  42   3.789  -3.352   1.860
  294    H    SER  43           H        SER  43   4.785  -0.233   2.794
  295    HA   SER  43           HA       SER  43   7.220  -1.401   3.710
  296   1HB   SER  43          1HB       SER  43   8.171   0.192   2.139
  297   2HB   SER  43          2HB       SER  43   7.130   1.476   2.719
  298    HG   SER  43           HG       SER  43   9.558   0.588   3.721
  299    H    TYR  44           H        TYR  44   6.015  -1.904   5.609
  300    HA   TYR  44           HA       TYR  44   4.914   0.402   7.053
  301   1HB   TYR  44          1HB       TYR  44   4.618  -2.539   7.794
  302   2HB   TYR  44          2HB       TYR  44   3.449  -1.251   8.014
  303    HD1  TYR  44           1HD      TYR  44   1.953  -0.579   6.196
  304    HD2  TYR  44           2HD      TYR  44   4.816  -3.711   5.649
  305    HE1  TYR  44           1HE      TYR  44   0.753  -1.316   4.079
  306    HE2  TYR  44           2HE      TYR  44   3.607  -4.437   3.534
  307    HH   TYR  44           HH       TYR  44   0.853  -2.584   2.306
  308    H    GLY  45           H        GLY  45   5.122   0.242   9.517
  309   1HA   GLY  45          1HA       GLY  45   7.648  -1.039  10.321
  310   2HA   GLY  45          2HA       GLY  45   7.427   0.681  10.570
  311    H    GLU  46           H        GLU  46   7.676  -1.717  12.483
  312    HA   GLU  46           HA       GLU  46   5.291  -2.293  13.661
  313   1HB   GLU  46          1HB       GLU  46   8.057  -1.974  14.901
  314   2HB   GLU  46          2HB       GLU  46   6.695  -2.673  15.755
  315   1HG   GLU  46          1HG       GLU  46   7.833  -3.717  13.117
  316   2HG   GLU  46          2HG       GLU  46   8.147  -4.416  14.693
  317    H    GLY  47           H        GLY  47   4.198  -1.459  15.589
  318   1HA   GLY  47          1HA       GLY  47   3.297   0.182  16.829
  319   2HA   GLY  47          2HA       GLY  47   4.902   0.878  16.932
  320    H    GLY  48           H        GLY  48   1.939   0.704  14.887
  321   1HA   GLY  48          1HA       GLY  48   1.242   3.114  14.382
  322   2HA   GLY  48          2HA       GLY  48   2.775   3.188  13.535
  323    H    ASN  49           H        ASN  49  -0.545   2.392  13.281
  324    HA   ASN  49           HA       ASN  49  -0.165   0.501  11.163
  325   1HB   ASN  49          1HB       ASN  49  -2.753   1.870  12.052
  326   2HB   ASN  49          2HB       ASN  49  -2.622   0.392  11.120
  327   1HD2  ASN  49          1HD2      ASN  49  -4.029   0.713  13.545
  328   2HD2  ASN  49          2HD2      ASN  49  -3.325  -0.311  14.752
  329    H    GLY  50           H        GLY  50   1.130   2.210   9.877
  330   1HA   GLY  50          1HA       GLY  50  -0.610   3.515   7.991
  331   2HA   GLY  50          2HA       GLY  50   0.270   4.636   9.010
  332    H    PHE  51           H        PHE  51   0.441   3.775   6.021
  333    HA   PHE  51           HA       PHE  51   2.547   2.350   5.305
  334   1HB   PHE  51          1HB       PHE  51   1.039   3.906   3.920
  335   2HB   PHE  51          2HB       PHE  51   1.996   5.264   4.477
  336    HD1  PHE  51           1HD      PHE  51   3.035   6.073   2.562
  337    HD2  PHE  51           2HD      PHE  51   3.140   1.904   3.346
  338    HE1  PHE  51           1HE      PHE  51   4.613   5.751   0.637
  339    HE2  PHE  51           2HE      PHE  51   4.718   1.582   1.421
  340    HZ   PHE  51           HZ       PHE  51   5.435   3.510   0.089
  341    H    GLN  52           H        GLN  52   4.844   2.665   4.949
  342    HA   GLN  52           HA       GLN  52   5.968   4.823   6.540
  343   1HB   GLN  52          1HB       GLN  52   5.956   2.163   7.384
  344   2HB   GLN  52          2HB       GLN  52   7.536   2.322   6.642
  345   1HG   GLN  52          1HG       GLN  52   6.765   4.620   8.373
  346   2HG   GLN  52          2HG       GLN  52   6.920   3.098   9.228
  347   1HE2  GLN  52          1HE2      GLN  52   8.834   2.633   9.972
  348   2HE2  GLN  52          2HE2      GLN  52  10.363   3.172   9.361
  349    H    CYS  53           H        CYS  53   7.037   6.076   5.068
  350    HA   CYS  53           HA       CYS  53   8.059   4.869   2.678
  351   1HB   CYS  53          1HB       CYS  53   7.669   7.636   3.701
  352   2HB   CYS  53          2HB       CYS  53   8.935   7.396   2.511
  353    HA   PRO  54           HA       PRO  54  12.043   4.325   4.390
  354   1HB   PRO  54          1HB       PRO  54  13.418   3.696   2.114
  355   2HB   PRO  54          2HB       PRO  54  12.469   2.530   3.014
  356   1HG   PRO  54          1HG       PRO  54  11.829   3.861   0.452
  357   2HG   PRO  54          2HG       PRO  54  11.125   2.413   1.142
  358   1HD   PRO  54          1HD       PRO  54   9.953   5.030   1.083
  359   2HD   PRO  54          2HD       PRO  54   9.302   3.609   1.873
  360    H    THR  55           H        THR  55  14.454   4.972   3.978
  361    HA   THR  55           HA       THR  55  14.458   7.776   4.105
  362    HB   THR  55           HB       THR  55  16.110   5.956   5.039
  363    HG1  THR  55           1HG      THR  55  16.305   8.374   5.035
  364   1HG2  THR  55          1HG2      THR  55  16.591   5.355   2.414
  365   2HG2  THR  55          2HG2      THR  55  17.785   6.655   2.646
  366   3HG2  THR  55          3HG2      THR  55  17.838   5.204   3.676
  367    H    GLY  56           H        GLY  56  14.636   9.375   2.640
  368   1HA   GLY  56          1HA       GLY  56  15.318  10.320   0.640
  369   2HA   GLY  56          2HA       GLY  56  15.581   8.730  -0.048
  370    H    TYR  57           H        TYR  57  12.662   8.461   1.557
  371    HA   TYR  57           HA       TYR  57  11.156   9.358  -0.808
  372   1HB   TYR  57          1HB       TYR  57  11.123   6.856   0.964
  373   2HB   TYR  57          2HB       TYR  57   9.682   7.299   0.071
  374    HD1  TYR  57           1HD      TYR  57  12.775   5.540  -0.052
  375    HD2  TYR  57           2HD      TYR  57   9.953   7.613  -2.510
  376    HE1  TYR  57           1HE      TYR  57  13.671   4.340  -2.106
  377    HE2  TYR  57           2HE      TYR  57  10.859   6.406  -4.555
  378    HH   TYR  57           HH       TYR  57  12.868   5.327  -5.264
  379    H    ARG  58           H        ARG  58   8.926  10.008  -0.409
  380    HA   ARG  58           HA       ARG  58   8.239  10.349   2.360
  381   1HB   ARG  58          1HB       ARG  58   7.606  12.820   1.815
  382   2HB   ARG  58          2HB       ARG  58   9.300  12.465   2.087
  383   1HG   ARG  58          1HG       ARG  58   9.690  12.317  -0.362
  384   2HG   ARG  58          2HG       ARG  58   7.986  12.588  -0.669
  385   1HD   ARG  58          1HD       ARG  58   8.760  14.770  -0.905
  386   2HD   ARG  58          2HD       ARG  58   8.395  14.787   0.809
  387    HE   ARG  58           HE       ARG  58  11.050  13.843   0.577
  388   1HH1  ARG  58          1HH1      ARG  58   9.267  16.815  -0.159
  389   2HH1  ARG  58          2HH1      ARG  58  10.646  17.842   0.052
  390   1HH2  ARG  58          1HH2      ARG  58  12.754  16.870   0.649
  391    H    GLN  59           H        GLN  59   6.080   9.822   2.581
  392    HA   GLN  59           HA       GLN  59   4.526   8.855   0.699
  393   1HB   GLN  59          1HB       GLN  59   4.043   9.063   3.192
  394   2HB   GLN  59          2HB       GLN  59   3.437  10.678   2.887
  395   1HG   GLN  59          1HG       GLN  59   2.154   9.041   0.954
  396   2HG   GLN  59          2HG       GLN  59   2.129   8.097   2.429
  397   1HE2  GLN  59          1HE2      GLN  59   1.487   9.292   4.432
  398   2HE2  GLN  59          2HE2      GLN  59   0.171  10.413   4.328
  399    H    CYS  60           H        CYS  60   3.036   9.533  -0.897
  400    HA   CYS  60           HA       CYS  60   3.542  12.154  -1.913
  401   1HB   CYS  60          1HB       CYS  60   1.570  10.096  -2.918
  402   2HB   CYS  60          2HB       CYS  60   2.174  11.493  -3.785
  Start of MODEL   15
    1   1H    ASP   1          1H        ASP   1 -23.579 -11.149   1.262
    2    HA   ASP   1           HA       ASP   1 -21.443 -11.223   1.996
    3   1HB   ASP   1          1HB       ASP   1 -20.935 -12.310  -0.778
    4   2HB   ASP   1          2HB       ASP   1 -19.599 -11.565   0.078
    5    H    ARG   2           H        ARG   2 -21.104 -10.369  -1.527
    6    HA   ARG   2           HA       ARG   2 -20.637  -8.529  -2.556
    7   1HB   ARG   2          1HB       ARG   2 -21.831  -6.801  -0.372
    8   2HB   ARG   2          2HB       ARG   2 -21.953  -6.609  -2.110
    9   1HG   ARG   2          1HG       ARG   2 -23.275  -8.854  -0.513
   10   2HG   ARG   2          2HG       ARG   2 -24.095  -7.408  -1.064
   11   1HD   ARG   2          1HD       ARG   2 -24.376  -8.264  -3.155
   12   2HD   ARG   2          2HD       ARG   2 -22.676  -8.661  -3.292
   13    HE   ARG   2           HE       ARG   2 -23.670 -10.604  -1.564
   14   1HH1  ARG   2          1HH1      ARG   2 -24.506  -9.531  -4.836
   15   2HH1  ARG   2          2HH1      ARG   2 -25.093 -11.084  -5.329
   16   1HH2  ARG   2          1HH2      ARG   2 -25.046 -12.905  -3.772
   17    H    CYS   3           H        CYS   3 -19.250  -6.495  -2.533
   18    HA   CYS   3           HA       CYS   3 -18.024  -5.376  -0.439
   19   1HB   CYS   3          1HB       CYS   3 -15.785  -6.611  -0.386
   20   2HB   CYS   3          2HB       CYS   3 -17.126  -7.267   0.532
   21    H    ARG   4           H        ARG   4 -15.774  -4.398  -1.153
   22    HA   ARG   4           HA       ARG   4 -15.953  -4.043  -4.032
   23   1HB   ARG   4          1HB       ARG   4 -15.400  -2.227  -1.742
   24   2HB   ARG   4          2HB       ARG   4 -14.300  -2.003  -3.087
   25   1HG   ARG   4          1HG       ARG   4 -16.353  -1.888  -4.621
   26   2HG   ARG   4          2HG       ARG   4 -17.347  -1.867  -3.178
   27   1HD   ARG   4          1HD       ARG   4 -15.077   0.125  -3.438
   28   2HD   ARG   4          2HD       ARG   4 -16.576   0.418  -4.297
   29    HE   ARG   4           HE       ARG   4 -17.256  -0.257  -1.617
   30   1HH1  ARG   4          1HH1      ARG   4 -15.608   2.351  -3.361
   31   2HH1  ARG   4          2HH1      ARG   4 -16.015   3.559  -2.189
   32   1HH2  ARG   4          1HH2      ARG   4 -17.298   2.940  -0.262
   33    H    TYR   5           H        TYR   5 -14.553  -5.660  -4.824
   34    HA   TYR   5           HA       TYR   5 -12.262  -6.583  -3.635
   35   1HB   TYR   5          1HB       TYR   5 -12.967  -6.064  -6.592
   36   2HB   TYR   5          2HB       TYR   5 -11.718  -7.180  -6.074
   37    HD1  TYR   5           1HD      TYR   5 -12.365  -9.256  -4.789
   38    HD2  TYR   5           2HD      TYR   5 -15.267  -6.707  -6.631
   39    HE1  TYR   5           1HE      TYR   5 -14.091 -11.117  -4.662
   40    HE2  TYR   5           2HE      TYR   5 -16.984  -8.579  -6.497
   41    HH   TYR   5           HH       TYR   5 -17.104 -10.785  -4.703
   42    H    THR   6           H        THR   6 -10.169  -5.901  -3.403
   43    HA   THR   6           HA       THR   6  -9.252  -3.677  -5.053
   44    HB   THR   6           HB       THR   6  -8.882  -3.547  -2.043
   45    HG1  THR   6           1HG      THR   6 -11.069  -2.458  -3.664
   46   1HG2  THR   6          1HG2      THR   6  -7.686  -1.821  -3.244
   47   2HG2  THR   6          2HG2      THR   6  -9.050  -1.559  -4.357
   48   3HG2  THR   6          3HG2      THR   6  -9.177  -1.046  -2.657
   49    H    LEU   7           H        LEU   7  -6.862  -3.311  -4.789
   50    HA   LEU   7           HA       LEU   7  -5.625  -5.940  -4.518
   51   1HB   LEU   7          1HB       LEU   7  -5.087  -3.478  -6.090
   52   2HB   LEU   7          2HB       LEU   7  -3.696  -4.409  -5.574
   53    HG   LEU   7           HG       LEU   7  -4.654  -4.894  -7.886
   54   1HD1  LEU   7          1HD1      LEU   7  -4.253  -7.332  -7.678
   55   2HD1  LEU   7          2HD1      LEU   7  -3.009  -6.340  -6.882
   56   3HD1  LEU   7          3HD1      LEU   7  -4.257  -7.153  -5.908
   57   1HD2  LEU   7          1HD2      LEU   7  -6.829  -6.119  -6.183
   58   2HD2  LEU   7          2HD2      LEU   7  -6.987  -4.939  -7.506
   59   3HD2  LEU   7          3HD2      LEU   7  -6.512  -6.617  -7.862
   60    H    CYS   8           H        CYS   8  -4.647  -6.444  -2.640
   61    HA   CYS   8           HA       CYS   8  -3.422  -4.222  -1.176
   62   1HB   CYS   8          1HB       CYS   8  -4.930  -6.566   0.000
   63   2HB   CYS   8          2HB       CYS   8  -3.998  -5.405   0.925
   64    H    CYS   9           H        CYS   9  -1.651  -5.118   0.376
   65    HA   CYS   9           HA       CYS   9  -0.054  -6.941  -1.169
   66   1HB   CYS   9          1HB       CYS   9   0.412  -5.077   1.112
   67   2HB   CYS   9          2HB       CYS   9   1.505  -6.435   0.931
   68    H    ASP  10           H        ASP  10   1.027  -8.842  -0.049
   69    HA   ASP  10           HA       ASP  10  -0.936 -10.098   1.668
   70   1HB   ASP  10          1HB       ASP  10   0.570 -10.992  -0.533
   71   2HB   ASP  10          2HB       ASP  10   1.391 -11.717   0.835
   72    H    GLY  11           H        GLY  11   0.634  -8.070   2.901
   73   1HA   GLY  11          1HA       GLY  11   1.604  -7.990   4.996
   74   2HA   GLY  11          2HA       GLY  11   2.144  -9.649   4.835
   75    H    ALA  12           H        ALA  12   3.144  -9.002   1.973
   76    HA   ALA  12           HA       ALA  12   5.525  -7.481   2.787
   77   1HB   ALA  12          1HB       ALA  12   5.830 -10.005   2.626
   78   2HB   ALA  12          2HB       ALA  12   5.487  -9.852   0.886
   79   3HB   ALA  12          3HB       ALA  12   6.904  -9.036   1.589
   80    H    LEU  13           H        LEU  13   6.214  -8.319  -0.245
   81    HA   LEU  13           HA       LEU  13   5.019  -5.885  -1.299
   82   1HB   LEU  13          1HB       LEU  13   7.355  -5.979  -1.553
   83   2HB   LEU  13          2HB       LEU  13   7.321  -7.637  -2.119
   84    HG   LEU  13           HG       LEU  13   7.770  -5.763  -3.819
   85   1HD1  LEU  13          1HD1      LEU  13   7.267  -8.166  -4.329
   86   2HD1  LEU  13          2HD1      LEU  13   5.558  -7.706  -4.516
   87   3HD1  LEU  13          3HD1      LEU  13   6.789  -7.014  -5.599
   88   1HD2  LEU  13          1HD2      LEU  13   5.471  -4.674  -2.842
   89   2HD2  LEU  13          2HD2      LEU  13   6.189  -4.293  -4.425
   90   3HD2  LEU  13          3HD2      LEU  13   4.878  -5.493  -4.306
   91    H    LYS  14           H        LYS  14   4.963  -9.428  -1.625
   92    HA   LYS  14           HA       LYS  14   3.811  -9.693  -4.093
   93   1HB   LYS  14          1HB       LYS  14   2.809 -11.796  -3.127
   94   2HB   LYS  14          2HB       LYS  14   4.542 -11.623  -2.939
   95   1HG   LYS  14          1HG       LYS  14   3.594 -10.385  -0.635
   96   2HG   LYS  14          2HG       LYS  14   2.414 -11.658  -0.869
   97   1HD   LYS  14          1HD       LYS  14   4.257 -12.502   0.518
   98   2HD   LYS  14          2HD       LYS  14   4.252 -13.345  -1.018
   99   1HE   LYS  14          1HE       LYS  14   5.885 -11.135  -1.544
  100   2HE   LYS  14          2HE       LYS  14   6.289 -11.521   0.116
  101   1HZ   LYS  14          1HZ       LYS  14   6.135 -13.915  -1.380
  102   2HZ   LYS  14          2HZ       LYS  14   7.125 -12.885  -2.159
  103    H    ALA  15           H        ALA  15   2.255  -8.295  -4.815
  104    HA   ALA  15           HA       ALA  15   0.089  -7.571  -3.048
  105   1HB   ALA  15          1HB       ALA  15   0.673  -6.875  -5.956
  106   2HB   ALA  15          2HB       ALA  15  -0.568  -6.117  -4.928
  107   3HB   ALA  15          3HB       ALA  15   1.157  -5.913  -4.540
  108    H    VAL  16           H        VAL  16  -1.915  -8.499  -3.006
  109    HA   VAL  16           HA       VAL  16  -2.597 -10.268  -5.241
  110    HB   VAL  16           HB       VAL  16  -1.649 -11.441  -3.171
  111   1HG1  VAL  16          1HG1      VAL  16  -3.068 -11.753  -1.274
  112   2HG1  VAL  16          2HG1      VAL  16  -2.951 -10.000  -1.557
  113   3HG1  VAL  16          3HG1      VAL  16  -4.412 -10.885  -2.054
  114   1HG2  VAL  16          1HG2      VAL  16  -2.839 -12.625  -4.938
  115   2HG2  VAL  16          2HG2      VAL  16  -3.303 -13.273  -3.347
  116   3HG2  VAL  16          3HG2      VAL  16  -4.403 -12.178  -4.217
  117    H    SER  17           H        SER  17  -4.934 -10.571  -5.518
  118    HA   SER  17           HA       SER  17  -6.288  -8.154  -4.774
  119   1HB   SER  17          1HB       SER  17  -8.150  -9.421  -6.220
  120   2HB   SER  17          2HB       SER  17  -6.805  -8.596  -6.981
  121    HG   SER  17           HG       SER  17  -6.630 -11.380  -6.245
  122    H    ALA  18           H        ALA  18  -7.988  -8.005  -3.292
  123    HA   ALA  18           HA       ALA  18  -9.058 -10.512  -2.237
  124   1HB   ALA  18          1HB       ALA  18  -7.834 -10.270  -0.362
  125   2HB   ALA  18          2HB       ALA  18  -7.255  -8.665  -0.868
  126   3HB   ALA  18          3HB       ALA  18  -8.809  -8.822  -0.013
  127    H    CYS  19           H        CYS  19 -11.085 -10.068  -0.899
  128    HA   CYS  19           HA       CYS  19 -12.432  -7.724  -2.031
  129   1HB   CYS  19          1HB       CYS  19 -13.136 -10.120  -2.741
  130   2HB   CYS  19          2HB       CYS  19 -13.869 -10.214  -1.152
  131    H    LEU  20           H        LEU  20 -12.167  -6.253  -0.322
  132    HA   LEU  20           HA       LEU  20 -13.107  -7.199   2.296
  133   1HB   LEU  20          1HB       LEU  20 -10.698  -5.777   1.489
  134   2HB   LEU  20          2HB       LEU  20 -11.592  -4.911   2.722
  135    HG   LEU  20           HG       LEU  20 -11.545  -6.909   4.172
  136   1HD1  LEU  20          1HD1      LEU  20  -9.696  -8.159   2.128
  137   2HD1  LEU  20          2HD1      LEU  20 -10.308  -8.874   3.638
  138   3HD1  LEU  20          3HD1      LEU  20 -11.423  -8.563   2.285
  139   1HD2  LEU  20          1HD2      LEU  20  -8.695  -6.771   3.725
  140   2HD2  LEU  20          2HD2      LEU  20  -9.435  -5.161   3.561
  141   3HD2  LEU  20          3HD2      LEU  20  -9.674  -6.102   5.053
  142    H    HIS  21           H        HIS  21 -14.272  -5.568   3.604
  143    HA   HIS  21           HA       HIS  21 -15.951  -3.999   1.843
  144   1HB   HIS  21          1HB       HIS  21 -16.295  -4.372   4.819
  145   2HB   HIS  21          2HB       HIS  21 -17.505  -3.923   3.632
  146    HD1  HIS  21           1HD      HIS  21 -18.492  -6.166   5.151
  147    HD2  HIS  21           2HD      HIS  21 -15.781  -6.805   2.013
  148    HE1  HIS  21           1HE      HIS  21 -18.749  -8.611   4.470
  149    H    GLU  22           H        GLU  22 -16.725  -1.795   2.968
  150    HA   GLU  22           HA       GLU  22 -14.460  -0.174   2.942
  151   1HB   GLU  22          1HB       GLU  22 -17.354   0.141   3.049
  152   2HB   GLU  22          2HB       GLU  22 -16.590   1.278   4.141
  153   1HG   GLU  22          1HG       GLU  22 -14.964   1.783   2.139
  154   2HG   GLU  22          2HG       GLU  22 -16.165   0.979   1.148
  155    H    SER  23           H        SER  23 -16.324  -1.745   5.532
  156    HA   SER  23           HA       SER  23 -15.143  -0.152   7.567
  157   1HB   SER  23          1HB       SER  23 -17.272  -2.092   7.341
  158   2HB   SER  23          2HB       SER  23 -16.199  -2.606   8.629
  159    HG   SER  23           HG       SER  23 -17.746  -0.205   8.407
  160    H    GLU  24           H        GLU  24 -13.792  -2.316   5.507
  161    HA   GLU  24           HA       GLU  24 -12.020  -3.331   7.590
  162   1HB   GLU  24          1HB       GLU  24 -13.612  -5.005   6.283
  163   2HB   GLU  24          2HB       GLU  24 -12.432  -4.834   5.000
  164   1HG   GLU  24          1HG       GLU  24 -11.740  -6.732   6.320
  165   2HG   GLU  24          2HG       GLU  24 -10.615  -5.437   6.680
  166    H    SER  25           H        SER  25  -9.739  -3.706   6.840
  167    HA   SER  25           HA       SER  25  -9.075  -2.376   4.379
  168   1HB   SER  25          1HB       SER  25  -8.553  -1.239   7.087
  169   2HB   SER  25          2HB       SER  25  -7.178  -1.226   6.001
  170    HG   SER  25           HG       SER  25  -9.408  -0.402   4.634
  171    H    CYS  26           H        CYS  26  -7.162  -3.222   3.464
  172    HA   CYS  26           HA       CYS  26  -5.892  -5.306   5.082
  173   1HB   CYS  26          1HB       CYS  26  -5.143  -5.930   2.570
  174   2HB   CYS  26          2HB       CYS  26  -6.547  -6.594   3.382
  175    H    LEU  27           H        LEU  27  -3.484  -5.678   4.152
  176    HA   LEU  27           HA       LEU  27  -2.053  -3.369   4.748
  177   1HB   LEU  27          1HB       LEU  27  -1.298  -5.723   5.000
  178   2HB   LEU  27          2HB       LEU  27  -1.122  -5.828   3.260
  179    HG   LEU  27           HG       LEU  27   0.406  -3.642   3.735
  180   1HD1  LEU  27          1HD1      LEU  27   1.620  -3.753   5.738
  181   2HD1  LEU  27          2HD1      LEU  27  -0.079  -3.971   6.227
  182   3HD1  LEU  27          3HD1      LEU  27   1.007  -5.379   6.128
  183   1HD2  LEU  27          1HD2      LEU  27   0.793  -6.149   2.766
  184   2HD2  LEU  27          2HD2      LEU  27   2.076  -4.928   2.954
  185   3HD2  LEU  27          3HD2      LEU  27   1.847  -6.177   4.201
  186    H    VAL  28           H        VAL  28  -2.947  -1.660   3.453
  187    HA   VAL  28           HA       VAL  28  -2.790  -1.875   0.600
  188    HB   VAL  28           HB       VAL  28  -3.426   0.382   2.506
  189   1HG1  VAL  28          1HG1      VAL  28  -3.993   0.473  -0.453
  190   2HG1  VAL  28          2HG1      VAL  28  -3.920   1.804   0.726
  191   3HG1  VAL  28          3HG1      VAL  28  -2.421   1.010   0.188
  192   1HG2  VAL  28          1HG2      VAL  28  -4.933  -1.841   1.559
  193   2HG2  VAL  28          2HG2      VAL  28  -5.481  -0.475   2.560
  194   3HG2  VAL  28          3HG2      VAL  28  -5.590  -0.377   0.787
  195    HA   PRO  29           HA       PRO  29   1.277  -0.448   0.227
  196   1HB   PRO  29          1HB       PRO  29   1.291   0.285  -2.406
  197   2HB   PRO  29          2HB       PRO  29   1.478  -1.375  -1.872
  198   1HG   PRO  29          1HG       PRO  29  -0.882  -0.073  -3.085
  199   2HG   PRO  29          2HG       PRO  29  -0.525  -1.782  -2.940
  200   1HD   PRO  29          1HD       PRO  29  -2.371  -0.273  -1.346
  201   2HD   PRO  29          2HD       PRO  29  -1.927  -1.954  -1.126
  202    H    GLY  30           H        GLY  30   2.546   1.510  -1.007
  203   1HA   GLY  30          1HA       GLY  30   1.012   3.957  -0.560
  204   2HA   GLY  30          2HA       GLY  30   2.403   3.686   0.473
  205    H    ASP  31           H        ASP  31   2.351   5.908  -1.224
  206    HA   ASP  31           HA       ASP  31   4.066   5.088  -3.425
  207   1HB   ASP  31          1HB       ASP  31   2.626   7.737  -2.924
  208   2HB   ASP  31          2HB       ASP  31   3.587   7.370  -4.343
  209    H    CYS  32           H        CYS  32   6.261   5.615  -3.257
  210    HA   CYS  32           HA       CYS  32   6.982   7.443  -1.092
  211   1HB   CYS  32          1HB       CYS  32   8.337   5.064  -2.308
  212   2HB   CYS  32          2HB       CYS  32   9.308   6.319  -1.565
  213    H    CYS  33           H        CYS  33   7.563   9.476  -1.771
  214    HA   CYS  33           HA       CYS  33   8.401   9.752  -4.549
  215   1HB   CYS  33          1HB       CYS  33   6.751  11.311  -2.777
  216   2HB   CYS  33          2HB       CYS  33   8.088  12.289  -3.348
  217    H    ARG  34           H        ARG  34  10.510  10.379  -5.034
  218    HA   ARG  34           HA       ARG  34  12.106  11.287  -2.785
  219   1HB   ARG  34          1HB       ARG  34  12.396   8.754  -3.612
  220   2HB   ARG  34          2HB       ARG  34  13.341   9.491  -4.891
  221   1HG   ARG  34          1HG       ARG  34  13.829   9.954  -1.911
  222   2HG   ARG  34          2HG       ARG  34  14.713   8.795  -2.885
  223   1HD   ARG  34          1HD       ARG  34  14.740  11.827  -3.083
  224   2HD   ARG  34          2HD       ARG  34  16.100  10.740  -2.874
  225    HE   ARG  34           HE       ARG  34  14.839  11.477  -5.398
  226   1HH1  ARG  34          1HH1      ARG  34  16.687   8.926  -3.775
  227   2HH1  ARG  34          2HH1      ARG  34  17.330   8.284  -5.249
  228   1HH2  ARG  34          1HH2      ARG  34  16.729   9.299  -7.334
  229    H    GLY  35           H        GLY  35  13.268  13.142  -3.275
  230   1HA   GLY  35          1HA       GLY  35  13.808  14.971  -4.504
  231   2HA   GLY  35          2HA       GLY  35  14.714  13.793  -5.432
  232    H    LYS  36           H        LYS  36  13.940  13.054  -7.470
  233    HA   LYS  36           HA       LYS  36  11.473  14.358  -8.378
  234   1HB   LYS  36          1HB       LYS  36  12.557  14.792 -10.546
  235   2HB   LYS  36          2HB       LYS  36  13.316  15.668  -9.232
  236   1HG   LYS  36          1HG       LYS  36  15.203  14.187  -9.175
  237   2HG   LYS  36          2HG       LYS  36  14.374  12.953 -10.103
  238   1HD   LYS  36          1HD       LYS  36  14.419  14.359 -12.122
  239   2HD   LYS  36          2HD       LYS  36  15.077  15.708 -11.218
  240   1HE   LYS  36          1HE       LYS  36  17.045  14.843 -12.116
  241   2HE   LYS  36          2HE       LYS  36  17.006  13.967 -10.599
  242   1HZ   LYS  36          1HZ       LYS  36  16.155  12.051 -11.694
  243   2HZ   LYS  36          2HZ       LYS  36  15.786  12.855 -13.061
  244    H    SER  37           H        SER  37  11.143  11.935  -7.353
  245    HA   SER  37           HA       SER  37  10.583  10.398  -9.678
  246   1HB   SER  37          1HB       SER  37  12.839   9.677  -7.860
  247   2HB   SER  37          2HB       SER  37  11.753   8.362  -8.265
  248    HG   SER  37           HG       SER  37  12.229   8.575 -10.445
  249    H    ARG  38           H        ARG  38   9.203   8.450  -9.095
  250    HA   ARG  38           HA       ARG  38   8.127   8.698  -6.412
  251   1HB   ARG  38          1HB       ARG  38   6.580   9.927  -7.883
  252   2HB   ARG  38          2HB       ARG  38   6.524   8.590  -9.014
  253   1HG   ARG  38          1HG       ARG  38   5.779   7.980  -6.167
  254   2HG   ARG  38          2HG       ARG  38   4.650   8.958  -7.083
  255   1HD   ARG  38          1HD       ARG  38   5.687   6.187  -7.846
  256   2HD   ARG  38          2HD       ARG  38   4.057   6.588  -7.341
  257    HE   ARG  38           HE       ARG  38   5.217   7.017  -9.992
  258   1HH1  ARG  38          1HH1      ARG  38   2.691   8.091  -7.751
  259   2HH1  ARG  38          2HH1      ARG  38   1.673   8.720  -9.003
  260   1HH2  ARG  38          1HH2      ARG  38   2.389   8.565 -11.285
  261    H    LEU  39           H        LEU  39   7.103   6.693  -5.614
  262    HA   LEU  39           HA       LEU  39   7.429   4.365  -7.329
  263   1HB   LEU  39          1HB       LEU  39   8.822   4.791  -4.694
  264   2HB   LEU  39          2HB       LEU  39   8.488   3.189  -5.321
  265    HG   LEU  39           HG       LEU  39  10.732   3.709  -5.884
  266   1HD1  LEU  39          1HD1      LEU  39  10.644   2.948  -7.985
  267   2HD1  LEU  39          2HD1      LEU  39   8.877   2.996  -7.775
  268   3HD1  LEU  39          3HD1      LEU  39   9.716   4.354  -8.561
  269   1HD2  LEU  39          1HD2      LEU  39  11.502   5.766  -6.195
  270   2HD2  LEU  39          2HD2      LEU  39  10.449   6.004  -7.610
  271   3HD2  LEU  39          3HD2      LEU  39   9.844   6.374  -5.978
  272    H    THR  40           H        THR  40   6.309   2.418  -6.353
  273    HA   THR  40           HA       THR  40   4.310   3.119  -4.351
  274    HB   THR  40           HB       THR  40   3.776   2.391  -7.263
  275    HG1  THR  40           1HG      THR  40   2.546   4.325  -6.992
  276   1HG2  THR  40          1HG2      THR  40   1.685   2.410  -5.040
  277   2HG2  THR  40          2HG2      THR  40   1.487   1.878  -6.727
  278   3HG2  THR  40          3HG2      THR  40   2.442   0.895  -5.591
  279    H    LEU  41           H        LEU  41   4.883   1.685  -2.814
  280    HA   LEU  41           HA       LEU  41   4.575  -1.099  -3.505
  281   1HB   LEU  41          1HB       LEU  41   7.058  -0.593  -1.997
  282   2HB   LEU  41          2HB       LEU  41   6.673  -1.837  -3.170
  283    HG   LEU  41           HG       LEU  41   7.077   0.997  -4.088
  284   1HD1  LEU  41          1HD1      LEU  41   9.005   0.573  -2.678
  285   2HD1  LEU  41          2HD1      LEU  41   9.295  -0.982  -3.495
  286   3HD1  LEU  41          3HD1      LEU  41   9.481   0.543  -4.393
  287   1HD2  LEU  41          1HD2      LEU  41   7.012   0.121  -6.133
  288   2HD2  LEU  41          2HD2      LEU  41   8.170  -1.162  -5.707
  289   3HD2  LEU  41          3HD2      LEU  41   6.435  -1.381  -5.373
  290    H    CYS  42           H        CYS  42   5.365  -2.274  -1.142
  291    HA   CYS  42           HA       CYS  42   3.636  -0.871   0.756
  292   1HB   CYS  42          1HB       CYS  42   4.179  -3.789   0.275
  293   2HB   CYS  42          2HB       CYS  42   3.568  -3.233   1.821
  294    H    SER  43           H        SER  43   4.520  -0.251   2.735
  295    HA   SER  43           HA       SER  43   6.843  -1.536   3.719
  296   1HB   SER  43          1HB       SER  43   8.155  -0.173   2.324
  297   2HB   SER  43          2HB       SER  43   7.039   1.176   2.411
  298    HG   SER  43           HG       SER  43   8.549   1.892   3.794
  299    H    TYR  44           H        TYR  44   5.835  -1.840   5.711
  300    HA   TYR  44           HA       TYR  44   4.618   0.519   6.955
  301   1HB   TYR  44          1HB       TYR  44   4.562  -2.528   7.398
  302   2HB   TYR  44          2HB       TYR  44   3.771  -1.417   8.499
  303    HD1  TYR  44           1HD      TYR  44   1.485  -1.218   8.230
  304    HD2  TYR  44           2HD      TYR  44   3.900  -1.960   4.778
  305    HE1  TYR  44           1HE      TYR  44  -0.599  -1.266   6.773
  306    HE2  TYR  44           2HE      TYR  44   1.809  -2.006   3.333
  307    HH   TYR  44           HH       TYR  44  -1.396  -1.483   4.784
  308    H    GLY  45           H        GLY  45   4.800   0.280   9.543
  309   1HA   GLY  45          1HA       GLY  45   7.553  -0.463  10.262
  310   2HA   GLY  45          2HA       GLY  45   7.013   1.182  10.531
  311    H    GLU  46           H        GLU  46   6.686   1.416  12.710
  312    HA   GLU  46           HA       GLU  46   5.021  -0.635  13.948
  313   1HB   GLU  46          1HB       GLU  46   6.316   0.231  16.113
  314   2HB   GLU  46          2HB       GLU  46   6.996  -1.021  15.093
  315   1HG   GLU  46          1HG       GLU  46   7.605   1.837  14.363
  316   2HG   GLU  46          2HG       GLU  46   8.393   1.186  15.787
  317    H    GLY  47           H        GLY  47   3.183   0.097  14.984
  318   1HA   GLY  47          1HA       GLY  47   2.789   2.397  16.374
  319   2HA   GLY  47          2HA       GLY  47   2.522   2.886  14.712
  320    H    GLY  48           H        GLY  48   1.068   1.248  13.383
  321   1HA   GLY  48          1HA       GLY  48  -0.777  -0.391  14.733
  322   2HA   GLY  48          2HA       GLY  48  -1.468   1.210  14.568
  323    H    ASN  49           H        ASN  49  -1.405   2.221  12.306
  324    HA   ASN  49           HA       ASN  49  -1.210   0.265  10.207
  325   1HB   ASN  49          1HB       ASN  49  -3.787   1.623  11.070
  326   2HB   ASN  49          2HB       ASN  49  -3.550   1.251   9.373
  327   1HD2  ASN  49          1HD2      ASN  49  -5.571   0.145  10.904
  328   2HD2  ASN  49          2HD2      ASN  49  -5.325  -1.561  11.080
  329    H    GLY  50           H        GLY  50   0.312   1.469   9.014
  330   1HA   GLY  50          1HA       GLY  50  -0.503   3.804   7.648
  331   2HA   GLY  50          2HA       GLY  50   0.535   4.247   8.988
  332    H    PHE  51           H        PHE  51   1.378   4.748   6.374
  333    HA   PHE  51           HA       PHE  51   3.036   2.565   5.509
  334   1HB   PHE  51          1HB       PHE  51   1.749   4.645   4.282
  335   2HB   PHE  51          2HB       PHE  51   3.277   5.449   4.581
  336    HD1  PHE  51           1HD      PHE  51   2.276   2.041   3.400
  337    HD2  PHE  51           2HD      PHE  51   4.622   5.512   2.724
  338    HE1  PHE  51           1HE      PHE  51   3.234   0.990   1.331
  339    HE2  PHE  51           2HE      PHE  51   5.579   4.462   0.654
  340    HZ   PHE  51           HZ       PHE  51   4.874   2.214  -0.017
  341    H    GLN  52           H        GLN  52   5.416   2.874   5.130
  342    HA   GLN  52           HA       GLN  52   6.603   4.817   6.907
  343   1HB   GLN  52          1HB       GLN  52   6.340   2.780   8.293
  344   2HB   GLN  52          2HB       GLN  52   7.176   1.827   7.083
  345   1HG   GLN  52          1HG       GLN  52   8.657   4.251   7.989
  346   2HG   GLN  52          2HG       GLN  52   8.403   3.046   9.235
  347   1HE2  GLN  52          1HE2      GLN  52  10.536   4.065   7.061
  348   2HE2  GLN  52          2HE2      GLN  52  11.368   2.605   6.641
  349    H    CYS  53           H        CYS  53   6.970   5.657   4.624
  350    HA   CYS  53           HA       CYS  53   8.321   4.406   2.664
  351   1HB   CYS  53          1HB       CYS  53   8.067   7.204   3.562
  352   2HB   CYS  53          2HB       CYS  53   9.460   6.883   2.548
  353    HA   PRO  54           HA       PRO  54  12.323   3.663   4.212
  354   1HB   PRO  54          1HB       PRO  54  13.832   3.647   1.932
  355   2HB   PRO  54          2HB       PRO  54  12.850   2.288   2.442
  356   1HG   PRO  54          1HG       PRO  54  12.336   4.240   0.282
  357   2HG   PRO  54          2HG       PRO  54  11.615   2.662   0.530
  358   1HD   PRO  54          1HD       PRO  54  10.411   5.206   1.085
  359   2HD   PRO  54          2HD       PRO  54   9.737   3.628   1.441
  360    H    THR  55           H        THR  55  14.660   4.403   4.352
  361    HA   THR  55           HA       THR  55  14.573   7.146   4.993
  362    HB   THR  55           HB       THR  55  16.072   5.080   5.805
  363    HG1  THR  55           1HG      THR  55  16.151   7.255   6.665
  364   1HG2  THR  55          1HG2      THR  55  17.291   4.707   3.679
  365   2HG2  THR  55          2HG2      THR  55  17.736   6.430   3.614
  366   3HG2  THR  55          3HG2      THR  55  18.406   5.386   4.890
  367    H    GLY  56           H        GLY  56  14.942   8.963   3.866
  368   1HA   GLY  56          1HA       GLY  56  16.032  10.218   2.233
  369   2HA   GLY  56          2HA       GLY  56  16.389   8.762   1.326
  370    H    TYR  57           H        TYR  57  13.325   8.078   2.132
  371    HA   TYR  57           HA       TYR  57  12.264   9.434  -0.247
  372   1HB   TYR  57          1HB       TYR  57  11.703   6.846   1.311
  373   2HB   TYR  57          2HB       TYR  57  10.557   7.436   0.123
  374    HD1  TYR  57           1HD      TYR  57  13.972   6.090   0.594
  375    HD2  TYR  57           2HD      TYR  57  10.968   7.205  -2.240
  376    HE1  TYR  57           1HE      TYR  57  15.266   4.913  -1.251
  377    HE2  TYR  57           2HE      TYR  57  12.272   6.026  -4.076
  378    HH   TYR  57           HH       TYR  57  14.527   3.812  -3.545
  379    H    ARG  58           H        ARG  58   9.813   9.826  -0.156
  380    HA   ARG  58           HA       ARG  58   8.851  10.263   2.507
  381   1HB   ARG  58          1HB       ARG  58   9.179  12.552   0.502
  382   2HB   ARG  58          2HB       ARG  58   8.249  12.676   1.982
  383   1HG   ARG  58          1HG       ARG  58  10.322  12.081   3.297
  384   2HG   ARG  58          2HG       ARG  58  11.236  12.054   1.801
  385   1HD   ARG  58          1HD       ARG  58  11.640  14.261   2.325
  386   2HD   ARG  58          2HD       ARG  58  10.088  14.517   1.554
  387    HE   ARG  58           HE       ARG  58   9.212  15.105   3.632
  388   1HH1  ARG  58          2HH1      ARG  58  12.083  13.100   4.171
  389   2HH1  ARG  58          1HH1      ARG  58  12.038  13.280   5.893
  390   2HH2  ARG  58          2HH2      ARG  58  10.306  14.603   6.890
  391    H    GLN  59           H        GLN  59   6.691   9.686   2.527
  392    HA   GLN  59           HA       GLN  59   5.389   8.605   0.500
  393   1HB   GLN  59          1HB       GLN  59   4.357  10.206   2.857
  394   2HB   GLN  59          2HB       GLN  59   3.232   9.491   1.719
  395   1HG   GLN  59          1HG       GLN  59   3.696   7.330   2.393
  396   2HG   GLN  59          2HG       GLN  59   5.394   7.662   2.667
  397   1HE2  GLN  59          1HE2      GLN  59   2.177   8.537   3.909
  398   2HE2  GLN  59          2HE2      GLN  59   2.581   8.540   5.592
  399    H    CYS  60           H        CYS  60   4.442   9.206  -1.419
  400    HA   CYS  60           HA       CYS  60   4.666  11.952  -2.173
  401   1HB   CYS  60          1HB       CYS  60   4.917   9.664  -3.550
  402   2HB   CYS  60          2HB       CYS  60   3.232   9.997  -3.895
  Start of MODEL   16
    1   1H    ASP   1          1H        ASP   1 -19.462  -6.065  -8.365
    2    HA   ASP   1           HA       ASP   1 -22.316  -5.530  -8.640
    3   1HB   ASP   1          1HB       ASP   1 -20.713  -7.882  -9.277
    4   2HB   ASP   1          2HB       ASP   1 -21.886  -8.294  -8.040
    5    H    ARG   2           H        ARG   2 -19.797  -7.343  -6.718
    6    HA   ARG   2           HA       ARG   2 -21.013  -6.315  -4.324
    7   1HB   ARG   2          1HB       ARG   2 -20.346  -9.255  -4.281
    8   2HB   ARG   2          2HB       ARG   2 -21.534  -8.379  -3.337
    9   1HG   ARG   2          1HG       ARG   2 -22.840  -8.039  -5.544
   10   2HG   ARG   2          2HG       ARG   2 -21.744  -9.201  -6.266
   11   1HD   ARG   2          1HD       ARG   2 -23.301  -9.833  -3.721
   12   2HD   ARG   2          2HD       ARG   2 -23.979 -10.117  -5.311
   13    HE   ARG   2           HE       ARG   2 -21.739 -11.587  -4.067
   14   1HH1  ARG   2          1HH1      ARG   2 -23.576 -10.955  -7.031
   15   2HH1  ARG   2          2HH1      ARG   2 -23.051 -12.408  -7.814
   16   1HH2  ARG   2          1HH2      ARG   2 -21.564 -13.892  -6.660
   17    H    CYS   3           H        CYS   3 -19.539  -6.570  -2.405
   18    HA   CYS   3           HA       CYS   3 -17.580  -6.544  -1.417
   19   1HB   CYS   3          1HB       CYS   3 -17.304  -8.845  -2.052
   20   2HB   CYS   3          2HB       CYS   3 -16.757  -8.399  -3.656
   21    H    ARG   4           H        ARG   4 -15.939  -4.970  -1.376
   22    HA   ARG   4           HA       ARG   4 -15.693  -3.477  -3.830
   23   1HB   ARG   4          1HB       ARG   4 -15.520  -2.887  -0.931
   24   2HB   ARG   4          2HB       ARG   4 -14.239  -2.117  -1.847
   25   1HG   ARG   4          1HG       ARG   4 -16.233  -1.452  -3.497
   26   2HG   ARG   4          2HG       ARG   4 -17.231  -1.739  -2.086
   27   1HD   ARG   4          1HD       ARG   4 -16.544   0.649  -2.229
   28   2HD   ARG   4          2HD       ARG   4 -15.920  -0.099  -0.772
   29    HE   ARG   4           HE       ARG   4 -13.992  -0.377  -2.892
   30   1HH1  ARG   4          1HH1      ARG   4 -15.335   2.062  -0.703
   31   2HH1  ARG   4          2HH1      ARG   4 -13.911   3.047  -0.725
   32   1HH2  ARG   4          1HH2      ARG   4 -12.028   2.358  -2.038
   33    H    TYR   5           H        TYR   5 -14.273  -5.145  -4.853
   34    HA   TYR   5           HA       TYR   5 -11.939  -6.121  -3.821
   35   1HB   TYR   5          1HB       TYR   5 -12.640  -5.085  -6.640
   36   2HB   TYR   5          2HB       TYR   5 -11.331  -6.203  -6.315
   37    HD1  TYR   5           1HD      TYR   5 -11.924  -8.494  -5.298
   38    HD2  TYR   5           2HD      TYR   5 -14.833  -5.873  -7.023
   39    HE1  TYR   5           1HE      TYR   5 -13.532 -10.445  -5.571
   40    HE2  TYR   5           2HE      TYR   5 -16.430  -7.832  -7.290
   41    HH   TYR   5           HH       TYR   5 -15.504 -11.078  -6.173
   42    H    THR   6           H        THR   6 -10.160  -5.148  -2.999
   43    HA   THR   6           HA       THR   6  -9.232  -2.703  -4.339
   44    HB   THR   6           HB       THR   6  -9.077  -3.019  -1.326
   45    HG1  THR   6           1HG      THR   6 -11.259  -1.960  -2.982
   46   1HG2  THR   6          1HG2      THR   6  -8.526  -0.948  -3.268
   47   2HG2  THR   6          2HG2      THR   6  -9.926  -0.434  -2.296
   48   3HG2  THR   6          3HG2      THR   6  -8.391  -0.848  -1.496
   49    H    LEU   7           H        LEU   7  -6.910  -2.213  -3.848
   50    HA   LEU   7           HA       LEU   7  -5.466  -4.728  -3.974
   51   1HB   LEU   7          1HB       LEU   7  -4.887  -1.882  -4.710
   52   2HB   LEU   7          2HB       LEU   7  -3.563  -3.002  -4.461
   53    HG   LEU   7           HG       LEU   7  -5.787  -3.793  -6.310
   54   1HD1  LEU   7          1HD1      LEU   7  -5.394  -1.606  -7.127
   55   2HD1  LEU   7          2HD1      LEU   7  -3.632  -1.765  -6.932
   56   3HD1  LEU   7          3HD1      LEU   7  -4.477  -2.706  -8.184
   57   1HD2  LEU   7          1HD2      LEU   7  -4.420  -5.475  -6.780
   58   2HD2  LEU   7          2HD2      LEU   7  -3.118  -4.346  -7.225
   59   3HD2  LEU   7          3HD2      LEU   7  -3.298  -4.875  -5.536
   60    H    CYS   8           H        CYS   8  -4.569  -5.618  -2.202
   61    HA   CYS   8           HA       CYS   8  -3.707  -3.769  -0.106
   62   1HB   CYS   8          1HB       CYS   8  -5.211  -6.364   0.283
   63   2HB   CYS   8          2HB       CYS   8  -4.405  -5.486   1.569
   64    H    CYS   9           H        CYS   9  -2.079  -4.984   1.414
   65    HA   CYS   9           HA       CYS   9  -0.345  -6.555  -0.328
   66   1HB   CYS   9          1HB       CYS   9   0.117  -4.673   1.932
   67   2HB   CYS   9          2HB       CYS   9   1.236  -6.009   1.759
   68    H    ASP  10           H        ASP  10   0.565  -8.568   0.484
   69    HA   ASP  10           HA       ASP  10  -1.223  -9.840   2.332
   70   1HB   ASP  10          1HB       ASP  10   1.004 -10.754   0.489
   71   2HB   ASP  10          2HB       ASP  10   0.428 -11.833   1.743
   72    H    GLY  11           H        GLY  11   1.621  -8.004   2.471
   73   1HA   GLY  11          1HA       GLY  11   2.821  -7.523   4.375
   74   2HA   GLY  11          2HA       GLY  11   2.263  -9.003   5.130
   75    H    ALA  12           H        ALA  12   2.914 -10.732   2.776
   76    HA   ALA  12           HA       ALA  12   5.767 -10.422   2.446
   77   1HB   ALA  12          1HB       ALA  12   6.436 -12.336   3.612
   78   2HB   ALA  12          2HB       ALA  12   5.201 -11.652   4.696
   79   3HB   ALA  12          3HB       ALA  12   4.793 -13.021   3.635
   80    H    LEU  13           H        LEU  13   5.222 -10.199   0.216
   81    HA   LEU  13           HA       LEU  13   5.349 -12.418  -1.316
   82   1HB   LEU  13          1HB       LEU  13   2.659 -12.075  -0.247
   83   2HB   LEU  13          2HB       LEU  13   2.680 -12.089  -2.000
   84    HG   LEU  13           HG       LEU  13   4.151 -14.233  -0.494
   85   1HD1  LEU  13          1HD1      LEU  13   1.569 -15.217  -1.145
   86   2HD1  LEU  13          2HD1      LEU  13   2.330 -15.062   0.456
   87   3HD1  LEU  13          3HD1      LEU  13   1.352 -13.725  -0.197
   88   1HD2  LEU  13          1HD2      LEU  13   2.568 -14.616  -3.010
   89   2HD2  LEU  13          2HD2      LEU  13   4.141 -13.783  -3.078
   90   3HD2  LEU  13          3HD2      LEU  13   4.039 -15.443  -2.444
   91    H    LYS  14           H        LYS  14   2.691 -10.093  -1.912
   92    HA   LYS  14           HA       LYS  14   4.177  -8.030  -2.982
   93   1HB   LYS  14          1HB       LYS  14   4.398 -10.305  -4.618
   94   2HB   LYS  14          2HB       LYS  14   3.226  -9.281  -5.425
   95   1HG   LYS  14          1HG       LYS  14   6.072  -8.569  -4.609
   96   2HG   LYS  14          2HG       LYS  14   5.396  -8.596  -6.226
   97   1HD   LYS  14          1HD       LYS  14   4.608  -6.470  -6.037
   98   2HD   LYS  14          2HD       LYS  14   3.850  -6.809  -4.493
   99   1HE   LYS  14          1HE       LYS  14   5.464  -5.578  -3.481
  100   2HE   LYS  14          2HE       LYS  14   6.638  -6.792  -3.948
  101   1HZ   LYS  14          1HZ       LYS  14   6.831  -4.306  -4.785
  102   2HZ   LYS  14          2HZ       LYS  14   7.319  -5.536  -5.735
  103    H    ALA  15           H        ALA  15   2.772  -6.358  -2.958
  104    HA   ALA  15           HA       ALA  15   0.223  -6.452  -2.214
  105   1HB   ALA  15          1HB       ALA  15   0.380  -4.435  -4.247
  106   2HB   ALA  15          2HB       ALA  15   0.532  -4.245  -2.483
  107   3HB   ALA  15          3HB       ALA  15   1.977  -4.566  -3.471
  108    H    VAL  16           H        VAL  16  -1.580  -7.474  -2.910
  109    HA   VAL  16           HA       VAL  16  -1.908  -7.757  -5.811
  110    HB   VAL  16           HB       VAL  16  -1.185  -9.824  -4.223
  111   1HG1  VAL  16          1HG1      VAL  16  -4.129 -10.336  -4.492
  112   2HG1  VAL  16          2HG1      VAL  16  -2.939 -11.068  -3.390
  113   3HG1  VAL  16          3HG1      VAL  16  -3.533  -9.417  -3.089
  114   1HG2  VAL  16          1HG2      VAL  16  -2.983  -9.869  -6.667
  115   2HG2  VAL  16          2HG2      VAL  16  -1.204  -9.924  -6.629
  116   3HG2  VAL  16          3HG2      VAL  16  -2.151 -11.298  -6.007
  117    H    SER  17           H        SER  17  -4.437  -8.928  -5.815
  118    HA   SER  17           HA       SER  17  -5.957  -6.684  -4.864
  119   1HB   SER  17          1HB       SER  17  -7.834  -7.857  -6.147
  120   2HB   SER  17          2HB       SER  17  -6.464  -7.332  -7.106
  121    HG   SER  17           HG       SER  17  -6.864 -10.018  -6.091
  122    H    ALA  18           H        ALA  18  -7.982  -6.981  -3.598
  123    HA   ALA  18           HA       ALA  18  -8.161  -9.527  -2.189
  124   1HB   ALA  18          1HB       ALA  18  -8.070  -6.860  -0.733
  125   2HB   ALA  18          2HB       ALA  18  -8.091  -8.491  -0.022
  126   3HB   ALA  18          3HB       ALA  18  -6.655  -7.926  -0.911
  127    H    CYS  19           H        CYS  19 -10.278  -9.863  -1.205
  128    HA   CYS  19           HA       CYS  19 -12.276  -8.081  -2.397
  129   1HB   CYS  19          1HB       CYS  19 -12.100 -10.519  -3.187
  130   2HB   CYS  19          2HB       CYS  19 -12.757 -10.953  -1.621
  131    H    LEU  20           H        LEU  20 -12.485  -6.631  -0.629
  132    HA   LEU  20           HA       LEU  20 -13.527  -7.882   1.811
  133   1HB   LEU  20          1HB       LEU  20 -11.224  -6.084   1.472
  134   2HB   LEU  20          2HB       LEU  20 -12.353  -5.589   2.718
  135    HG   LEU  20           HG       LEU  20 -12.149  -7.918   3.696
  136   1HD1  LEU  20          1HD1      LEU  20 -10.997  -9.516   2.681
  137   2HD1  LEU  20          2HD1      LEU  20 -10.764  -8.420   1.298
  138   3HD1  LEU  20          3HD1      LEU  20  -9.548  -8.486   2.596
  139   1HD2  LEU  20          1HD2      LEU  20 -10.049  -7.436   4.836
  140   2HD2  LEU  20          2HD2      LEU  20  -9.626  -6.241   3.588
  141   3HD2  LEU  20          3HD2      LEU  20 -11.024  -5.958   4.652
  142    H    HIS  21           H        HIS  21 -14.939  -6.369   3.088
  143    HA   HIS  21           HA       HIS  21 -16.555  -4.884   1.197
  144   1HB   HIS  21          1HB       HIS  21 -17.070  -5.649   4.084
  145   2HB   HIS  21          2HB       HIS  21 -18.217  -4.857   3.022
  146    HD1  HIS  21           1HD      HIS  21 -17.070  -6.890   0.574
  147    HD2  HIS  21           2HD      HIS  21 -18.960  -7.828   4.198
  148    HE1  HIS  21           1HE      HIS  21 -18.097  -9.206   0.266
  149    H    GLU  22           H        GLU  22 -17.711  -2.876   2.575
  150    HA   GLU  22           HA       GLU  22 -15.722  -0.954   2.602
  151   1HB   GLU  22          1HB       GLU  22 -18.610  -1.093   2.984
  152   2HB   GLU  22          2HB       GLU  22 -17.909   0.047   4.113
  153   1HG   GLU  22          1HG       GLU  22 -16.605   1.015   2.082
  154   2HG   GLU  22          2HG       GLU  22 -17.676   0.060   1.077
  155    H    SER  23           H        SER  23 -17.028  -3.071   5.127
  156    HA   SER  23           HA       SER  23 -15.952  -1.504   7.241
  157   1HB   SER  23          1HB       SER  23 -16.514  -3.672   8.569
  158   2HB   SER  23          2HB       SER  23 -17.840  -2.757   7.880
  159    HG   SER  23           HG       SER  23 -18.301  -4.369   6.525
  160    H    GLU  24           H        GLU  24 -15.357  -5.014   6.526
  161    HA   GLU  24           HA       GLU  24 -13.062  -5.329   7.781
  162   1HB   GLU  24          1HB       GLU  24 -14.413  -6.974   6.288
  163   2HB   GLU  24          2HB       GLU  24 -13.395  -6.433   4.969
  164   1HG   GLU  24          1HG       GLU  24 -12.362  -8.415   5.904
  165   2HG   GLU  24          2HG       GLU  24 -11.360  -7.049   6.352
  166    H    SER  25           H        SER  25 -10.753  -5.254   7.241
  167    HA   SER  25           HA       SER  25 -10.128  -3.532   5.000
  168   1HB   SER  25          1HB       SER  25  -9.722  -2.900   7.894
  169   2HB   SER  25          2HB       SER  25  -8.365  -2.547   6.843
  170    HG   SER  25           HG       SER  25 -11.031  -1.473   6.766
  171    H    CYS  26           H        CYS  26  -7.635  -3.511   4.630
  172    HA   CYS  26           HA       CYS  26  -6.417  -5.943   5.677
  173   1HB   CYS  26          1HB       CYS  26  -5.472  -6.029   3.160
  174   2HB   CYS  26          2HB       CYS  26  -6.841  -6.960   3.734
  175    H    LEU  27           H        LEU  27  -3.940  -5.886   4.950
  176    HA   LEU  27           HA       LEU  27  -2.915  -3.421   5.887
  177   1HB   LEU  27          1HB       LEU  27  -2.044  -5.906   6.022
  178   2HB   LEU  27          2HB       LEU  27  -1.227  -5.480   4.531
  179    HG   LEU  27           HG       LEU  27   0.073  -3.803   5.582
  180   1HD1  LEU  27          1HD1      LEU  27  -2.049  -3.876   7.658
  181   2HD1  LEU  27          2HD1      LEU  27  -0.391  -3.545   8.213
  182   3HD1  LEU  27          3HD1      LEU  27  -1.142  -2.503   6.979
  183   1HD2  LEU  27          1HD2      LEU  27  -0.092  -6.096   7.555
  184   2HD2  LEU  27          2HD2      LEU  27   0.771  -6.144   5.998
  185   3HD2  LEU  27          3HD2      LEU  27   1.295  -5.016   7.272
  186    H    VAL  28           H        VAL  28  -3.572  -1.731   4.518
  187    HA   VAL  28           HA       VAL  28  -3.316  -1.876   1.720
  188    HB   VAL  28           HB       VAL  28  -4.872  -0.376   2.648
  189   1HG1  VAL  28          1HG1      VAL  28  -4.547   0.501   4.673
  190   2HG1  VAL  28          2HG1      VAL  28  -2.816   0.093   4.616
  191   3HG1  VAL  28          3HG1      VAL  28  -3.387   1.645   3.958
  192   1HG2  VAL  28          1HG2      VAL  28  -2.498   0.925   1.346
  193   2HG2  VAL  28          2HG2      VAL  28  -4.140   0.656   0.714
  194   3HG2  VAL  28          3HG2      VAL  28  -3.847   1.936   1.917
  195    HA   PRO  29           HA       PRO  29   0.920  -1.095   1.299
  196   1HB   PRO  29          1HB       PRO  29   1.011  -0.340  -1.326
  197   2HB   PRO  29          2HB       PRO  29   0.945  -2.014  -0.813
  198   1HG   PRO  29          1HG       PRO  29  -1.201  -0.346  -1.976
  199   2HG   PRO  29          2HG       PRO  29  -1.112  -2.092  -1.853
  200   1HD   PRO  29          1HD       PRO  29  -2.678  -0.335  -0.215
  201   2HD   PRO  29          2HD       PRO  29  -2.498  -2.067  -0.020
  202    H    GLY  30           H        GLY  30   2.372   0.699  -0.117
  203   1HA   GLY  30          1HA       GLY  30   1.268   3.322   0.562
  204   2HA   GLY  30          2HA       GLY  30   2.729   2.821   1.392
  205    H    ASP  31           H        ASP  31   2.068   4.949  -0.773
  206    HA   ASP  31           HA       ASP  31   3.922   3.996  -2.798
  207   1HB   ASP  31          1HB       ASP  31   2.170   6.495  -2.845
  208   2HB   ASP  31          2HB       ASP  31   3.052   5.819  -4.199
  209    H    CYS  32           H        CYS  32   6.030   4.766  -2.602
  210    HA   CYS  32           HA       CYS  32   6.426   7.125  -0.938
  211   1HB   CYS  32          1HB       CYS  32   8.166   4.811  -1.725
  212   2HB   CYS  32          2HB       CYS  32   8.898   6.320  -1.215
  213    H    CYS  33           H        CYS  33   6.626   9.047  -2.032
  214    HA   CYS  33           HA       CYS  33   7.373   8.923  -4.834
  215   1HB   CYS  33          1HB       CYS  33   5.630  10.572  -3.253
  216   2HB   CYS  33          2HB       CYS  33   6.828  11.585  -4.033
  217    H    ARG  34           H        ARG  34   9.464   9.378  -5.442
  218    HA   ARG  34           HA       ARG  34  11.074  10.779  -3.462
  219   1HB   ARG  34          1HB       ARG  34  11.663   8.332  -4.091
  220   2HB   ARG  34          2HB       ARG  34  12.128   8.946  -5.665
  221   1HG   ARG  34          1HG       ARG  34  13.428  10.692  -3.895
  222   2HG   ARG  34          2HG       ARG  34  13.545   9.145  -3.079
  223   1HD   ARG  34          1HD       ARG  34  15.466   9.146  -4.461
  224   2HD   ARG  34          2HD       ARG  34  14.325   8.202  -5.398
  225    HE   ARG  34           HE       ARG  34  14.004  10.950  -6.117
  226   1HH1  ARG  34          1HH1      ARG  34  16.375   8.339  -6.453
  227   2HH1  ARG  34          2HH1      ARG  34  17.045   8.968  -7.922
  228   1HH2  ARG  34          1HH2      ARG  34  16.155  10.993  -8.844
  229    H    GLY  35           H        GLY  35  11.311  12.906  -4.100
  230   1HA   GLY  35          1HA       GLY  35  11.690  14.704  -5.392
  231   2HA   GLY  35          2HA       GLY  35  12.672  13.657  -6.398
  232    H    LYS  36           H        LYS  36  11.686  12.516  -8.225
  233    HA   LYS  36           HA       LYS  36   9.028  13.517  -8.931
  234   1HB   LYS  36          1HB       LYS  36   9.743  14.049 -11.174
  235   2HB   LYS  36          2HB       LYS  36  10.705  14.955 -10.024
  236   1HG   LYS  36          1HG       LYS  36  12.574  13.371 -10.251
  237   2HG   LYS  36          2HG       LYS  36  11.608  12.312 -11.258
  238   1HD   LYS  36          1HD       LYS  36  11.539  14.970 -12.405
  239   2HD   LYS  36          2HD       LYS  36  13.209  14.559 -12.071
  240   1HE   LYS  36          1HE       LYS  36  11.727  12.295 -13.254
  241   2HE   LYS  36          2HE       LYS  36  11.705  13.709 -14.288
  242   1HZ   LYS  36          1HZ       LYS  36  13.687  12.554 -14.811
  243   2HZ   LYS  36          2HZ       LYS  36  14.205  13.794 -13.891
  244    H    SER  37           H        SER  37   9.675  11.028  -7.702
  245    HA   SER  37           HA       SER  37   8.861   9.315  -9.880
  246   1HB   SER  37          1HB       SER  37  11.403   9.060  -8.326
  247   2HB   SER  37          2HB       SER  37  10.500   7.574  -8.551
  248    HG   SER  37           HG       SER  37  10.413   8.329 -10.930
  249    H    ARG  38           H        ARG  38   8.061   7.113  -8.943
  250    HA   ARG  38           HA       ARG  38   7.151   7.496  -6.214
  251   1HB   ARG  38          1HB       ARG  38   5.250   8.114  -7.637
  252   2HB   ARG  38          2HB       ARG  38   5.452   6.677  -8.620
  253   1HG   ARG  38          1HG       ARG  38   4.964   5.261  -6.583
  254   2HG   ARG  38          2HG       ARG  38   4.674   6.725  -5.665
  255   1HD   ARG  38          1HD       ARG  38   2.492   6.181  -6.335
  256   2HD   ARG  38          2HD       ARG  38   2.958   7.297  -7.603
  257    HE   ARG  38           HE       ARG  38   3.764   4.704  -8.440
  258   1HH1  ARG  38          1HH1      ARG  38   0.752   6.449  -7.777
  259   2HH1  ARG  38          2HH1      ARG  38  -0.183   5.510  -8.892
  260   1HH2  ARG  38          1HH2      ARG  38   0.883   3.762 -10.137
  261    H    LEU  39           H        LEU  39   6.679   5.450  -5.073
  262    HA   LEU  39           HA       LEU  39   7.360   3.016  -6.493
  263   1HB   LEU  39          1HB       LEU  39   9.003   4.204  -4.280
  264   2HB   LEU  39          2HB       LEU  39   8.905   2.466  -4.479
  265    HG   LEU  39           HG       LEU  39   9.972   4.476  -6.477
  266   1HD1  LEU  39          1HD1      LEU  39  11.174   2.762  -4.431
  267   2HD1  LEU  39          2HD1      LEU  39  11.898   2.554  -6.044
  268   3HD1  LEU  39          3HD1      LEU  39  11.840   4.168  -5.296
  269   1HD2  LEU  39          1HD2      LEU  39   9.217   1.592  -6.815
  270   2HD2  LEU  39          2HD2      LEU  39   8.995   2.970  -7.920
  271   3HD2  LEU  39          3HD2      LEU  39  10.609   2.254  -7.705
  272    H    THR  40           H        THR  40   5.447   1.977  -6.171
  273    HA   THR  40           HA       THR  40   4.203   2.185  -3.536
  274    HB   THR  40           HB       THR  40   3.223   0.918  -6.148
  275    HG1  THR  40           1HG      THR  40   2.543   3.024  -6.569
  276   1HG2  THR  40          1HG2      THR  40   1.873   0.201  -4.209
  277   2HG2  THR  40          2HG2      THR  40   1.813   1.873  -3.601
  278   3HG2  THR  40          3HG2      THR  40   0.971   1.442  -5.109
  279    H    LEU  41           H        LEU  41   4.891   0.827  -2.006
  280    HA   LEU  41           HA       LEU  41   4.912  -1.986  -2.653
  281   1HB   LEU  41          1HB       LEU  41   7.091  -2.433  -2.440
  282   2HB   LEU  41          2HB       LEU  41   7.260  -0.786  -3.015
  283    HG   LEU  41           HG       LEU  41   7.087  -0.448  -0.273
  284   1HD1  LEU  41          1HD1      LEU  41   8.215  -2.070   0.886
  285   2HD1  LEU  41          2HD1      LEU  41   7.353  -3.069  -0.310
  286   3HD1  LEU  41          3HD1      LEU  41   9.071  -2.670  -0.554
  287   1HD2  LEU  41          1HD2      LEU  41   8.591   0.814  -1.596
  288   2HD2  LEU  41          2HD2      LEU  41   9.587  -0.099  -0.439
  289   3HD2  LEU  41          3HD2      LEU  41   9.464  -0.642  -2.131
  290    H    CYS  42           H        CYS  42   5.434  -3.245  -0.484
  291    HA   CYS  42           HA       CYS  42   3.704  -2.016   1.473
  292   1HB   CYS  42          1HB       CYS  42   4.924  -4.708   1.879
  293   2HB   CYS  42          2HB       CYS  42   3.337  -4.113   2.327
  294    H    SER  43           H        SER  43   4.608  -0.750   3.058
  295    HA   SER  43           HA       SER  43   6.907  -1.713   4.421
  296   1HB   SER  43          1HB       SER  43   8.147  -0.622   2.687
  297   2HB   SER  43          2HB       SER  43   7.067   0.759   2.665
  298    HG   SER  43           HG       SER  43   8.503   0.131   5.070
  299    H    TYR  44           H        TYR  44   5.669  -1.651   6.331
  300    HA   TYR  44           HA       TYR  44   4.236   0.792   6.963
  301   1HB   TYR  44          1HB       TYR  44   4.648  -1.571   8.827
  302   2HB   TYR  44          2HB       TYR  44   3.177  -0.661   8.544
  303    HD1  TYR  44           1HD      TYR  44   4.573  -3.781   8.153
  304    HD2  TYR  44           2HD      TYR  44   2.390  -0.874   5.897
  305    HE1  TYR  44           1HE      TYR  44   3.734  -5.608   6.597
  306    HE2  TYR  44           2HE      TYR  44   1.557  -2.711   4.349
  307    HH   TYR  44           HH       TYR  44   1.719  -4.800   3.790
  308    H    GLY  45           H        GLY  45   4.464   1.717   9.219
  309   1HA   GLY  45          1HA       GLY  45   6.913   2.784   9.691
  310   2HA   GLY  45          2HA       GLY  45   5.694   2.539  10.925
  311    H    GLU  46           H        GLU  46   5.819  -0.508  10.425
  312    HA   GLU  46           HA       GLU  46   6.822  -2.239  11.266
  313   1HB   GLU  46          1HB       GLU  46   8.964  -0.727  10.047
  314   2HB   GLU  46          2HB       GLU  46   9.586  -1.499  11.494
  315   1HG   GLU  46          1HG       GLU  46   8.227  -2.832   9.115
  316   2HG   GLU  46          2HG       GLU  46   9.868  -3.073   9.680
  317    H    GLY  47           H        GLY  47   6.315   0.486  12.877
  318   1HA   GLY  47          1HA       GLY  47   7.377  -0.604  15.399
  319   2HA   GLY  47          2HA       GLY  47   7.669   1.072  14.982
  320    H    GLY  48           H        GLY  48   6.105   2.610  15.419
  321   1HA   GLY  48          1HA       GLY  48   3.358   1.684  15.903
  322   2HA   GLY  48          2HA       GLY  48   4.209   2.526  17.184
  323    H    ASN  49           H        ASN  49   4.218   3.018  13.583
  324    HA   ASN  49           HA       ASN  49   2.892   5.544  14.014
  325   1HB   ASN  49          1HB       ASN  49   5.730   5.180  13.059
  326   2HB   ASN  49          2HB       ASN  49   4.772   6.387  12.224
  327   1HD2  ASN  49          1HD2      ASN  49   5.694   8.197  12.957
  328   2HD2  ASN  49          2HD2      ASN  49   5.722   8.719  14.609
  329    H    GLY  50           H        GLY  50   1.547   3.501  12.917
  330   1HA   GLY  50          1HA       GLY  50   0.716   2.504  11.052
  331   2HA   GLY  50          2HA       GLY  50   0.621   4.166  10.505
  332    H    PHE  51           H        PHE  51   1.835   4.815   8.748
  333    HA   PHE  51           HA       PHE  51   3.787   2.849   7.780
  334   1HB   PHE  51          1HB       PHE  51   1.570   3.496   6.505
  335   2HB   PHE  51          2HB       PHE  51   2.315   5.061   6.244
  336    HD1  PHE  51           1HD      PHE  51   2.080   1.673   5.109
  337    HD2  PHE  51           2HD      PHE  51   4.506   5.151   4.962
  338    HE1  PHE  51           1HE      PHE  51   3.233   0.784   3.064
  339    HE2  PHE  51           2HE      PHE  51   5.658   4.262   2.918
  340    HZ   PHE  51           HZ       PHE  51   5.008   2.089   1.993
  341    H    GLN  52           H        GLN  52   5.746   3.663   6.752
  342    HA   GLN  52           HA       GLN  52   6.269   6.465   7.082
  343   1HB   GLN  52          1HB       GLN  52   7.006   4.732   9.153
  344   2HB   GLN  52          2HB       GLN  52   8.483   4.890   8.225
  345   1HG   GLN  52          1HG       GLN  52   6.851   7.344   8.971
  346   2HG   GLN  52          2HG       GLN  52   7.989   6.648  10.107
  347   1HE2  GLN  52          1HE2      GLN  52  10.192   6.136   9.159
  348   2HE2  GLN  52          2HE2      GLN  52  10.922   7.342   8.150
  349    H    CYS  53           H        CYS  53   7.419   7.164   5.323
  350    HA   CYS  53           HA       CYS  53   8.343   5.193   3.476
  351   1HB   CYS  53          1HB       CYS  53   7.869   8.107   3.477
  352   2HB   CYS  53          2HB       CYS  53   9.192   7.575   2.458
  353    HA   PRO  54           HA       PRO  54  12.516   5.298   4.719
  354   1HB   PRO  54          1HB       PRO  54  13.825   4.658   2.406
  355   2HB   PRO  54          2HB       PRO  54  13.041   3.467   3.424
  356   1HG   PRO  54          1HG       PRO  54  12.143   4.569   0.832
  357   2HG   PRO  54          2HG       PRO  54  11.618   3.107   1.645
  358   1HD   PRO  54          1HD       PRO  54  10.197   5.595   1.503
  359   2HD   PRO  54          2HD       PRO  54   9.729   4.171   2.411
  360    H    THR  55           H        THR  55  14.824   6.145   4.146
  361    HA   THR  55           HA       THR  55  14.546   8.943   4.079
  362    HB   THR  55           HB       THR  55  16.879   6.986   3.843
  363    HG1  THR  55           1HG      THR  55  16.355   7.136   5.994
  364   1HG2  THR  55          1HG2      THR  55  18.276   9.030   4.479
  365   2HG2  THR  55          2HG2      THR  55  17.690   9.048   2.798
  366   3HG2  THR  55          3HG2      THR  55  16.880  10.042   4.034
  367    H    GLY  56           H        GLY  56  14.629  10.456   2.498
  368   1HA   GLY  56          1HA       GLY  56  15.054  11.314   0.421
  369   2HA   GLY  56          2HA       GLY  56  15.591   9.744  -0.141
  370    H    TYR  57           H        TYR  57  12.778   9.003   1.438
  371    HA   TYR  57           HA       TYR  57  11.180   9.425  -0.997
  372   1HB   TYR  57          1HB       TYR  57  11.464   7.211   1.108
  373   2HB   TYR  57          2HB       TYR  57  10.017   7.297   0.123
  374    HD1  TYR  57           1HD      TYR  57  10.262   7.142  -2.420
  375    HD2  TYR  57           2HD      TYR  57  13.441   6.198   0.284
  376    HE1  TYR  57           1HE      TYR  57  11.437   5.826  -4.250
  377    HE2  TYR  57           2HE      TYR  57  14.605   4.885  -1.556
  378    HH   TYR  57           HH       TYR  57  14.101   5.232  -4.611
  379    H    ARG  58           H        ARG  58   8.924   9.903  -0.738
  380    HA   ARG  58           HA       ARG  58   8.082  10.431   1.965
  381   1HB   ARG  58          1HB       ARG  58   7.172  12.719   1.166
  382   2HB   ARG  58          2HB       ARG  58   8.902  12.618   1.428
  383   1HG   ARG  58          1HG       ARG  58   9.337  12.380  -0.953
  384   2HG   ARG  58          2HG       ARG  58   7.637  12.148  -1.306
  385   1HD   ARG  58          1HD       ARG  58   8.793  14.713  -0.110
  386   2HD   ARG  58          2HD       ARG  58   8.486  14.483  -1.820
  387    HE   ARG  58           HE       ARG  58   6.074  13.824  -0.527
  388   1HH1  ARG  58          1HH1      ARG  58   8.137  16.689  -0.811
  389   2HH1  ARG  58          2HH1      ARG  58   6.826  17.805  -0.621
  390   1HH2  ARG  58          1HH2      ARG  58   4.605  16.964  -0.306
  391    H    GLN  59           H        GLN  59   5.972   9.722   2.211
  392    HA   GLN  59           HA       GLN  59   4.631   8.314   0.440
  393   1HB   GLN  59          1HB       GLN  59   2.605   8.729   1.733
  394   2HB   GLN  59          2HB       GLN  59   3.976   8.682   2.825
  395   1HG   GLN  59          1HG       GLN  59   3.309  10.709   3.599
  396   2HG   GLN  59          2HG       GLN  59   3.841  11.386   2.073
  397   1HE2  GLN  59          1HE2      GLN  59   1.105   9.550   3.429
  398   2HE2  GLN  59          2HE2      GLN  59  -0.162  10.428   2.639
  399    H    CYS  60           H        CYS  60   3.552   8.583  -1.483
  400    HA   CYS  60           HA       CYS  60   3.527  11.210  -2.607
  401   1HB   CYS  60          1HB       CYS  60   3.874   8.769  -3.677
  402   2HB   CYS  60          2HB       CYS  60   2.156   8.955  -3.974
  Start of MODEL   17
    1   1H    ASP   1          1H        ASP   1 -21.616  -7.072  -7.401
    2    HA   ASP   1           HA       ASP   1 -22.736  -9.016  -5.725
    3   1HB   ASP   1          1HB       ASP   1 -19.783  -9.089  -5.365
    4   2HB   ASP   1          2HB       ASP   1 -20.956 -10.377  -5.184
    5    H    ARG   2           H        ARG   2 -21.644  -8.643  -3.352
    6    HA   ARG   2           HA       ARG   2 -21.560  -5.794  -3.076
    7   1HB   ARG   2          1HB       ARG   2 -21.353  -7.874  -0.850
    8   2HB   ARG   2          2HB       ARG   2 -21.876  -6.208  -0.699
    9   1HG   ARG   2          1HG       ARG   2 -23.377  -8.133  -2.507
   10   2HG   ARG   2          2HG       ARG   2 -23.692  -8.106  -0.784
   11   1HD   ARG   2          1HD       ARG   2 -25.288  -6.590  -1.739
   12   2HD   ARG   2          2HD       ARG   2 -24.070  -5.568  -1.003
   13    HE   ARG   2           HE       ARG   2 -23.463  -6.176  -3.793
   14   1HH1  ARG   2          1HH1      ARG   2 -25.318  -4.027  -1.674
   15   2HH1  ARG   2          2HH1      ARG   2 -25.408  -2.750  -2.841
   16   1HH2  ARG   2          1HH2      ARG   2 -24.379  -3.045  -4.985
   17    H    CYS   3           H        CYS   3 -19.894  -4.852  -1.429
   18    HA   CYS   3           HA       CYS   3 -17.840  -4.636  -0.620
   19   1HB   CYS   3          1HB       CYS   3 -16.779  -6.454   0.040
   20   2HB   CYS   3          2HB       CYS   3 -17.961  -7.408  -0.833
   21    H    ARG   4           H        ARG   4 -15.669  -3.994  -1.541
   22    HA   ARG   4           HA       ARG   4 -15.897  -3.728  -4.432
   23   1HB   ARG   4          1HB       ARG   4 -15.907  -1.655  -2.682
   24   2HB   ARG   4          2HB       ARG   4 -14.171  -1.842  -2.828
   25   1HG   ARG   4          1HG       ARG   4 -14.445  -0.458  -4.643
   26   2HG   ARG   4          2HG       ARG   4 -14.830  -1.954  -5.469
   27   1HD   ARG   4          1HD       ARG   4 -17.071  -0.524  -4.039
   28   2HD   ARG   4          2HD       ARG   4 -16.492   0.162  -5.543
   29    HE   ARG   4           HE       ARG   4 -16.837  -2.585  -6.053
   30   1HH1  ARG   4          1HH1      ARG   4 -18.898   0.124  -5.071
   31   2HH1  ARG   4          2HH1      ARG   4 -20.324  -0.535  -5.800
   32   1HH2  ARG   4          1HH2      ARG   4 -20.196  -2.641  -6.937
   33    H    TYR   5           H        TYR   5 -14.623  -5.531  -5.051
   34    HA   TYR   5           HA       TYR   5 -12.477  -6.617  -3.872
   35   1HB   TYR   5          1HB       TYR   5 -11.743  -6.813  -6.462
   36   2HB   TYR   5          2HB       TYR   5 -13.216  -7.592  -5.921
   37    HD1  TYR   5           1HD      TYR   5 -11.870  -4.612  -7.671
   38    HD2  TYR   5           2HD      TYR   5 -15.364  -6.888  -6.715
   39    HE1  TYR   5           1HE      TYR   5 -13.208  -3.291  -9.382
   40    HE2  TYR   5           2HE      TYR   5 -16.690  -5.559  -8.430
   41    HH   TYR   5           HH       TYR   5 -15.243  -3.688 -10.769
   42    H    THR   6           H        THR   6 -10.496  -5.964  -3.206
   43    HA   THR   6           HA       THR   6  -9.184  -3.833  -4.733
   44    HB   THR   6           HB       THR   6  -9.296  -3.886  -1.680
   45    HG1  THR   6           1HG      THR   6 -10.960  -2.166  -2.155
   46   1HG2  THR   6          1HG2      THR   6  -7.588  -2.366  -2.343
   47   2HG2  THR   6          2HG2      THR   6  -8.446  -1.915  -3.836
   48   3HG2  THR   6          3HG2      THR   6  -9.025  -1.320  -2.262
   49    H    LEU   7           H        LEU   7  -6.805  -3.632  -4.016
   50    HA   LEU   7           HA       LEU   7  -5.823  -6.378  -3.704
   51   1HB   LEU   7          1HB       LEU   7  -4.703  -3.964  -5.118
   52   2HB   LEU   7          2HB       LEU   7  -3.731  -5.374  -4.748
   53    HG   LEU   7           HG       LEU   7  -6.007  -6.409  -6.012
   54   1HD1  LEU   7          1HD1      LEU   7  -5.999  -5.137  -8.180
   55   2HD1  LEU   7          2HD1      LEU   7  -6.745  -4.289  -6.804
   56   3HD1  LEU   7          3HD1      LEU   7  -5.107  -3.845  -7.341
   57   1HD2  LEU   7          1HD2      LEU   7  -3.158  -5.923  -6.855
   58   2HD2  LEU   7          2HD2      LEU   7  -3.950  -7.441  -6.372
   59   3HD2  LEU   7          3HD2      LEU   7  -4.329  -6.703  -7.945
   60    H    CYS   8           H        CYS   8  -4.489  -6.905  -2.012
   61    HA   CYS   8           HA       CYS   8  -3.538  -4.676  -0.381
   62   1HB   CYS   8          1HB       CYS   8  -4.946  -7.144   0.657
   63   2HB   CYS   8          2HB       CYS   8  -4.082  -5.994   1.658
   64    H    CYS   9           H        CYS   9  -1.743  -5.510   1.167
   65    HA   CYS   9           HA       CYS   9  -0.200  -7.514  -0.300
   66   1HB   CYS   9          1HB       CYS   9   0.514  -5.042   1.182
   67   2HB   CYS   9          2HB       CYS   9   1.625  -6.390   1.325
   68    H    ASP  10           H        ASP  10   0.841  -9.224   0.930
   69    HA   ASP  10           HA       ASP  10  -0.643  -9.857   3.298
   70   1HB   ASP  10          1HB       ASP  10  -0.376 -11.752   1.940
   71   2HB   ASP  10          2HB       ASP  10   1.239 -11.294   1.436
   72    H    GLY  11           H        GLY  11   2.299  -8.296   2.396
   73   1HA   GLY  11          1HA       GLY  11   3.802  -7.287   3.800
   74   2HA   GLY  11          2HA       GLY  11   3.208  -8.233   5.151
   75    H    ALA  12           H        ALA  12   3.391 -10.792   3.440
   76    HA   ALA  12           HA       ALA  12   6.242 -11.030   3.021
   77   1HB   ALA  12          1HB       ALA  12   4.757 -12.581   5.177
   78   2HB   ALA  12          2HB       ALA  12   6.394 -12.969   4.595
   79   3HB   ALA  12          3HB       ALA  12   6.086 -11.422   5.421
   80    H    LEU  13           H        LEU  13   5.077 -11.156   0.848
   81    HA   LEU  13           HA       LEU  13   5.116 -13.706  -0.111
   82   1HB   LEU  13          1HB       LEU  13   3.292 -14.456   1.087
   83   2HB   LEU  13          2HB       LEU  13   2.431 -12.935   0.959
   84    HG   LEU  13           HG       LEU  13   2.657 -13.815  -1.687
   85   1HD1  LEU  13          1HD1      LEU  13   3.293 -16.010  -1.253
   86   2HD1  LEU  13          2HD1      LEU  13   2.266 -16.130   0.196
   87   3HD1  LEU  13          3HD1      LEU  13   1.524 -16.120  -1.422
   88   1HD2  LEU  13          1HD2      LEU  13   0.139 -14.451  -1.176
   89   2HD2  LEU  13          2HD2      LEU  13   0.488 -13.617   0.357
   90   3HD2  LEU  13          3HD2      LEU  13   0.694 -12.759  -1.189
   91    H    LYS  14           H        LYS  14   2.294 -11.651  -0.866
   92    HA   LYS  14           HA       LYS  14   3.606  -9.959  -2.674
   93   1HB   LYS  14          1HB       LYS  14   3.258 -10.920  -4.767
   94   2HB   LYS  14          2HB       LYS  14   3.874 -12.248  -3.804
   95   1HG   LYS  14          1HG       LYS  14   1.108 -12.385  -3.365
   96   2HG   LYS  14          2HG       LYS  14   1.215 -11.908  -5.048
   97   1HD   LYS  14          1HD       LYS  14   2.427 -14.373  -3.734
   98   2HD   LYS  14          2HD       LYS  14   1.231 -14.322  -5.014
   99   1HE   LYS  14          1HE       LYS  14   3.390 -12.850  -6.067
  100   2HE   LYS  14          2HE       LYS  14   4.169 -14.157  -5.197
  101   1HZ   LYS  14          1HZ       LYS  14   2.575 -14.297  -7.592
  102   2HZ   LYS  14          2HZ       LYS  14   3.687 -15.352  -7.039
  103    H    ALA  15           H        ALA  15   2.071  -8.530  -3.769
  104    HA   ALA  15           HA       ALA  15  -0.254  -8.152  -2.177
  105   1HB   ALA  15          1HB       ALA  15   1.287  -6.417  -3.340
  106   2HB   ALA  15          2HB       ALA  15   0.354  -6.785  -4.810
  107   3HB   ALA  15          3HB       ALA  15  -0.469  -6.130  -3.374
  108    H    VAL  16           H        VAL  16  -2.180  -9.161  -2.409
  109    HA   VAL  16           HA       VAL  16  -2.837 -10.136  -5.104
  110    HB   VAL  16           HB       VAL  16  -4.248 -11.648  -3.206
  111   1HG1  VAL  16          1HG1      VAL  16  -1.779 -12.376  -4.818
  112   2HG1  VAL  16          2HG1      VAL  16  -2.951 -13.517  -4.118
  113   3HG1  VAL  16          3HG1      VAL  16  -3.456 -12.402  -5.410
  114   1HG2  VAL  16          1HG2      VAL  16  -1.301 -11.556  -2.482
  115   2HG2  VAL  16          2HG2      VAL  16  -2.609 -10.835  -1.513
  116   3HG2  VAL  16          3HG2      VAL  16  -2.552 -12.597  -1.763
  117    H    SER  17           H        SER  17  -5.404 -10.635  -5.085
  118    HA   SER  17           HA       SER  17  -6.560  -8.150  -4.102
  119   1HB   SER  17          1HB       SER  17  -6.669  -8.351  -6.528
  120   2HB   SER  17          2HB       SER  17  -7.335  -9.969  -6.421
  121    HG   SER  17           HG       SER  17  -8.714  -7.766  -5.190
  122    H    ALA  18           H        ALA  18  -8.716  -8.221  -3.121
  123    HA   ALA  18           HA       ALA  18  -9.808 -10.835  -2.537
  124   1HB   ALA  18          1HB       ALA  18  -8.121 -10.569  -0.774
  125   2HB   ALA  18          2HB       ALA  18  -8.781  -8.969  -0.359
  126   3HB   ALA  18          3HB       ALA  18  -9.757 -10.431  -0.087
  127    H    CYS  19           H        CYS  19 -11.950 -10.572  -1.328
  128    HA   CYS  19           HA       CYS  19 -13.283  -8.287  -2.489
  129   1HB   CYS  19          1HB       CYS  19 -14.324 -10.400  -2.866
  130   2HB   CYS  19          2HB       CYS  19 -14.278 -10.811  -1.163
  131    H    LEU  20           H        LEU  20 -12.474  -6.578  -1.111
  132    HA   LEU  20           HA       LEU  20 -13.003  -6.866   1.736
  133   1HB   LEU  20          1HB       LEU  20 -11.020  -5.592   0.173
  134   2HB   LEU  20          2HB       LEU  20 -11.919  -4.319   0.974
  135    HG   LEU  20           HG       LEU  20 -11.428  -5.218   3.146
  136   1HD1  LEU  20          1HD1      LEU  20 -11.491  -7.490   3.161
  137   2HD1  LEU  20          2HD1      LEU  20 -10.633  -7.641   1.608
  138   3HD1  LEU  20          3HD1      LEU  20  -9.726  -7.270   3.094
  139   1HD2  LEU  20          1HD2      LEU  20  -9.679  -3.882   1.815
  140   2HD2  LEU  20          2HD2      LEU  20  -9.148  -4.740   3.280
  141   3HD2  LEU  20          3HD2      LEU  20  -8.808  -5.428   1.673
  142    H    HIS  21           H        HIS  21 -13.867  -4.677   2.772
  143    HA   HIS  21           HA       HIS  21 -16.020  -3.671   1.073
  144   1HB   HIS  21          1HB       HIS  21 -16.333  -4.629   3.932
  145   2HB   HIS  21          2HB       HIS  21 -17.568  -3.811   2.997
  146    HD1  HIS  21           1HD      HIS  21 -15.480  -7.019   2.813
  147    HD2  HIS  21           2HD      HIS  21 -19.182  -5.496   1.558
  148    HE1  HIS  21           1HE      HIS  21 -16.733  -8.971   1.748
  149    H    GLU  22           H        GLU  22 -17.171  -1.802   2.655
  150    HA   GLU  22           HA       GLU  22 -15.412   0.263   2.584
  151   1HB   GLU  22          1HB       GLU  22 -17.098   1.553   3.670
  152   2HB   GLU  22          2HB       GLU  22 -17.967   0.312   2.790
  153   1HG   GLU  22          1HG       GLU  22 -17.211   0.085   5.741
  154   2HG   GLU  22          2HG       GLU  22 -18.767   0.661   5.176
  155    H    SER  23           H        SER  23 -16.079  -2.062   5.221
  156    HA   SER  23           HA       SER  23 -14.470  -0.569   7.053
  157   1HB   SER  23          1HB       SER  23 -16.413  -2.712   7.189
  158   2HB   SER  23          2HB       SER  23 -14.953  -3.229   8.010
  159    HG   SER  23           HG       SER  23 -16.524  -0.858   8.538
  160    H    GLU  24           H        GLU  24 -13.545  -1.998   4.368
  161    HA   GLU  24           HA       GLU  24 -12.038  -4.106   4.636
  162   1HB   GLU  24          1HB       GLU  24 -11.419  -3.344   2.604
  163   2HB   GLU  24          2HB       GLU  24 -11.942  -1.723   3.017
  164   1HG   GLU  24          1HG       GLU  24  -9.246  -2.856   3.888
  165   2HG   GLU  24          2HG       GLU  24  -9.463  -1.981   2.385
  166    H    SER  25           H        SER  25 -10.011  -4.776   5.488
  167    HA   SER  25           HA       SER  25  -8.483  -2.835   6.942
  168   1HB   SER  25          1HB       SER  25  -8.599  -3.946   9.089
  169   2HB   SER  25          2HB       SER  25 -10.240  -3.623   8.569
  170    HG   SER  25           HG       SER  25 -10.417  -5.837   7.860
  171    H    CYS  26           H        CYS  26  -6.757  -3.329   5.505
  172    HA   CYS  26           HA       CYS  26  -5.514  -5.891   6.047
  173   1HB   CYS  26          1HB       CYS  26  -4.999  -6.152   3.586
  174   2HB   CYS  26          2HB       CYS  26  -6.628  -6.541   4.105
  175    H    LEU  27           H        LEU  27  -3.256  -5.723   4.552
  176    HA   LEU  27           HA       LEU  27  -2.089  -3.234   5.496
  177   1HB   LEU  27          1HB       LEU  27  -1.248  -5.742   5.778
  178   2HB   LEU  27          2HB       LEU  27  -0.492  -5.407   4.232
  179    HG   LEU  27           HG       LEU  27   0.671  -3.463   5.215
  180   1HD1  LEU  27          1HD1      LEU  27   0.662  -3.541   7.856
  181   2HD1  LEU  27          2HD1      LEU  27  -0.545  -2.597   6.948
  182   3HD1  LEU  27          3HD1      LEU  27  -0.973  -4.197   7.601
  183   1HD2  LEU  27          1HD2      LEU  27   1.503  -5.933   5.254
  184   2HD2  LEU  27          2HD2      LEU  27   2.379  -4.687   6.172
  185   3HD2  LEU  27          3HD2      LEU  27   1.265  -5.793   7.012
  186    H    VAL  28           H        VAL  28  -2.967  -1.747   3.969
  187    HA   VAL  28           HA       VAL  28  -2.636  -2.244   1.176
  188    HB   VAL  28           HB       VAL  28  -4.318  -0.747   2.645
  189   1HG1  VAL  28          1HG1      VAL  28  -2.268   1.228   1.585
  190   2HG1  VAL  28          2HG1      VAL  28  -3.843   1.634   2.309
  191   3HG1  VAL  28          3HG1      VAL  28  -2.580   0.867   3.301
  192   1HG2  VAL  28          1HG2      VAL  28  -5.299  -0.350   0.656
  193   2HG2  VAL  28          2HG2      VAL  28  -3.850   0.433  -0.020
  194   3HG2  VAL  28          3HG2      VAL  28  -3.977  -1.343  -0.004
  195    HA   PRO  29           HA       PRO  29   1.343  -0.612   0.747
  196   1HB   PRO  29          1HB       PRO  29   1.342   0.119  -1.887
  197   2HB   PRO  29          2HB       PRO  29   1.574  -1.535  -1.350
  198   1HG   PRO  29          1HG       PRO  29  -0.820  -0.300  -2.570
  199   2HG   PRO  29          2HG       PRO  29  -0.415  -1.999  -2.423
  200   1HD   PRO  29          1HD       PRO  29  -2.306  -0.540  -0.833
  201   2HD   PRO  29          2HD       PRO  29  -1.816  -2.209  -0.612
  202    H    GLY  30           H        GLY  30   2.539   1.385  -0.529
  203   1HA   GLY  30          1HA       GLY  30   0.941   3.784  -0.047
  204   2HA   GLY  30          2HA       GLY  30   2.362   3.556   0.952
  205    H    ASP  31           H        ASP  31   1.978   5.723  -0.940
  206    HA   ASP  31           HA       ASP  31   3.851   4.967  -3.032
  207   1HB   ASP  31          1HB       ASP  31   2.229   7.539  -2.829
  208   2HB   ASP  31          2HB       ASP  31   3.064   6.929  -4.244
  209    H    CYS  32           H        CYS  32   5.967   5.457  -2.414
  210    HA   CYS  32           HA       CYS  32   6.388   7.601  -0.525
  211   1HB   CYS  32          1HB       CYS  32   8.101   5.405  -1.647
  212   2HB   CYS  32          2HB       CYS  32   8.839   6.780  -0.852
  213    H    CYS  33           H        CYS  33   6.740   9.666  -1.260
  214    HA   CYS  33           HA       CYS  33   7.473   9.985  -4.048
  215   1HB   CYS  33          1HB       CYS  33   5.861  11.445  -2.174
  216   2HB   CYS  33          2HB       CYS  33   7.126  12.496  -2.778
  217    H    ARG  34           H        ARG  34   9.610  10.290  -4.576
  218    HA   ARG  34           HA       ARG  34  11.316  11.264  -2.428
  219   1HB   ARG  34          1HB       ARG  34  11.955   9.007  -3.121
  220   2HB   ARG  34          2HB       ARG  34  11.921   9.454  -4.814
  221   1HG   ARG  34          1HG       ARG  34  13.853  10.925  -4.546
  222   2HG   ARG  34          2HG       ARG  34  13.805  10.761  -2.802
  223   1HD   ARG  34          1HD       ARG  34  13.966   8.146  -4.177
  224   2HD   ARG  34          2HD       ARG  34  15.324   9.186  -4.557
  225    HE   ARG  34           HE       ARG  34  14.615   9.002  -1.689
  226   1HH1  ARG  34          1HH1      ARG  34  16.704   7.854  -4.311
  227   2HH1  ARG  34          2HH1      ARG  34  17.916   7.234  -3.240
  228   1HH2  ARG  34          1HH2      ARG  34  17.606   7.438  -0.872
  229    H    GLY  35           H        GLY  35  11.053  13.525  -2.902
  230   1HA   GLY  35          1HA       GLY  35  11.628  15.464  -3.890
  231   2HA   GLY  35          2HA       GLY  35  12.760  14.576  -4.891
  232    H    LYS  36           H        LYS  36  11.888  13.418  -6.851
  233    HA   LYS  36           HA       LYS  36   9.327  14.479  -7.755
  234   1HB   LYS  36          1HB       LYS  36  10.185  15.355  -9.783
  235   2HB   LYS  36          2HB       LYS  36  11.165  16.030  -8.497
  236   1HG   LYS  36          1HG       LYS  36  13.060  15.012  -9.258
  237   2HG   LYS  36          2HG       LYS  36  12.255  13.467  -9.450
  238   1HD   LYS  36          1HD       LYS  36  11.606  13.913 -11.662
  239   2HD   LYS  36          2HD       LYS  36  11.596  15.650 -11.425
  240   1HE   LYS  36          1HE       LYS  36  14.174  15.465 -11.133
  241   2HE   LYS  36          2HE       LYS  36  14.021  13.834 -11.757
  242   1HZ   LYS  36          1HZ       LYS  36  14.434  15.284 -13.597
  243   2HZ   LYS  36          2HZ       LYS  36  12.868  14.855 -13.729
  244    H    SER  37           H        SER  37  10.467  11.858  -6.747
  245    HA   SER  37           HA       SER  37   9.687  10.350  -9.106
  246   1HB   SER  37          1HB       SER  37  12.188  10.063  -7.463
  247   2HB   SER  37          2HB       SER  37  11.424   8.587  -8.020
  248    HG   SER  37           HG       SER  37  11.998  10.784  -9.807
  249    H    ARG  38           H        ARG  38   7.696   9.574  -8.454
  250    HA   ARG  38           HA       ARG  38   7.423   8.792  -5.695
  251   1HB   ARG  38          1HB       ARG  38   4.956   8.455  -6.451
  252   2HB   ARG  38          2HB       ARG  38   5.566  10.098  -6.430
  253   1HG   ARG  38          1HG       ARG  38   5.484  10.305  -8.720
  254   2HG   ARG  38          2HG       ARG  38   6.045   8.667  -8.995
  255   1HD   ARG  38          1HD       ARG  38   3.220   9.360  -8.053
  256   2HD   ARG  38          2HD       ARG  38   3.648   9.082  -9.729
  257    HE   ARG  38           HE       ARG  38   4.554   6.880  -8.090
  258   1HH1  ARG  38          1HH1      ARG  38   1.621   8.246  -9.533
  259   2HH1  ARG  38          2HH1      ARG  38   0.794   6.726  -9.596
  260   1HH2  ARG  38          1HH2      ARG  38   1.896   4.756  -8.791
  261    H    LEU  39           H        LEU  39   6.792   6.634  -5.053
  262    HA   LEU  39           HA       LEU  39   6.596   4.638  -7.147
  263   1HB   LEU  39          1HB       LEU  39   8.758   4.149  -7.018
  264   2HB   LEU  39          2HB       LEU  39   8.988   5.076  -5.549
  265    HG   LEU  39           HG       LEU  39   7.573   2.470  -5.272
  266   1HD1  LEU  39          1HD1      LEU  39   9.776   1.267  -5.178
  267   2HD1  LEU  39          2HD1      LEU  39   9.251   1.757  -6.807
  268   3HD1  LEU  39          3HD1      LEU  39  10.511   2.686  -5.962
  269   1HD2  LEU  39          1HD2      LEU  39   9.164   4.323  -3.636
  270   2HD2  LEU  39          2HD2      LEU  39   7.866   3.195  -3.174
  271   3HD2  LEU  39          3HD2      LEU  39   9.533   2.603  -3.365
  272    H    THR  40           H        THR  40   5.059   3.151  -6.634
  273    HA   THR  40           HA       THR  40   4.097   3.208  -3.854
  274    HB   THR  40           HB       THR  40   2.630   2.296  -6.377
  275    HG1  THR  40           1HG      THR  40   2.223   4.479  -6.648
  276   1HG2  THR  40          1HG2      THR  40   1.614   1.661  -4.150
  277   2HG2  THR  40          2HG2      THR  40   1.653   3.378  -3.681
  278   3HG2  THR  40          3HG2      THR  40   0.625   2.847  -5.035
  279    H    LEU  41           H        LEU  41   4.765   1.582  -2.612
  280    HA   LEU  41           HA       LEU  41   4.571  -1.094  -3.671
  281   1HB   LEU  41          1HB       LEU  41   6.733  -1.677  -3.725
  282   2HB   LEU  41          2HB       LEU  41   6.932   0.019  -4.117
  283    HG   LEU  41           HG       LEU  41   7.059   0.024  -1.353
  284   1HD1  LEU  41          1HD1      LEU  41   8.050  -1.813  -0.498
  285   2HD1  LEU  41          2HD1      LEU  41   7.255  -2.618  -1.872
  286   3HD1  LEU  41          3HD1      LEU  41   8.967  -2.150  -1.986
  287   1HD2  LEU  41          1HD2      LEU  41   8.820   0.464  -3.619
  288   2HD2  LEU  41          2HD2      LEU  41   8.722   1.320  -2.061
  289   3HD2  LEU  41          3HD2      LEU  41   9.708  -0.156  -2.205
  290    H    CYS  42           H        CYS  42   5.322  -2.671  -1.749
  291    HA   CYS  42           HA       CYS  42   3.931  -1.609   0.579
  292   1HB   CYS  42          1HB       CYS  42   4.662  -4.487   0.042
  293   2HB   CYS  42          2HB       CYS  42   3.528  -3.868   1.226
  294    H    SER  43           H        SER  43   5.229  -0.835   2.206
  295    HA   SER  43           HA       SER  43   7.473  -2.392   3.007
  296   1HB   SER  43          1HB       SER  43   9.095  -0.472   2.856
  297   2HB   SER  43          2HB       SER  43   8.603  -1.104   1.297
  298    HG   SER  43           HG       SER  43   6.821   0.816   1.920
  299    H    TYR  44           H        TYR  44   6.483  -2.568   5.053
  300    HA   TYR  44           HA       TYR  44   5.858  -0.035   6.400
  301   1HB   TYR  44          1HB       TYR  44   5.224  -2.817   7.445
  302   2HB   TYR  44          2HB       TYR  44   4.250  -1.367   7.575
  303    HD1  TYR  44           1HD      TYR  44   5.022  -4.303   5.547
  304    HD2  TYR  44           2HD      TYR  44   2.830  -0.631   5.672
  305    HE1  TYR  44           1HE      TYR  44   3.585  -5.087   3.601
  306    HE2  TYR  44           2HE      TYR  44   1.401  -1.426   3.725
  307    HH   TYR  44           HH       TYR  44   1.758  -3.070   1.785
  308    H    GLY  45           H        GLY  45   6.148  -0.319   8.944
  309   1HA   GLY  45          1HA       GLY  45   8.003  -1.963  10.097
  310   2HA   GLY  45          2HA       GLY  45   8.960  -0.698   9.355
  311    H    GLU  46           H        GLU  46   9.631   0.114  11.438
  312    HA   GLU  46           HA       GLU  46   8.221   0.637  13.592
  313   1HB   GLU  46          1HB       GLU  46   9.656   2.868  13.692
  314   2HB   GLU  46          2HB       GLU  46  10.438   1.301  13.769
  315   1HG   GLU  46          1HG       GLU  46   9.979   2.382  11.014
  316   2HG   GLU  46          2HG       GLU  46  11.138   3.264  11.989
  317    H    GLY  47           H        GLY  47   6.589   1.996  14.328
  318   1HA   GLY  47          1HA       GLY  47   5.235   3.866  14.305
  319   2HA   GLY  47          2HA       GLY  47   5.789   4.274  12.693
  320    H    GLY  48           H        GLY  48   3.262   2.869  14.546
  321   1HA   GLY  48          1HA       GLY  48   2.204   1.175  12.453
  322   2HA   GLY  48          2HA       GLY  48   1.490   1.530  14.013
  323    H    ASN  49           H        ASN  49   2.614   3.752  11.371
  324    HA   ASN  49           HA       ASN  49  -0.021   4.958  11.498
  325   1HB   ASN  49          1HB       ASN  49   2.468   6.130  11.566
  326   2HB   ASN  49          2HB       ASN  49   2.157   6.199   9.843
  327   1HD2  ASN  49          1HD2      ASN  49   1.021   7.818   9.084
  328   2HD2  ASN  49          2HD2      ASN  49  -0.004   8.887   9.981
  329    H    GLY  50           H        GLY  50   0.662   2.375  10.082
  330   1HA   GLY  50          1HA       GLY  50  -0.235   1.475   8.170
  331   2HA   GLY  50          2HA       GLY  50  -0.419   3.073   7.477
  332    H    PHE  51           H        PHE  51   1.469   4.172   6.539
  333    HA   PHE  51           HA       PHE  51   3.354   2.214   5.503
  334   1HB   PHE  51          1HB       PHE  51   1.855   4.293   4.411
  335   2HB   PHE  51          2HB       PHE  51   3.368   5.124   4.712
  336    HD1  PHE  51           1HD      PHE  51   2.827   1.599   3.641
  337    HD2  PHE  51           2HD      PHE  51   4.270   5.449   2.592
  338    HE1  PHE  51           1HE      PHE  51   3.763   0.666   1.508
  339    HE2  PHE  51           2HE      PHE  51   5.207   4.517   0.458
  340    HZ   PHE  51           HZ       PHE  51   4.942   2.136  -0.058
  341    H    GLN  52           H        GLN  52   5.685   2.967   5.207
  342    HA   GLN  52           HA       GLN  52   6.502   4.889   7.191
  343   1HB   GLN  52          1HB       GLN  52   6.414   2.458   8.178
  344   2HB   GLN  52          2HB       GLN  52   7.841   2.168   7.204
  345   1HG   GLN  52          1HG       GLN  52   8.490   2.871   9.480
  346   2HG   GLN  52          2HG       GLN  52   9.009   4.065   8.307
  347   1HE2  GLN  52          1HE2      GLN  52   8.982   5.881   9.451
  348   2HE2  GLN  52          2HE2      GLN  52   7.602   6.571  10.239
  349    H    CYS  53           H        CYS  53   6.887   5.978   5.047
  350    HA   CYS  53           HA       CYS  53   8.548   4.997   3.107
  351   1HB   CYS  53          1HB       CYS  53   7.842   7.754   4.037
  352   2HB   CYS  53          2HB       CYS  53   9.118   7.559   2.851
  353    HA   PRO  54           HA       PRO  54  12.356   4.934   5.276
  354   1HB   PRO  54          1HB       PRO  54  13.974   4.147   3.218
  355   2HB   PRO  54          2HB       PRO  54  13.035   3.024   4.181
  356   1HG   PRO  54          1HG       PRO  54  12.535   3.972   1.426
  357   2HG   PRO  54          2HG       PRO  54  11.878   2.565   2.239
  358   1HD   PRO  54          1HD       PRO  54  10.529   5.047   1.745
  359   2HD   PRO  54          2HD       PRO  54   9.914   3.684   2.659
  360    H    THR  55           H        THR  55  14.814   5.642   4.756
  361    HA   THR  55           HA       THR  55  14.645   8.441   4.699
  362    HB   THR  55           HB       THR  55  16.423   6.827   5.728
  363    HG1  THR  55           1HG      THR  55  16.452   9.268   5.390
  364   1HG2  THR  55          1HG2      THR  55  16.866   5.951   3.194
  365   2HG2  THR  55          2HG2      THR  55  17.960   7.356   3.191
  366   3HG2  THR  55          3HG2      THR  55  18.179   6.060   4.392
  367    H    GLY  56           H        GLY  56  14.823   9.976   3.142
  368   1HA   GLY  56          1HA       GLY  56  15.350  10.824   1.072
  369   2HA   GLY  56          2HA       GLY  56  15.723   9.216   0.483
  370    H    TYR  57           H        TYR  57  12.862   8.769   2.108
  371    HA   TYR  57           HA       TYR  57  11.264   9.445  -0.270
  372   1HB   TYR  57          1HB       TYR  57  11.443   7.029   1.611
  373   2HB   TYR  57          2HB       TYR  57   9.977   7.308   0.694
  374    HD1  TYR  57           1HD      TYR  57  13.136   5.724   0.678
  375    HD2  TYR  57           2HD      TYR  57  10.307   7.616  -1.915
  376    HE1  TYR  57           1HE      TYR  57  14.144   4.513  -1.318
  377    HE2  TYR  57           2HE      TYR  57  11.325   6.399  -3.901
  378    HH   TYR  57           HH       TYR  57  13.498   3.809  -3.508
  379    H    ARG  58           H        ARG  58   9.091  10.121   0.090
  380    HA   ARG  58           HA       ARG  58   8.321  10.409   2.851
  381   1HB   ARG  58          1HB       ARG  58   8.939  12.671   0.962
  382   2HB   ARG  58          2HB       ARG  58   7.531  12.869   1.986
  383   1HG   ARG  58          1HG       ARG  58   8.840  13.346   3.773
  384   2HG   ARG  58          2HG       ARG  58   9.682  11.817   3.609
  385   1HD   ARG  58          1HD       ARG  58  11.517  13.090   3.116
  386   2HD   ARG  58          2HD       ARG  58  10.799  13.260   1.526
  387    HE   ARG  58           HE       ARG  58  10.096  15.463   2.071
  388   1HH1  ARG  58          1HH1      ARG  58  11.497  13.863   4.905
  389   2HH1  ARG  58          2HH1      ARG  58  11.619  15.326   5.824
  390   1HH2  ARG  58          1HH2      ARG  58  10.884  17.389   4.851
  391    H    GLN  59           H        GLN  59   6.183   9.788   3.033
  392    HA   GLN  59           HA       GLN  59   4.706   8.757   1.121
  393   1HB   GLN  59          1HB       GLN  59   3.877  10.344   3.566
  394   2HB   GLN  59          2HB       GLN  59   2.658   9.646   2.518
  395   1HG   GLN  59          1HG       GLN  59   3.293   7.433   3.008
  396   2HG   GLN  59          2HG       GLN  59   4.935   7.881   3.424
  397   1HE2  GLN  59          1HE2      GLN  59   5.054   9.508   5.308
  398   2HE2  GLN  59          2HE2      GLN  59   4.114   9.126   6.712
  399    H    CYS  60           H        CYS  60   3.647   9.376  -0.728
  400    HA   CYS  60           HA       CYS  60   3.793  12.134  -1.460
  401   1HB   CYS  60          1HB       CYS  60   3.952   9.843  -2.872
  402   2HB   CYS  60          2HB       CYS  60   2.258  10.214  -3.124
  Start of MODEL   18
    1   1H    ASP   1          1H        ASP   1 -19.302 -13.820  -3.479
    2    HA   ASP   1           HA       ASP   1 -21.458 -13.491  -3.761
    3   1HB   ASP   1          1HB       ASP   1 -21.329 -13.419  -0.909
    4   2HB   ASP   1          2HB       ASP   1 -22.232 -11.992  -1.378
    5    H    ARG   2           H        ARG   2 -20.003 -10.903  -1.639
    6    HA   ARG   2           HA       ARG   2 -20.160  -9.070  -3.811
    7   1HB   ARG   2          1HB       ARG   2 -21.345  -7.705  -1.524
    8   2HB   ARG   2          2HB       ARG   2 -21.975  -7.857  -3.152
    9   1HG   ARG   2          1HG       ARG   2 -22.931 -10.077  -2.617
   10   2HG   ARG   2          2HG       ARG   2 -22.217 -10.030  -1.018
   11   1HD   ARG   2          1HD       ARG   2 -23.656  -8.244  -0.300
   12   2HD   ARG   2          2HD       ARG   2 -24.115  -7.837  -1.942
   13    HE   ARG   2           HE       ARG   2 -24.909 -10.516  -1.569
   14   1HH1  ARG   2          1HH1      ARG   2 -25.677  -7.373  -0.123
   15   2HH1  ARG   2          2HH1      ARG   2 -27.289  -7.829   0.315
   16   1HH2  ARG   2          1HH2      ARG   2 -28.066 -10.036  -0.204
   17    H    CYS   3           H        CYS   3 -18.685  -7.293  -3.514
   18    HA   CYS   3           HA       CYS   3 -17.642  -6.525  -1.071
   19   1HB   CYS   3          1HB       CYS   3 -15.746  -7.690  -0.684
   20   2HB   CYS   3          2HB       CYS   3 -16.701  -8.966  -1.411
   21    H    ARG   4           H        ARG   4 -15.725  -4.999  -1.453
   22    HA   ARG   4           HA       ARG   4 -16.000  -3.929  -4.129
   23   1HB   ARG   4          1HB       ARG   4 -15.115  -1.820  -3.157
   24   2HB   ARG   4          2HB       ARG   4 -16.494  -2.391  -2.237
   25   1HG   ARG   4          1HG       ARG   4 -14.332  -3.664  -0.985
   26   2HG   ARG   4          2HG       ARG   4 -13.675  -2.095  -1.402
   27   1HD   ARG   4          1HD       ARG   4 -14.723  -2.017   0.839
   28   2HD   ARG   4          2HD       ARG   4 -15.583  -0.966  -0.269
   29    HE   ARG   4           HE       ARG   4 -16.541  -3.605   0.738
   30   1HH1  ARG   4          1HH1      ARG   4 -17.165  -0.672  -1.149
   31   2HH1  ARG   4          2HH1      ARG   4 -18.872  -0.949  -1.247
   32   1HH2  ARG   4          1HH2      ARG   4 -19.807  -2.895  -0.205
   33    H    TYR   5           H        TYR   5 -14.497  -5.879  -4.719
   34    HA   TYR   5           HA       TYR   5 -12.005  -6.354  -3.944
   35   1HB   TYR   5          1HB       TYR   5 -13.177  -5.878  -6.750
   36   2HB   TYR   5          2HB       TYR   5 -11.609  -6.628  -6.527
   37    HD1  TYR   5           1HD      TYR   5 -15.246  -7.061  -6.091
   38    HD2  TYR   5           2HD      TYR   5 -11.407  -8.917  -5.738
   39    HE1  TYR   5           1HE      TYR   5 -16.359  -9.334  -5.855
   40    HE2  TYR   5           2HE      TYR   5 -12.533 -11.183  -5.503
   41    HH   TYR   5           HH       TYR   5 -16.073 -11.441  -5.440
   42    H    THR   6           H        THR   6 -10.239  -5.152  -3.476
   43    HA   THR   6           HA       THR   6  -9.540  -2.983  -5.295
   44    HB   THR   6           HB       THR   6 -10.757  -1.713  -3.680
   45    HG1  THR   6           1HG      THR   6  -8.931  -0.738  -2.508
   46   1HG2  THR   6          1HG2      THR   6 -10.801  -3.785  -2.012
   47   2HG2  THR   6          2HG2      THR   6  -9.315  -3.048  -1.366
   48   3HG2  THR   6          3HG2      THR   6 -10.843  -2.134  -1.350
   49    H    LEU   7           H        LEU   7  -7.290  -2.060  -4.579
   50    HA   LEU   7           HA       LEU   7  -5.624  -4.417  -4.272
   51   1HB   LEU   7          1HB       LEU   7  -5.318  -1.685  -5.398
   52   2HB   LEU   7          2HB       LEU   7  -3.883  -2.433  -4.725
   53    HG   LEU   7           HG       LEU   7  -4.778  -4.475  -6.267
   54   1HD1  LEU   7          1HD1      LEU   7  -5.206  -2.876  -8.479
   55   2HD1  LEU   7          2HD1      LEU   7  -6.440  -3.806  -7.593
   56   3HD1  LEU   7          3HD1      LEU   7  -6.175  -2.088  -7.210
   57   1HD2  LEU   7          1HD2      LEU   7  -2.832  -4.182  -7.339
   58   2HD2  LEU   7          2HD2      LEU   7  -3.222  -2.510  -7.810
   59   3HD2  LEU   7          3HD2      LEU   7  -2.586  -2.850  -6.184
   60    H    CYS   8           H        CYS   8  -4.722  -4.991  -2.372
   61    HA   CYS   8           HA       CYS   8  -4.194  -2.861  -0.455
   62   1HB   CYS   8          1HB       CYS   8  -5.885  -5.302   0.036
   63   2HB   CYS   8          2HB       CYS   8  -4.997  -4.542   1.341
   64    H    CYS   9           H        CYS   9  -2.786  -3.914   1.431
   65    HA   CYS   9           HA       CYS   9  -0.824  -5.590   0.077
   66   1HB   CYS   9          1HB       CYS   9  -0.598  -3.852   2.542
   67   2HB   CYS   9          2HB       CYS   9   0.685  -4.881   1.935
   68    H    ASP  10           H        ASP  10  -0.552  -7.716   0.725
   69    HA   ASP  10           HA       ASP  10  -2.282  -8.620   2.828
   70   1HB   ASP  10          1HB       ASP  10  -2.350 -10.110   1.024
   71   2HB   ASP  10          2HB       ASP  10  -0.659  -9.875   0.627
   72    H    GLY  11           H        GLY  11   0.922  -7.476   2.437
   73   1HA   GLY  11          1HA       GLY  11   2.529  -7.248   4.044
   74   2HA   GLY  11          2HA       GLY  11   1.682  -8.380   5.079
   75    H    ALA  12           H        ALA  12   1.481 -10.278   2.591
   76    HA   ALA  12           HA       ALA  12   4.260 -11.028   2.271
   77   1HB   ALA  12          1HB       ALA  12   2.682 -12.167   4.326
   78   2HB   ALA  12          2HB       ALA  12   2.740 -13.381   3.025
   79   3HB   ALA  12          3HB       ALA  12   4.251 -12.747   3.719
   80    H    LEU  13           H        LEU  13   3.889 -10.487   0.055
   81    HA   LEU  13           HA       LEU  13   3.435 -12.352  -1.710
   82   1HB   LEU  13          1HB       LEU  13   1.393 -13.155  -1.105
   83   2HB   LEU  13          2HB       LEU  13   0.803 -11.599  -0.555
   84    HG   LEU  13           HG       LEU  13   0.580 -10.874  -2.930
   85   1HD1  LEU  13          1HD1      LEU  13   2.325 -12.706  -3.645
   86   2HD1  LEU  13          2HD1      LEU  13   0.870 -13.717  -3.824
   87   3HD1  LEU  13          3HD1      LEU  13   1.021 -12.203  -4.747
   88   1HD2  LEU  13          1HD2      LEU  13  -1.536 -11.596  -2.939
   89   2HD2  LEU  13          2HD2      LEU  13  -1.055 -13.310  -2.945
   90   3HD2  LEU  13          3HD2      LEU  13  -1.117 -12.409  -1.411
   91    H    LYS  14           H        LYS  14   2.841  -9.056  -0.656
   92    HA   LYS  14           HA       LYS  14   3.688  -7.235  -1.735
   93   1HB   LYS  14          1HB       LYS  14   4.703  -8.959  -3.442
   94   2HB   LYS  14          2HB       LYS  14   3.356  -8.476  -4.452
   95   1HG   LYS  14          1HG       LYS  14   5.136  -6.986  -5.033
   96   2HG   LYS  14          2HG       LYS  14   4.056  -6.037  -4.031
   97   1HD   LYS  14          1HD       LYS  14   5.937  -7.387  -2.297
   98   2HD   LYS  14          2HD       LYS  14   6.840  -6.619  -3.587
   99   1HE   LYS  14          1HE       LYS  14   5.084  -4.599  -2.983
  100   2HE   LYS  14          2HE       LYS  14   5.197  -5.374  -1.415
  101   1HZ   LYS  14          1HZ       LYS  14   7.790  -5.258  -2.218
  102   2HZ   LYS  14          2HZ       LYS  14   7.206  -3.861  -2.816
  103    H    ALA  15           H        ALA  15   2.423  -5.445  -2.125
  104    HA   ALA  15           HA       ALA  15  -0.221  -5.466  -1.835
  105   1HB   ALA  15          1HB       ALA  15   0.351  -3.452  -3.796
  106   2HB   ALA  15          2HB       ALA  15   0.191  -3.269  -2.033
  107   3HB   ALA  15          3HB       ALA  15   1.780  -3.631  -2.749
  108    H    VAL  16           H        VAL  16  -1.880  -6.481  -2.834
  109    HA   VAL  16           HA       VAL  16  -1.904  -6.509  -5.738
  110    HB   VAL  16           HB       VAL  16  -0.812  -8.631  -4.646
  111   1HG1  VAL  16          1HG1      VAL  16  -2.537  -9.120  -3.023
  112   2HG1  VAL  16          2HG1      VAL  16  -3.778  -9.178  -4.298
  113   3HG1  VAL  16          3HG1      VAL  16  -2.503 -10.418  -4.240
  114   1HG2  VAL  16          1HG2      VAL  16  -1.090  -9.578  -6.672
  115   2HG2  VAL  16          2HG2      VAL  16  -2.866  -9.508  -6.573
  116   3HG2  VAL  16          3HG2      VAL  16  -1.946  -8.070  -7.075
  117    H    SER  17           H        SER  17  -4.178  -7.886  -6.250
  118    HA   SER  17           HA       SER  17  -6.106  -6.167  -5.064
  119   1HB   SER  17          1HB       SER  17  -6.552  -8.504  -6.973
  120   2HB   SER  17          2HB       SER  17  -7.671  -7.194  -6.653
  121    HG   SER  17           HG       SER  17  -5.138  -6.305  -7.455
  122    H    ALA  18           H        ALA  18  -7.915  -6.803  -3.744
  123    HA   ALA  18           HA       ALA  18  -7.972  -9.568  -2.845
  124   1HB   ALA  18          1HB       ALA  18  -7.226  -9.176  -0.748
  125   2HB   ALA  18          2HB       ALA  18  -6.556  -7.663  -1.401
  126   3HB   ALA  18          3HB       ALA  18  -8.152  -7.662  -0.612
  127    H    CYS  19           H        CYS  19 -10.004 -10.040  -1.628
  128    HA   CYS  19           HA       CYS  19 -12.097  -8.202  -2.527
  129   1HB   CYS  19          1HB       CYS  19 -12.141 -10.471  -3.508
  130   2HB   CYS  19          2HB       CYS  19 -12.297 -11.156  -1.903
  131    H    LEU  20           H        LEU  20 -12.096  -6.799  -0.696
  132    HA   LEU  20           HA       LEU  20 -12.699  -8.131   1.853
  133   1HB   LEU  20          1HB       LEU  20 -11.410  -6.664   2.970
  134   2HB   LEU  20          2HB       LEU  20 -10.543  -6.677   1.448
  135    HG   LEU  20           HG       LEU  20 -12.521  -4.643   1.250
  136   1HD1  LEU  20          1HD1      LEU  20 -12.458  -3.379   3.137
  137   2HD1  LEU  20          2HD1      LEU  20 -12.253  -4.983   3.881
  138   3HD1  LEU  20          3HD1      LEU  20 -10.835  -3.943   3.603
  139   1HD2  LEU  20          1HD2      LEU  20 -10.661  -4.229   0.006
  140   2HD2  LEU  20          2HD2      LEU  20 -10.269  -3.240   1.432
  141   3HD2  LEU  20          3HD2      LEU  20  -9.548  -4.856   1.245
  142    H    HIS  21           H        HIS  21 -14.098  -6.684   3.336
  143    HA   HIS  21           HA       HIS  21 -16.226  -5.598   1.648
  144   1HB   HIS  21          1HB       HIS  21 -16.538  -6.437   4.527
  145   2HB   HIS  21          2HB       HIS  21 -17.778  -6.229   3.306
  146    HD1  HIS  21           1HD      HIS  21 -17.692  -8.869   4.825
  147    HD2  HIS  21           2HD      HIS  21 -15.623  -8.222   1.232
  148    HE1  HIS  21           1HE      HIS  21 -17.289 -11.174   3.805
  149    H    GLU  22           H        GLU  22 -17.575  -3.835   2.926
  150    HA   GLU  22           HA       GLU  22 -15.758  -1.738   3.372
  151   1HB   GLU  22          1HB       GLU  22 -18.262  -1.773   2.468
  152   2HB   GLU  22          2HB       GLU  22 -18.669  -1.566   4.160
  153   1HG   GLU  22          1HG       GLU  22 -18.204   0.644   4.003
  154   2HG   GLU  22          2HG       GLU  22 -16.536   0.266   3.617
  155    H    SER  23           H        SER  23 -17.493  -4.042   5.432
  156    HA   SER  23           HA       SER  23 -17.122  -2.505   7.787
  157   1HB   SER  23          1HB       SER  23 -18.560  -4.867   6.999
  158   2HB   SER  23          2HB       SER  23 -17.551  -5.301   8.363
  159    HG   SER  23           HG       SER  23 -18.712  -4.044   9.687
  160    H    GLU  24           H        GLU  24 -14.927  -3.944   5.800
  161    HA   GLU  24           HA       GLU  24 -13.216  -4.607   8.062
  162   1HB   GLU  24          1HB       GLU  24 -14.111  -6.605   6.605
  163   2HB   GLU  24          2HB       GLU  24 -12.968  -6.043   5.403
  164   1HG   GLU  24          1HG       GLU  24 -11.703  -7.619   6.627
  165   2HG   GLU  24          2HG       GLU  24 -11.200  -6.093   7.327
  166    H    SER  25           H        SER  25 -10.895  -4.197   7.691
  167    HA   SER  25           HA       SER  25 -10.488  -2.374   5.450
  168   1HB   SER  25          1HB       SER  25 -10.191  -1.905   8.319
  169   2HB   SER  25          2HB       SER  25  -8.662  -1.656   7.501
  170    HG   SER  25           HG       SER  25  -9.703  -0.157   6.061
  171    H    CYS  26           H        CYS  26  -8.037  -2.129   4.933
  172    HA   CYS  26           HA       CYS  26  -6.585  -4.560   5.630
  173   1HB   CYS  26          1HB       CYS  26  -5.787  -4.485   3.144
  174   2HB   CYS  26          2HB       CYS  26  -7.257  -5.325   3.597
  175    H    LEU  27           H        LEU  27  -4.195  -4.179   4.486
  176    HA   LEU  27           HA       LEU  27  -3.384  -1.584   5.528
  177   1HB   LEU  27          1HB       LEU  27  -2.396  -3.957   6.082
  178   2HB   LEU  27          2HB       LEU  27  -1.491  -3.707   4.602
  179    HG   LEU  27           HG       LEU  27  -0.381  -1.791   5.475
  180   1HD1  LEU  27          1HD1      LEU  27  -0.917  -1.076   7.907
  181   2HD1  LEU  27          2HD1      LEU  27  -1.972  -0.519   6.585
  182   3HD1  LEU  27          3HD1      LEU  27  -2.484  -1.872   7.624
  183   1HD2  LEU  27          1HD2      LEU  27  -0.452  -4.251   7.126
  184   2HD2  LEU  27          2HD2      LEU  27   0.904  -3.458   6.290
  185   3HD2  LEU  27          3HD2      LEU  27   0.334  -2.831   7.855
  186    H    VAL  28           H        VAL  28  -3.805  -0.037   3.980
  187    HA   VAL  28           HA       VAL  28  -3.439  -0.541   1.222
  188    HB   VAL  28           HB       VAL  28  -3.807   1.966   2.864
  189   1HG1  VAL  28          1HG1      VAL  28  -2.574   2.187   0.567
  190   2HG1  VAL  28          2HG1      VAL  28  -4.188   1.887  -0.120
  191   3HG1  VAL  28          3HG1      VAL  28  -3.924   3.281   0.954
  192   1HG2  VAL  28          1HG2      VAL  28  -6.061   1.799   2.437
  193   2HG2  VAL  28          2HG2      VAL  28  -5.824   0.886   0.928
  194   3HG2  VAL  28          3HG2      VAL  28  -5.628   0.073   2.499
  195    HA   PRO  29           HA       PRO  29   0.813   0.201   0.934
  196   1HB   PRO  29          1HB       PRO  29   1.045   0.659  -1.751
  197   2HB   PRO  29          2HB       PRO  29   0.944  -0.948  -1.058
  198   1HG   PRO  29          1HG       PRO  29  -1.129   0.579  -2.511
  199   2HG   PRO  29          2HG       PRO  29  -1.055  -1.143  -2.191
  200   1HD   PRO  29          1HD       PRO  29  -2.697   0.784  -0.842
  201   2HD   PRO  29          2HD       PRO  29  -2.536  -0.915  -0.447
  202    H    GLY  30           H        GLY  30   2.386   1.817  -0.504
  203   1HA   GLY  30          1HA       GLY  30   1.251   4.502  -0.259
  204   2HA   GLY  30          2HA       GLY  30   2.616   4.106   0.767
  205    H    ASP  31           H        ASP  31   2.511   6.107  -1.403
  206    HA   ASP  31           HA       ASP  31   4.328   4.850  -3.299
  207   1HB   ASP  31          1HB       ASP  31   2.859   7.518  -3.527
  208   2HB   ASP  31          2HB       ASP  31   3.804   6.755  -4.790
  209    H    CYS  32           H        CYS  32   6.462   5.237  -2.665
  210    HA   CYS  32           HA       CYS  32   7.033   7.605  -1.116
  211   1HB   CYS  32          1HB       CYS  32   8.467   5.063  -1.744
  212   2HB   CYS  32          2HB       CYS  32   9.426   6.468  -1.328
  213    H    CYS  33           H        CYS  33   7.690   9.486  -2.100
  214    HA   CYS  33           HA       CYS  33   8.679   9.244  -4.841
  215   1HB   CYS  33          1HB       CYS  33   7.068  11.314  -3.413
  216   2HB   CYS  33          2HB       CYS  33   8.148  11.840  -4.689
  217    H    ARG  34           H        ARG  34  10.735  10.090  -5.339
  218    HA   ARG  34           HA       ARG  34  12.051  11.578  -3.245
  219   1HB   ARG  34          1HB       ARG  34  12.952   9.466  -2.684
  220   2HB   ARG  34          2HB       ARG  34  12.914   8.893  -4.340
  221   1HG   ARG  34          1HG       ARG  34  15.243   9.386  -3.504
  222   2HG   ARG  34          2HG       ARG  34  14.821  10.278  -4.953
  223   1HD   ARG  34          1HD       ARG  34  15.436  12.159  -3.825
  224   2HD   ARG  34          2HD       ARG  34  13.950  11.984  -2.912
  225    HE   ARG  34           HE       ARG  34  15.560  10.336  -1.493
  226   1HH1  ARG  34          1HH1      ARG  34  16.219  13.572  -2.779
  227   2HH1  ARG  34          2HH1      ARG  34  17.351  13.972  -1.530
  228   1HH2  ARG  34          1HH2      ARG  34  17.826  12.366   0.183
  229    H    GLY  35           H        GLY  35  13.191  13.300  -4.127
  230   1HA   GLY  35          1HA       GLY  35  13.976  14.709  -5.695
  231   2HA   GLY  35          2HA       GLY  35  14.760  13.299  -6.378
  232    H    LYS  36           H        LYS  36  13.936  12.302  -8.253
  233    HA   LYS  36           HA       LYS  36  11.453  13.455  -9.302
  234   1HB   LYS  36          1HB       LYS  36  12.490  13.588 -11.536
  235   2HB   LYS  36          2HB       LYS  36  13.242  14.667 -10.378
  236   1HG   LYS  36          1HG       LYS  36  15.089  13.043 -10.024
  237   2HG   LYS  36          2HG       LYS  36  14.324  11.905 -11.113
  238   1HD   LYS  36          1HD       LYS  36  15.751  12.897 -12.636
  239   2HD   LYS  36          2HD       LYS  36  14.408  14.013 -12.796
  240   1HE   LYS  36          1HE       LYS  36  15.450  15.552 -11.148
  241   2HE   LYS  36          2HE       LYS  36  16.762  14.419 -10.887
  242   1HZ   LYS  36          1HZ       LYS  36  16.169  15.869 -13.406
  243   2HZ   LYS  36          2HZ       LYS  36  17.500  16.021 -12.480
  244    H    SER  37           H        SER  37  11.408  11.128  -7.869
  245    HA   SER  37           HA       SER  37  10.746   9.287  -9.957
  246   1HB   SER  37          1HB       SER  37  12.996   8.802  -8.001
  247   2HB   SER  37          2HB       SER  37  12.013   7.443  -8.507
  248    HG   SER  37           HG       SER  37  13.685   7.533  -9.989
  249    H    ARG  38           H        ARG  38   9.399   7.454  -9.096
  250    HA   ARG  38           HA       ARG  38   8.539   7.858  -6.373
  251   1HB   ARG  38          1HB       ARG  38   6.958   9.217  -7.696
  252   2HB   ARG  38          2HB       ARG  38   6.670   7.882  -8.795
  253   1HG   ARG  38          1HG       ARG  38   5.770   6.534  -6.845
  254   2HG   ARG  38          2HG       ARG  38   5.963   7.944  -5.823
  255   1HD   ARG  38          1HD       ARG  38   3.701   8.102  -6.491
  256   2HD   ARG  38          2HD       ARG  38   4.500   9.193  -7.605
  257    HE   ARG  38           HE       ARG  38   4.558   6.691  -8.873
  258   1HH1  ARG  38          1HH1      ARG  38   2.040   8.866  -7.657
  259   2HH1  ARG  38          2HH1      ARG  38   0.859   8.346  -8.812
  260   1HH2  ARG  38          1HH2      ARG  38   1.446   6.662 -10.414
  261    H    LEU  39           H        LEU  39   7.454   5.935  -5.468
  262    HA   LEU  39           HA       LEU  39   7.256   3.619  -7.180
  263   1HB   LEU  39          1HB       LEU  39   9.445   3.181  -6.760
  264   2HB   LEU  39          2HB       LEU  39   9.450   4.018  -5.221
  265    HG   LEU  39           HG       LEU  39   7.940   1.434  -5.506
  266   1HD1  LEU  39          1HD1      LEU  39  10.517   1.468  -6.292
  267   2HD1  LEU  39          2HD1      LEU  39  10.735   1.249  -4.539
  268   3HD1  LEU  39          3HD1      LEU  39   9.752   0.089  -5.465
  269   1HD2  LEU  39          1HD2      LEU  39   9.457   1.984  -3.060
  270   2HD2  LEU  39          2HD2      LEU  39   8.234   3.221  -3.436
  271   3HD2  LEU  39          3HD2      LEU  39   7.755   1.514  -3.281
  272    H    THR  40           H        THR  40   5.605   2.296  -6.515
  273    HA   THR  40           HA       THR  40   4.421   2.977  -3.904
  274    HB   THR  40           HB       THR  40   3.066   1.861  -6.412
  275    HG1  THR  40           1HG      THR  40   2.914   4.019  -6.958
  276   1HG2  THR  40          1HG2      THR  40   1.774   1.534  -4.295
  277   2HG2  THR  40          2HG2      THR  40   2.001   3.254  -3.898
  278   3HG2  THR  40          3HG2      THR  40   1.020   2.788  -5.309
  279    H    LEU  41           H        LEU  41   4.858   1.522  -2.377
  280    HA   LEU  41           HA       LEU  41   4.387  -1.255  -3.000
  281   1HB   LEU  41          1HB       LEU  41   6.460  -2.065  -2.865
  282   2HB   LEU  41          2HB       LEU  41   6.902  -0.462  -3.422
  283    HG   LEU  41           HG       LEU  41   6.848  -0.149  -0.671
  284   1HD1  LEU  41          1HD1      LEU  41   8.364  -2.708  -1.090
  285   2HD1  LEU  41          2HD1      LEU  41   7.788  -1.959   0.418
  286   3HD1  LEU  41          3HD1      LEU  41   6.631  -2.743  -0.685
  287   1HD2  LEU  41          1HD2      LEU  41   8.623   0.897  -1.578
  288   2HD2  LEU  41          2HD2      LEU  41   9.478  -0.598  -1.127
  289   3HD2  LEU  41          3HD2      LEU  41   8.894  -0.375  -2.793
  290    H    CYS  42           H        CYS  42   4.719  -2.580  -0.844
  291    HA   CYS  42           HA       CYS  42   3.309  -1.047   1.158
  292   1HB   CYS  42          1HB       CYS  42   4.011  -3.964   1.358
  293   2HB   CYS  42          2HB       CYS  42   2.702  -3.094   2.131
  294    H    SER  43           H        SER  43   4.425  -0.061   2.805
  295    HA   SER  43           HA       SER  43   6.657  -1.438   3.945
  296   1HB   SER  43          1HB       SER  43   7.028   1.359   2.783
  297   2HB   SER  43          2HB       SER  43   8.223   0.469   3.705
  298    HG   SER  43           HG       SER  43   8.692  -0.782   1.998
  299    H    TYR  44           H        TYR  44   6.013  -1.398   6.071
  300    HA   TYR  44           HA       TYR  44   4.504   0.886   7.032
  301   1HB   TYR  44          1HB       TYR  44   5.483  -1.449   8.710
  302   2HB   TYR  44          2HB       TYR  44   3.910  -0.679   8.745
  303    HD1  TYR  44           1HD      TYR  44   3.444  -0.862   5.671
  304    HD2  TYR  44           2HD      TYR  44   4.679  -3.712   8.613
  305    HE1  TYR  44           1HE      TYR  44   2.494  -2.746   4.255
  306    HE2  TYR  44           2HE      TYR  44   3.724  -5.587   7.186
  307    HH   TYR  44           HH       TYR  44   1.912  -5.776   5.444
  308    H    GLY  45           H        GLY  45   5.067   1.854   9.190
  309   1HA   GLY  45          1HA       GLY  45   8.005   2.098   9.438
  310   2HA   GLY  45          2HA       GLY  45   6.859   3.393   9.724
  311    H    GLU  46           H        GLU  46   5.733   3.539  11.706
  312    HA   GLU  46           HA       GLU  46   6.896   2.760  13.937
  313   1HB   GLU  46          1HB       GLU  46   4.765   3.115  15.092
  314   2HB   GLU  46          2HB       GLU  46   4.931   4.279  13.793
  315   1HG   GLU  46          1HG       GLU  46   3.223   3.345  12.539
  316   2HG   GLU  46          2HG       GLU  46   3.593   1.709  13.046
  317    H    GLY  47           H        GLY  47   6.499   1.076  15.601
  318   1HA   GLY  47          1HA       GLY  47   6.366  -1.534  14.407
  319   2HA   GLY  47          2HA       GLY  47   6.639  -1.134  16.091
  320    H    GLY  48           H        GLY  48   3.913  -0.415  13.789
  321   1HA   GLY  48          1HA       GLY  48   2.124  -2.132  15.293
  322   2HA   GLY  48          2HA       GLY  48   1.815  -0.415  15.459
  323    H    ASN  49           H        ASN  49   1.350   0.885  13.504
  324    HA   ASN  49           HA       ASN  49   0.702  -0.724  11.187
  325   1HB   ASN  49          1HB       ASN  49  -1.318  -0.160  12.896
  326   2HB   ASN  49          2HB       ASN  49  -1.289   1.381  12.061
  327   1HD2  ASN  49          1HD2      ASN  49  -2.956   1.381  10.746
  328   2HD2  ASN  49          2HD2      ASN  49  -3.357   0.171   9.574
  329    H    GLY  50           H        GLY  50  -0.789   1.618  10.001
  330   1HA   GLY  50          1HA       GLY  50  -0.415   3.553   8.915
  331   2HA   GLY  50          2HA       GLY  50   0.761   3.975  10.143
  332    H    PHE  51           H        PHE  51   1.064   4.562   7.335
  333    HA   PHE  51           HA       PHE  51   3.229   2.710   6.625
  334   1HB   PHE  51          1HB       PHE  51   1.302   2.857   5.024
  335   2HB   PHE  51          2HB       PHE  51   1.416   4.607   5.015
  336    HD1  PHE  51           1HD      PHE  51   3.491   5.673   4.020
  337    HD2  PHE  51           2HD      PHE  51   2.581   1.557   3.536
  338    HE1  PHE  51           1HE      PHE  51   5.050   5.560   2.056
  339    HE2  PHE  51           2HE      PHE  51   4.140   1.444   1.571
  340    HZ   PHE  51           HZ       PHE  51   5.354   3.447   0.855
  341    H    GLN  52           H        GLN  52   5.223   3.603   5.814
  342    HA   GLN  52           HA       GLN  52   5.481   6.470   6.124
  343   1HB   GLN  52          1HB       GLN  52   6.318   4.750   8.144
  344   2HB   GLN  52          2HB       GLN  52   7.790   4.976   7.221
  345   1HG   GLN  52          1HG       GLN  52   6.352   7.516   7.577
  346   2HG   GLN  52          2HG       GLN  52   6.700   6.760   9.119
  347   1HE2  GLN  52          1HE2      GLN  52   7.889   8.574   6.542
  348   2HE2  GLN  52          2HE2      GLN  52   9.577   8.585   6.933
  349    H    CYS  53           H        CYS  53   8.114   6.880   5.571
  350    HA   CYS  53           HA       CYS  53   8.535   5.356   3.104
  351   1HB   CYS  53          1HB       CYS  53   8.453   8.273   3.582
  352   2HB   CYS  53          2HB       CYS  53   9.789   7.711   2.596
  353    HA   PRO  54           HA       PRO  54  12.408   4.583   4.967
  354   1HB   PRO  54          1HB       PRO  54  13.742   3.513   2.836
  355   2HB   PRO  54          2HB       PRO  54  12.635   2.592   3.834
  356   1HG   PRO  54          1HG       PRO  54  12.222   3.658   1.108
  357   2HG   PRO  54          2HG       PRO  54  11.327   2.404   1.944
  358   1HD   PRO  54          1HD       PRO  54  10.494   5.116   1.522
  359   2HD   PRO  54          2HD       PRO  54   9.654   3.895   2.456
  360    H    THR  55           H        THR  55  14.885   4.884   4.585
  361    HA   THR  55           HA       THR  55  15.234   7.658   4.359
  362    HB   THR  55           HB       THR  55  17.141   5.264   4.324
  363    HG1  THR  55           1HG      THR  55  16.348   7.338   6.246
  364   1HG2  THR  55          1HG2      THR  55  17.719   8.242   4.759
  365   2HG2  THR  55          2HG2      THR  55  18.876   6.918   5.032
  366   3HG2  THR  55          3HG2      THR  55  18.302   7.273   3.386
  367    H    GLY  56           H        GLY  56  15.643   9.021   2.714
  368   1HA   GLY  56          1HA       GLY  56  16.460   9.631   0.644
  369   2HA   GLY  56          2HA       GLY  56  16.605   7.947   0.180
  370    H    TYR  57           H        TYR  57  13.610   8.139   1.650
  371    HA   TYR  57           HA       TYR  57  12.290   8.844  -0.885
  372   1HB   TYR  57          1HB       TYR  57  11.963   6.601   1.180
  373   2HB   TYR  57          2HB       TYR  57  10.602   7.046   0.170
  374    HD1  TYR  57           1HD      TYR  57  11.008   7.016  -2.416
  375    HD2  TYR  57           2HD      TYR  57  13.516   5.022   0.419
  376    HE1  TYR  57           1HE      TYR  57  11.878   5.485  -4.251
  377    HE2  TYR  57           2HE      TYR  57  14.378   3.499  -1.425
  378    HH   TYR  57           HH       TYR  57  12.993   2.855  -4.022
  379    H    ARG  58           H        ARG  58  10.077   9.676  -0.672
  380    HA   ARG  58           HA       ARG  58   9.339  10.455   1.991
  381   1HB   ARG  58          1HB       ARG  58  10.757  12.269   0.408
  382   2HB   ARG  58          2HB       ARG  58   9.094  12.713   0.074
  383   1HG   ARG  58          1HG       ARG  58   8.809  13.619   2.146
  384   2HG   ARG  58          2HG       ARG  58   9.504  12.222   2.942
  385   1HD   ARG  58          1HD       ARG  58  11.481  13.301   3.256
  386   2HD   ARG  58          2HD       ARG  58  11.611  13.669   1.548
  387    HE   ARG  58           HE       ARG  58  10.711  15.475   3.631
  388   1HH1  ARG  58          1HH1      ARG  58  10.269  14.705   0.201
  389   2HH1  ARG  58          2HH1      ARG  58   9.760  16.306  -0.220
  390   1HH2  ARG  58          1HH2      ARG  58   9.632  17.984   1.486
  391    H    GLN  59           H        GLN  59   7.159  10.027   2.176
  392    HA   GLN  59           HA       GLN  59   5.605   8.972   0.340
  393   1HB   GLN  59          1HB       GLN  59   5.186   9.735   2.872
  394   2HB   GLN  59          2HB       GLN  59   4.302  11.040   2.106
  395   1HG   GLN  59          1HG       GLN  59   2.806   9.506   0.985
  396   2HG   GLN  59          2HG       GLN  59   3.820   8.127   1.359
  397   1HE2  GLN  59          1HE2      GLN  59   2.072  10.791   2.938
  398   2HE2  GLN  59          2HE2      GLN  59   1.496   9.900   4.308
  399    H    CYS  60           H        CYS  60   4.283   9.557  -1.409
  400    HA   CYS  60           HA       CYS  60   4.920  12.077  -2.592
  401   1HB   CYS  60          1HB       CYS  60   4.260   9.588  -3.560
  402   2HB   CYS  60          2HB       CYS  60   2.783  10.492  -3.832
  Start of MODEL   19
    1   1H    ASP   1          1H        ASP   1 -23.147 -12.075  -3.973
    2    HA   ASP   1           HA       ASP   1 -23.609 -10.015  -2.777
    3   1HB   ASP   1          1HB       ASP   1 -20.727 -10.540  -2.155
    4   2HB   ASP   1          2HB       ASP   1 -22.104 -10.490  -1.072
    5    H    ARG   2           H        ARG   2 -22.074  -8.075  -1.827
    6    HA   ARG   2           HA       ARG   2 -20.918  -6.844  -4.195
    7   1HB   ARG   2          1HB       ARG   2 -21.632  -5.214  -1.760
    8   2HB   ARG   2          2HB       ARG   2 -21.714  -4.764  -3.452
    9   1HG   ARG   2          1HG       ARG   2 -23.679  -6.282  -3.763
   10   2HG   ARG   2          2HG       ARG   2 -23.597  -6.737  -2.072
   11   1HD   ARG   2          1HD       ARG   2 -25.058  -5.010  -1.731
   12   2HD   ARG   2          2HD       ARG   2 -23.648  -3.978  -1.866
   13    HE   ARG   2           HE       ARG   2 -24.454  -4.391  -4.509
   14   1HH1  ARG   2          1HH1      ARG   2 -25.995  -3.098  -1.592
   15   2HH1  ARG   2          2HH1      ARG   2 -27.049  -2.040  -2.468
   16   1HH2  ARG   2          1HH2      ARG   2 -26.944  -1.995  -4.861
   17    H    CYS   3           H        CYS   3 -18.974  -5.423  -3.827
   18    HA   CYS   3           HA       CYS   3 -17.632  -5.201  -1.461
   19   1HB   CYS   3          1HB       CYS   3 -17.029  -7.311  -1.012
   20   2HB   CYS   3          2HB       CYS   3 -17.309  -7.862  -2.653
   21    H    ARG   4           H        ARG   4 -15.544  -4.129  -1.831
   22    HA   ARG   4           HA       ARG   4 -15.327  -3.277  -4.593
   23   1HB   ARG   4          1HB       ARG   4 -15.433  -1.799  -2.242
   24   2HB   ARG   4          2HB       ARG   4 -13.705  -1.870  -2.524
   25   1HG   ARG   4          1HG       ARG   4 -14.272  -1.168  -4.982
   26   2HG   ARG   4          2HG       ARG   4 -15.853  -0.743  -4.358
   27   1HD   ARG   4          1HD       ARG   4 -14.520   1.270  -4.268
   28   2HD   ARG   4          2HD       ARG   4 -14.690   0.718  -2.614
   29    HE   ARG   4           HE       ARG   4 -12.293  -0.272  -4.030
   30   1HH1  ARG   4          1HH1      ARG   4 -13.637   2.174  -1.846
   31   2HH1  ARG   4          2HH1      ARG   4 -12.093   2.622  -1.199
   32   1HH2  ARG   4          1HH2      ARG   4 -10.120   1.519  -1.995
   33    H    TYR   5           H        TYR   5 -14.045  -5.017  -5.438
   34    HA   TYR   5           HA       TYR   5 -11.909  -6.224  -4.219
   35   1HB   TYR   5          1HB       TYR   5 -12.903  -5.570  -7.001
   36   2HB   TYR   5          2HB       TYR   5 -11.236  -6.103  -6.916
   37    HD1  TYR   5           1HD      TYR   5 -10.693  -8.384  -6.045
   38    HD2  TYR   5           2HD      TYR   5 -14.726  -7.109  -6.689
   39    HE1  TYR   5           1HE      TYR   5 -11.476 -10.803  -5.984
   40    HE2  TYR   5           2HE      TYR   5 -15.495  -9.531  -6.627
   41    HH   TYR   5           HH       TYR   5 -13.441 -12.046  -5.554
   42    H    THR   6           H        THR   6 -10.097  -5.358  -3.344
   43    HA   THR   6           HA       THR   6  -8.793  -3.202  -4.867
   44    HB   THR   6           HB       THR   6  -8.706  -3.350  -1.838
   45    HG1  THR   6           1HG      THR   6 -10.826  -2.678  -1.831
   46   1HG2  THR   6          1HG2      THR   6  -9.061  -0.736  -2.533
   47   2HG2  THR   6          2HG2      THR   6  -7.449  -1.485  -2.443
   48   3HG2  THR   6          3HG2      THR   6  -8.268  -1.323  -4.014
   49    H    LEU   7           H        LEU   7  -6.427  -2.996  -4.358
   50    HA   LEU   7           HA       LEU   7  -5.340  -5.693  -4.267
   51   1HB   LEU   7          1HB       LEU   7  -4.333  -3.035  -5.242
   52   2HB   LEU   7          2HB       LEU   7  -3.234  -4.372  -4.967
   53    HG   LEU   7           HG       LEU   7  -5.323  -5.445  -6.520
   54   1HD1  LEU   7          1HD1      LEU   7  -5.584  -4.017  -8.404
   55   2HD1  LEU   7          2HD1      LEU   7  -5.960  -3.049  -6.959
   56   3HD1  LEU   7          3HD1      LEU   7  -4.391  -2.856  -7.776
   57   1HD2  LEU   7          1HD2      LEU   7  -2.436  -4.862  -6.792
   58   2HD2  LEU   7          2HD2      LEU   7  -3.343  -6.369  -7.064
   59   3HD2  LEU   7          3HD2      LEU   7  -3.328  -5.103  -8.314
   60    H    CYS   8           H        CYS   8  -4.863  -6.462  -2.279
   61    HA   CYS   8           HA       CYS   8  -3.881  -4.524  -0.324
   62   1HB   CYS   8          1HB       CYS   8  -4.897  -7.318   0.209
   63   2HB   CYS   8          2HB       CYS   8  -4.537  -6.072   1.388
   64    H    CYS   9           H        CYS   9  -2.044  -5.315   1.089
   65    HA   CYS   9           HA       CYS   9  -0.136  -6.703  -0.580
   66   1HB   CYS   9          1HB       CYS   9   0.167  -5.247   2.054
   67   2HB   CYS   9          2HB       CYS   9   1.481  -6.038   1.205
   68    H    ASP  10           H        ASP  10   1.147  -8.536   0.333
   69    HA   ASP  10           HA       ASP  10  -0.595 -10.232   1.854
   70   1HB   ASP  10          1HB       ASP  10   0.410 -11.401   0.074
   71   2HB   ASP  10          2HB       ASP  10   1.940 -10.565   0.250
   72    H    GLY  11           H        GLY  11   2.034  -8.033   2.334
   73   1HA   GLY  11          1HA       GLY  11   2.929  -7.388   4.344
   74   2HA   GLY  11          2HA       GLY  11   2.293  -8.828   5.114
   75    H    ALA  12           H        ALA  12   3.407 -10.581   2.855
   76    HA   ALA  12           HA       ALA  12   6.260 -10.233   3.136
   77   1HB   ALA  12          1HB       ALA  12   6.233 -11.474   5.060
   78   2HB   ALA  12          2HB       ALA  12   4.667 -12.230   4.679
   79   3HB   ALA  12          3HB       ALA  12   6.156 -12.825   3.905
   80    H    LEU  13           H        LEU  13   5.222  -9.828   0.802
   81    HA   LEU  13           HA       LEU  13   6.170 -11.846  -0.827
   82   1HB   LEU  13          1HB       LEU  13   4.417 -13.276  -0.211
   83   2HB   LEU  13          2HB       LEU  13   3.219 -11.999  -0.278
   84    HG   LEU  13           HG       LEU  13   4.183 -12.075  -2.878
   85   1HD1  LEU  13          1HD1      LEU  13   5.411 -14.044  -2.773
   86   2HD1  LEU  13          2HD1      LEU  13   4.249 -14.836  -1.682
   87   3HD1  LEU  13          3HD1      LEU  13   3.833 -14.586  -3.394
   88   1HD2  LEU  13          1HD2      LEU  13   1.810 -13.731  -2.084
   89   2HD2  LEU  13          2HD2      LEU  13   1.800 -11.973  -1.803
   90   3HD2  LEU  13          3HD2      LEU  13   2.016 -12.610  -3.452
   91    H    LYS  14           H        LYS  14   3.062 -10.498  -1.787
   92    HA   LYS  14           HA       LYS  14   4.266  -8.064  -2.765
   93   1HB   LYS  14          1HB       LYS  14   3.348 -10.262  -4.632
   94   2HB   LYS  14          2HB       LYS  14   3.488  -8.588  -5.127
   95   1HG   LYS  14          1HG       LYS  14   5.756 -10.259  -3.943
   96   2HG   LYS  14          2HG       LYS  14   5.550  -9.911  -5.649
   97   1HD   LYS  14          1HD       LYS  14   6.123  -7.915  -3.417
   98   2HD   LYS  14          2HD       LYS  14   7.168  -8.329  -4.761
   99   1HE   LYS  14          1HE       LYS  14   4.863  -7.525  -6.084
  100   2HE   LYS  14          2HE       LYS  14   4.839  -6.479  -4.678
  101   1HZ   LYS  14          1HZ       LYS  14   7.145  -6.769  -6.531
  102   2HZ   LYS  14          2HZ       LYS  14   6.136  -5.493  -6.479
  103    H    ALA  15           H        ALA  15   2.324  -7.071  -4.358
  104    HA   ALA  15           HA       ALA  15   0.051  -7.035  -2.530
  105   1HB   ALA  15          1HB       ALA  15  -0.003  -5.164  -4.778
  106   2HB   ALA  15          2HB       ALA  15  -0.038  -4.839  -3.028
  107   3HB   ALA  15          3HB       ALA  15   1.519  -5.058  -3.862
  108    H    VAL  16           H        VAL  16  -1.679  -8.296  -2.974
  109    HA   VAL  16           HA       VAL  16  -2.160  -8.916  -5.807
  110    HB   VAL  16           HB       VAL  16  -1.373 -10.785  -4.294
  111   1HG1  VAL  16          1HG1      VAL  16  -4.144 -11.032  -3.219
  112   2HG1  VAL  16          2HG1      VAL  16  -2.589 -11.547  -2.521
  113   3HG1  VAL  16          3HG1      VAL  16  -3.074  -9.836  -2.450
  114   1HG2  VAL  16          1HG2      VAL  16  -2.575 -12.341  -5.495
  115   2HG2  VAL  16          2HG2      VAL  16  -4.112 -11.461  -5.313
  116   3HG2  VAL  16          3HG2      VAL  16  -2.884 -10.878  -6.462
  117    H    SER  17           H        SER  17  -4.630  -9.644  -6.042
  118    HA   SER  17           HA       SER  17  -6.080  -7.365  -5.071
  119   1HB   SER  17          1HB       SER  17  -7.912  -8.376  -6.582
  120   2HB   SER  17          2HB       SER  17  -6.460  -7.794  -7.371
  121    HG   SER  17           HG       SER  17  -6.534  -9.766  -8.259
  122    H    ALA  18           H        ALA  18  -8.145  -7.542  -3.918
  123    HA   ALA  18           HA       ALA  18  -8.837 -10.151  -2.872
  124   1HB   ALA  18          1HB       ALA  18  -7.001  -8.826  -1.431
  125   2HB   ALA  18          2HB       ALA  18  -8.457  -8.008  -0.815
  126   3HB   ALA  18          3HB       ALA  18  -8.298  -9.774  -0.667
  127    H    CYS  19           H        CYS  19 -10.960 -10.074  -1.727
  128    HA   CYS  19           HA       CYS  19 -12.517  -7.815  -2.750
  129   1HB   CYS  19          1HB       CYS  19 -12.938 -10.254  -3.531
  130   2HB   CYS  19          2HB       CYS  19 -13.686 -10.471  -1.962
  131    H    LEU  20           H        LEU  20 -12.246  -6.410  -0.940
  132    HA   LEU  20           HA       LEU  20 -13.345  -7.474   1.569
  133   1HB   LEU  20          1HB       LEU  20 -10.814  -6.224   1.016
  134   2HB   LEU  20          2HB       LEU  20 -11.742  -5.216   2.109
  135    HG   LEU  20           HG       LEU  20 -12.112  -7.442   3.441
  136   1HD1  LEU  20          1HD1      LEU  20 -11.012  -8.759   1.525
  137   2HD1  LEU  20          2HD1      LEU  20  -9.470  -8.166   2.189
  138   3HD1  LEU  20          3HD1      LEU  20 -10.551  -9.157   3.198
  139   1HD2  LEU  20          1HD2      LEU  20 -10.116  -6.990   4.765
  140   2HD2  LEU  20          2HD2      LEU  20  -9.429  -6.032   3.432
  141   3HD2  LEU  20          3HD2      LEU  20 -10.901  -5.473   4.262
  142    H    HIS  21           H        HIS  21 -14.501  -5.840   2.906
  143    HA   HIS  21           HA       HIS  21 -15.941  -4.046   1.119
  144   1HB   HIS  21          1HB       HIS  21 -16.714  -4.808   3.938
  145   2HB   HIS  21          2HB       HIS  21 -17.726  -4.114   2.688
  146    HD1  HIS  21           1HD      HIS  21 -17.704  -5.856   0.369
  147    HD2  HIS  21           2HD      HIS  21 -17.227  -7.462   4.214
  148    HE1  HIS  21           1HE      HIS  21 -18.326  -8.325   0.195
  149    H    GLU  22           H        GLU  22 -16.799  -1.975   2.428
  150    HA   GLU  22           HA       GLU  22 -14.492  -0.491   2.942
  151   1HB   GLU  22          1HB       GLU  22 -17.452  -0.014   3.015
  152   2HB   GLU  22          2HB       GLU  22 -16.453   1.126   3.896
  153   1HG   GLU  22          1HG       GLU  22 -15.002   1.241   1.721
  154   2HG   GLU  22          2HG       GLU  22 -16.357   0.460   0.930
  155    H    SER  23           H        SER  23 -16.762  -2.299   4.989
  156    HA   SER  23           HA       SER  23 -15.879  -1.039   7.377
  157   1HB   SER  23          1HB       SER  23 -17.976  -2.851   6.572
  158   2HB   SER  23          2HB       SER  23 -17.116  -3.580   7.913
  159    HG   SER  23           HG       SER  23 -18.488  -1.050   7.820
  160    H    GLU  24           H        GLU  24 -14.270  -2.967   5.258
  161    HA   GLU  24           HA       GLU  24 -12.825  -4.280   7.424
  162   1HB   GLU  24          1HB       GLU  24 -14.264  -5.719   5.686
  163   2HB   GLU  24          2HB       GLU  24 -12.861  -5.487   4.662
  164   1HG   GLU  24          1HG       GLU  24 -11.406  -6.361   6.553
  165   2HG   GLU  24          2HG       GLU  24 -12.863  -6.706   7.462
  166    H    SER  25           H        SER  25 -10.504  -4.367   7.195
  167    HA   SER  25           HA       SER  25  -9.500  -2.785   4.968
  168   1HB   SER  25          1HB       SER  25  -9.637  -1.834   7.580
  169   2HB   SER  25          2HB       SER  25  -8.002  -2.459   7.502
  170    HG   SER  25           HG       SER  25  -9.030  -0.770   5.408
  171    H    CYS  26           H        CYS  26  -7.336  -3.370   4.271
  172    HA   CYS  26           HA       CYS  26  -6.323  -5.805   5.541
  173   1HB   CYS  26          1HB       CYS  26  -5.531  -6.304   3.082
  174   2HB   CYS  26          2HB       CYS  26  -7.105  -6.803   3.668
  175    H    LEU  27           H        LEU  27  -3.910  -6.128   4.446
  176    HA   LEU  27           HA       LEU  27  -2.433  -3.927   5.382
  177   1HB   LEU  27          1HB       LEU  27  -1.910  -6.500   5.136
  178   2HB   LEU  27          2HB       LEU  27  -1.255  -6.004   3.588
  179    HG   LEU  27           HG       LEU  27   0.193  -4.345   4.816
  180   1HD1  LEU  27          1HD1      LEU  27   0.088  -4.023   7.019
  181   2HD1  LEU  27          2HD1      LEU  27  -1.458  -4.905   6.966
  182   3HD1  LEU  27          3HD1      LEU  27   0.047  -5.770   7.359
  183   1HD2  LEU  27          1HD2      LEU  27   1.661  -6.254   5.837
  184   2HD2  LEU  27          2HD2      LEU  27   0.445  -7.321   5.095
  185   3HD2  LEU  27          3HD2      LEU  27   1.369  -6.185   4.082
  186    H    VAL  28           H        VAL  28  -3.539  -2.195   4.123
  187    HA   VAL  28           HA       VAL  28  -3.290  -2.102   1.322
  188    HB   VAL  28           HB       VAL  28  -4.847  -0.840   2.935
  189   1HG1  VAL  28          1HG1      VAL  28  -4.107   0.888   4.164
  190   2HG1  VAL  28          2HG1      VAL  28  -2.485   0.203   3.903
  191   3HG1  VAL  28          3HG1      VAL  28  -3.080   1.507   2.848
  192   1HG2  VAL  28          1HG2      VAL  28  -4.578  -0.557   0.403
  193   2HG2  VAL  28          2HG2      VAL  28  -5.294   0.804   1.299
  194   3HG2  VAL  28          3HG2      VAL  28  -3.593   0.876   0.782
  195    HA   PRO  29           HA       PRO  29   0.860  -0.925   0.969
  196   1HB   PRO  29          1HB       PRO  29   0.877  -0.029  -1.612
  197   2HB   PRO  29          2HB       PRO  29   0.970  -1.725  -1.187
  198   1HG   PRO  29          1HG       PRO  29  -1.326  -0.208  -2.269
  199   2HG   PRO  29          2HG       PRO  29  -1.072  -1.943  -2.239
  200   1HD   PRO  29          1HD       PRO  29  -2.795  -0.429  -0.515
  201   2HD   PRO  29          2HD       PRO  29  -2.453  -2.144  -0.412
  202    H    GLY  30           H        GLY  30   2.152   1.063  -0.315
  203   1HA   GLY  30          1HA       GLY  30   0.800   3.536   0.463
  204   2HA   GLY  30          2HA       GLY  30   2.282   3.130   1.306
  205    H    ASP  31           H        ASP  31   1.896   5.450  -0.406
  206    HA   ASP  31           HA       ASP  31   3.505   4.709  -2.711
  207   1HB   ASP  31          1HB       ASP  31   1.893   7.226  -2.081
  208   2HB   ASP  31          2HB       ASP  31   2.877   7.040  -3.519
  209    H    CYS  32           H        CYS  32   5.681   5.330  -2.693
  210    HA   CYS  32           HA       CYS  32   6.486   7.144  -0.553
  211   1HB   CYS  32          1HB       CYS  32   7.868   4.936  -2.036
  212   2HB   CYS  32          2HB       CYS  32   8.822   6.219  -1.318
  213    H    CYS  33           H        CYS  33   7.023   9.226  -1.124
  214    HA   CYS  33           HA       CYS  33   7.327   9.770  -3.962
  215   1HB   CYS  33          1HB       CYS  33   6.253  11.207  -1.673
  216   2HB   CYS  33          2HB       CYS  33   7.402  12.186  -2.566
  217    H    ARG  34           H        ARG  34   9.308  10.396  -4.835
  218    HA   ARG  34           HA       ARG  34  11.402  10.971  -2.905
  219   1HB   ARG  34          1HB       ARG  34  11.592   8.609  -3.808
  220   2HB   ARG  34          2HB       ARG  34  11.736   9.267  -5.425
  221   1HG   ARG  34          1HG       ARG  34  13.823  10.384  -4.887
  222   2HG   ARG  34          2HG       ARG  34  13.622  10.079  -3.173
  223   1HD   ARG  34          1HD       ARG  34  13.536   7.595  -4.777
  224   2HD   ARG  34          2HD       ARG  34  15.046   8.465  -4.971
  225    HE   ARG  34           HE       ARG  34  14.103   8.133  -2.184
  226   1HH1  ARG  34          1HH1      ARG  34  16.225   6.951  -4.764
  227   2HH1  ARG  34          2HH1      ARG  34  17.262   6.083  -3.683
  228   1HH2  ARG  34          1HH2      ARG  34  16.801   6.118  -1.331
  229    H    GLY  35           H        GLY  35  11.242  13.243  -3.362
  230   1HA   GLY  35          1HA       GLY  35  11.843  15.129  -4.435
  231   2HA   GLY  35          2HA       GLY  35  12.715  14.154  -5.602
  232    H    LYS  36           H        LYS  36  11.521  13.198  -7.448
  233    HA   LYS  36           HA       LYS  36   8.909  14.421  -7.906
  234   1HB   LYS  36          1HB       LYS  36  10.951  14.458 -10.111
  235   2HB   LYS  36          2HB       LYS  36   9.484  15.400  -9.940
  236   1HG   LYS  36          1HG       LYS  36  10.687  16.359  -7.768
  237   2HG   LYS  36          2HG       LYS  36  12.145  15.773  -8.544
  238   1HD   LYS  36          1HD       LYS  36  10.201  17.445 -10.154
  239   2HD   LYS  36          2HD       LYS  36  11.262  18.244  -9.010
  240   1HE   LYS  36          1HE       LYS  36  13.253  17.314 -10.114
  241   2HE   LYS  36          2HE       LYS  36  12.260  16.328 -11.171
  242   1HZ   LYS  36          1HZ       LYS  36  12.613  19.251 -11.229
  243   2HZ   LYS  36          2HZ       LYS  36  12.702  18.194 -12.465
  244    H    SER  37           H        SER  37  10.079  11.697  -7.165
  245    HA   SER  37           HA       SER  37   8.885  10.313  -9.434
  246   1HB   SER  37          1HB       SER  37  11.507   9.839  -8.069
  247   2HB   SER  37          2HB       SER  37  10.577   8.407  -8.462
  248    HG   SER  37           HG       SER  37  10.411   9.329 -10.700
  249    H    ARG  38           H        ARG  38   7.057   9.238  -8.792
  250    HA   ARG  38           HA       ARG  38   6.781   8.745  -5.960
  251   1HB   ARG  38          1HB       ARG  38   4.346   8.162  -6.739
  252   2HB   ARG  38          2HB       ARG  38   4.847   9.841  -6.787
  253   1HG   ARG  38          1HG       ARG  38   5.084   9.851  -9.140
  254   2HG   ARG  38          2HG       ARG  38   5.291   8.112  -9.231
  255   1HD   ARG  38          1HD       ARG  38   2.667   9.371  -8.319
  256   2HD   ARG  38          2HD       ARG  38   3.008   9.072 -10.012
  257    HE   ARG  38           HE       ARG  38   3.465   6.723  -8.324
  258   1HH1  ARG  38          1HH1      ARG  38   1.026   8.527 -10.155
  259   2HH1  ARG  38          2HH1      ARG  38  -0.017   7.158 -10.353
  260   1HH2  ARG  38          1HH2      ARG  38   0.628   5.046  -9.421
  261    H    LEU  39           H        LEU  39   6.154   6.620  -5.139
  262    HA   LEU  39           HA       LEU  39   6.297   4.437  -7.064
  263   1HB   LEU  39          1HB       LEU  39   8.486   5.183  -5.494
  264   2HB   LEU  39          2HB       LEU  39   7.788   3.810  -4.658
  265    HG   LEU  39           HG       LEU  39   7.821   2.657  -6.994
  266   1HD1  LEU  39          1HD1      LEU  39  10.057   4.623  -7.490
  267   2HD1  LEU  39          2HD1      LEU  39   9.358   3.421  -8.602
  268   3HD1  LEU  39          3HD1      LEU  39   8.414   4.857  -8.136
  269   1HD2  LEU  39          1HD2      LEU  39   9.805   2.939  -4.891
  270   2HD2  LEU  39          2HD2      LEU  39   9.281   1.493  -5.787
  271   3HD2  LEU  39          3HD2      LEU  39  10.552   2.543  -6.458
  272    H    THR  40           H        THR  40   5.479   2.367  -6.108
  273    HA   THR  40           HA       THR  40   3.845   2.782  -3.717
  274    HB   THR  40           HB       THR  40   2.881   1.989  -6.506
  275    HG1  THR  40           1HG      THR  40   1.695   3.906  -6.136
  276   1HG2  THR  40          1HG2      THR  40   1.149   2.046  -4.008
  277   2HG2  THR  40          2HG2      THR  40   0.791   1.315  -5.590
  278   3HG2  THR  40          3HG2      THR  40   1.959   0.538  -4.495
  279    H    LEU  41           H        LEU  41   4.443   1.281  -2.296
  280    HA   LEU  41           HA       LEU  41   4.573  -1.458  -3.202
  281   1HB   LEU  41          1HB       LEU  41   6.933  -0.644  -1.615
  282   2HB   LEU  41          2HB       LEU  41   6.757  -1.895  -2.829
  283    HG   LEU  41           HG       LEU  41   6.727   1.001  -3.642
  284   1HD1  LEU  41          1HD1      LEU  41   9.276  -0.605  -3.410
  285   2HD1  LEU  41          2HD1      LEU  41   9.081   1.123  -3.791
  286   3HD1  LEU  41          3HD1      LEU  41   8.723   0.527  -2.152
  287   1HD2  LEU  41          1HD2      LEU  41   6.410  -1.379  -5.028
  288   2HD2  LEU  41          2HD2      LEU  41   6.789   0.216  -5.724
  289   3HD2  LEU  41          3HD2      LEU  41   8.103  -0.924  -5.344
  290    H    CYS  42           H        CYS  42   5.513  -2.675  -0.916
  291    HA   CYS  42           HA       CYS  42   3.589  -1.687   1.057
  292   1HB   CYS  42          1HB       CYS  42   4.657  -4.502   0.883
  293   2HB   CYS  42          2HB       CYS  42   3.294  -3.917   1.816
  294    H    SER  43           H        SER  43   4.488  -0.843   2.909
  295    HA   SER  43           HA       SER  43   6.812  -2.037   4.008
  296   1HB   SER  43          1HB       SER  43   7.705  -0.439   2.215
  297   2HB   SER  43          2HB       SER  43   7.040   0.879   3.157
  298    HG   SER  43           HG       SER  43   9.317  -0.702   3.631
  299    H    TYR  44           H        TYR  44   6.266  -2.102   6.155
  300    HA   TYR  44           HA       TYR  44   4.746   0.189   7.207
  301   1HB   TYR  44          1HB       TYR  44   4.855  -2.830   7.785
  302   2HB   TYR  44          2HB       TYR  44   4.089  -1.724   8.908
  303    HD1  TYR  44           1HD      TYR  44   3.957  -2.866   5.351
  304    HD2  TYR  44           2HD      TYR  44   1.836  -1.112   8.626
  305    HE1  TYR  44           1HE      TYR  44   1.785  -3.030   4.040
  306    HE2  TYR  44           2HE      TYR  44  -0.330  -1.280   7.305
  307    HH   TYR  44           HH       TYR  44  -0.325  -2.163   3.943
  308    H    GLY  45           H        GLY  45   4.965   0.051   9.830
  309   1HA   GLY  45          1HA       GLY  45   7.805  -0.378  10.490
  310   2HA   GLY  45          2HA       GLY  45   7.064   1.184  10.776
  311    H    GLU  46           H        GLU  46   7.286   1.079  13.069
  312    HA   GLU  46           HA       GLU  46   6.223  -1.176  14.439
  313   1HB   GLU  46          1HB       GLU  46   7.929   1.073  15.044
  314   2HB   GLU  46          2HB       GLU  46   6.626   1.048  16.215
  315   1HG   GLU  46          1HG       GLU  46   8.669  -0.341  16.849
  316   2HG   GLU  46          2HG       GLU  46   7.143  -1.201  16.910
  317    H    GLY  47           H        GLY  47   4.612   0.959  12.680
  318   1HA   GLY  47          1HA       GLY  47   2.374   1.402  12.678
  319   2HA   GLY  47          2HA       GLY  47   2.241   0.819  14.325
  320    H    GLY  48           H        GLY  48   4.014   3.491  12.595
  321   1HA   GLY  48          1HA       GLY  48   3.155   5.300  14.772
  322   2HA   GLY  48          2HA       GLY  48   4.657   5.440  13.878
  323    H    ASN  49           H        ASN  49   4.397   5.659  11.378
  324    HA   ASN  49           HA       ASN  49   2.223   7.545  10.974
  325   1HB   ASN  49          1HB       ASN  49   4.960   7.785  10.482
  326   2HB   ASN  49          2HB       ASN  49   4.352   7.352   8.897
  327   1HD2  ASN  49          1HD2      ASN  49   4.152   9.632  11.551
  328   2HD2  ASN  49          2HD2      ASN  49   3.449  10.957  10.683
  329    H    GLY  50           H        GLY  50   1.760   4.665  10.866
  330   1HA   GLY  50          1HA       GLY  50   0.727   3.151   9.564
  331   2HA   GLY  50          2HA       GLY  50   0.483   4.414   8.372
  332    H    PHE  51           H        PHE  51   2.407   4.985   6.935
  333    HA   PHE  51           HA       PHE  51   3.593   2.511   6.052
  334   1HB   PHE  51          1HB       PHE  51   2.553   4.755   4.835
  335   2HB   PHE  51          2HB       PHE  51   4.234   5.241   4.907
  336    HD1  PHE  51           1HD      PHE  51   2.820   1.848   4.313
  337    HD2  PHE  51           2HD      PHE  51   4.952   5.142   2.695
  338    HE1  PHE  51           1HE      PHE  51   3.292   0.523   2.234
  339    HE2  PHE  51           2HE      PHE  51   5.424   3.817   0.616
  340    HZ   PHE  51           HZ       PHE  51   4.588   1.523   0.411
  341    H    GLN  52           H        GLN  52   5.952   2.438   5.438
  342    HA   GLN  52           HA       GLN  52   7.535   4.154   7.172
  343   1HB   GLN  52          1HB       GLN  52   7.074   1.771   8.118
  344   2HB   GLN  52          2HB       GLN  52   8.149   1.196   6.859
  345   1HG   GLN  52          1HG       GLN  52   8.882   3.298   8.953
  346   2HG   GLN  52          2HG       GLN  52   9.340   1.608   9.028
  347   1HE2  GLN  52          1HE2      GLN  52  10.589   0.726   7.229
  348   2HE2  GLN  52          2HE2      GLN  52  11.757   1.720   6.426
  349    H    CYS  53           H        CYS  53   7.602   5.175   4.876
  350    HA   CYS  53           HA       CYS  53   8.745   3.976   2.723
  351   1HB   CYS  53          1HB       CYS  53   8.669   6.792   3.720
  352   2HB   CYS  53          2HB       CYS  53   9.707   6.416   2.361
  353    HA   PRO  54           HA       PRO  54  12.900   3.362   3.880
  354   1HB   PRO  54          1HB       PRO  54  14.157   3.335   1.454
  355   2HB   PRO  54          2HB       PRO  54  13.278   1.960   2.093
  356   1HG   PRO  54          1HG       PRO  54  12.476   3.843  -0.040
  357   2HG   PRO  54          2HG       PRO  54  11.835   2.251   0.318
  358   1HD   PRO  54          1HD       PRO  54  10.617   4.771   0.945
  359   2HD   PRO  54          2HD       PRO  54  10.036   3.183   1.404
  360    H    THR  55           H        THR  55  15.195   4.179   3.807
  361    HA   THR  55           HA       THR  55  15.085   6.939   4.359
  362    HB   THR  55           HB       THR  55  17.324   4.900   3.940
  363    HG1  THR  55           1HG      THR  55  15.714   4.940   5.807
  364   1HG2  THR  55          1HG2      THR  55  17.528   7.713   5.135
  365   2HG2  THR  55          2HG2      THR  55  18.843   6.523   4.978
  366   3HG2  THR  55          3HG2      THR  55  18.149   7.280   3.524
  367    H    GLY  56           H        GLY  56  15.196   8.702   3.116
  368   1HA   GLY  56          1HA       GLY  56  16.180   9.918   1.356
  369   2HA   GLY  56          2HA       GLY  56  16.423   8.435   0.455
  370    H    TYR  57           H        TYR  57  13.428   7.952   1.753
  371    HA   TYR  57           HA       TYR  57  12.112   9.225  -0.550
  372   1HB   TYR  57          1HB       TYR  57  11.824   6.612   1.024
  373   2HB   TYR  57          2HB       TYR  57  10.454   7.215   0.111
  374    HD1  TYR  57           1HD      TYR  57  13.797   5.717  -0.103
  375    HD2  TYR  57           2HD      TYR  57  10.493   7.253  -2.347
  376    HE1  TYR  57           1HE      TYR  57  14.704   4.615  -2.207
  377    HE2  TYR  57           2HE      TYR  57  11.411   6.145  -4.443
  378    HH   TYR  57           HH       TYR  57  13.323   5.283  -5.330
  379    H    ARG  58           H        ARG  58   9.559   9.290  -0.052
  380    HA   ARG  58           HA       ARG  58   9.131  10.025   2.695
  381   1HB   ARG  58          1HB       ARG  58   8.221  12.243   2.144
  382   2HB   ARG  58          2HB       ARG  58   9.867  12.137   1.551
  383   1HG   ARG  58          1HG       ARG  58   9.218  12.346  -0.629
  384   2HG   ARG  58          2HG       ARG  58   7.921  11.182  -0.446
  385   1HD   ARG  58          1HD       ARG  58   6.967  13.382  -0.987
  386   2HD   ARG  58          2HD       ARG  58   6.498  12.934   0.640
  387    HE   ARG  58           HE       ARG  58   8.977  14.477   0.586
  388   1HH1  ARG  58          1HH1      ARG  58   5.444  14.738   0.574
  389   2HH1  ARG  58          2HH1      ARG  58   5.436  16.344   1.224
  390   1HH2  ARG  58          1HH2      ARG  58   7.521  17.416   1.727
  391    H    GLN  59           H        GLN  59   6.572  11.069   2.572
  392    HA   GLN  59           HA       GLN  59   5.143   8.815   1.482
  393   1HB   GLN  59          1HB       GLN  59   4.892  10.415   3.816
  394   2HB   GLN  59          2HB       GLN  59   3.476  10.781   2.850
  395   1HG   GLN  59          1HG       GLN  59   2.895   8.399   2.689
  396   2HG   GLN  59          2HG       GLN  59   4.394   7.936   3.469
  397   1HE2  GLN  59          1HE2      GLN  59   4.787   9.021   5.637
  398   2HE2  GLN  59          2HE2      GLN  59   3.457   9.080   6.746
  399    H    CYS  60           H        CYS  60   3.982   8.903  -0.398
  400    HA   CYS  60           HA       CYS  60   3.942  11.382  -1.820
  401   1HB   CYS  60          1HB       CYS  60   3.811   8.620  -2.464
  402   2HB   CYS  60          2HB       CYS  60   2.342   9.358  -3.071
  Start of MODEL   20
    1   1H    ASP   1          1H        ASP   1 -23.785  -8.520  -0.946
    2    HA   ASP   1           HA       ASP   1 -22.547  -9.982  -2.387
    3   1HB   ASP   1          1HB       ASP   1 -24.703  -8.295  -3.125
    4   2HB   ASP   1          2HB       ASP   1 -23.605  -8.226  -4.488
    5    H    ARG   2           H        ARG   2 -22.342  -6.461  -3.321
    6    HA   ARG   2           HA       ARG   2 -20.112  -6.999  -5.000
    7   1HB   ARG   2          1HB       ARG   2 -20.855  -4.193  -4.167
    8   2HB   ARG   2          2HB       ARG   2 -20.363  -4.779  -5.743
    9   1HG   ARG   2          1HG       ARG   2 -22.691  -6.184  -5.452
   10   2HG   ARG   2          2HG       ARG   2 -23.080  -4.781  -4.475
   11   1HD   ARG   2          1HD       ARG   2 -21.825  -4.292  -7.174
   12   2HD   ARG   2          2HD       ARG   2 -23.496  -4.820  -7.142
   13    HE   ARG   2           HE       ARG   2 -22.947  -2.628  -5.276
   14   1HH1  ARG   2          1HH1      ARG   2 -23.831  -3.430  -8.613
   15   2HH1  ARG   2          2HH1      ARG   2 -24.565  -1.891  -8.918
   16   1HH2  ARG   2          1HH2      ARG   2 -24.603  -0.242  -7.180
   17    H    CYS   3           H        CYS   3 -17.971  -5.860  -4.721
   18    HA   CYS   3           HA       CYS   3 -17.428  -5.010  -2.001
   19   1HB   CYS   3          1HB       CYS   3 -16.086  -6.678  -1.392
   20   2HB   CYS   3          2HB       CYS   3 -16.936  -7.605  -2.611
   21    H    ARG   4           H        ARG   4 -15.181  -3.954  -1.923
   22    HA   ARG   4           HA       ARG   4 -14.730  -2.706  -4.501
   23   1HB   ARG   4          1HB       ARG   4 -14.795  -1.748  -1.746
   24   2HB   ARG   4          2HB       ARG   4 -13.237  -1.370  -2.452
   25   1HG   ARG   4          1HG       ARG   4 -14.164  -0.003  -4.129
   26   2HG   ARG   4          2HG       ARG   4 -15.714  -0.820  -4.091
   27   1HD   ARG   4          1HD       ARG   4 -14.693   0.851  -1.750
   28   2HD   ARG   4          2HD       ARG   4 -15.642   1.541  -3.051
   29    HE   ARG   4           HE       ARG   4 -16.637  -0.125  -0.894
   30   1HH1  ARG   4          1HH1      ARG   4 -17.198   0.701  -4.294
   31   2HH1  ARG   4          2HH1      ARG   4 -18.878   0.284  -4.246
   32   1HH2  ARG   4          1HH2      ARG   4 -19.830  -0.525  -2.200
   33    H    TYR   5           H        TYR   5 -13.453  -4.621  -5.236
   34    HA   TYR   5           HA       TYR   5 -11.338  -5.765  -3.987
   35   1HB   TYR   5          1HB       TYR   5 -10.484  -5.817  -6.513
   36   2HB   TYR   5          2HB       TYR   5 -12.021  -6.574  -6.148
   37    HD1  TYR   5           1HD      TYR   5 -10.416  -3.591  -7.633
   38    HD2  TYR   5           2HD      TYR   5 -14.094  -5.680  -6.997
   39    HE1  TYR   5           1HE      TYR   5 -11.563  -2.107  -9.349
   40    HE2  TYR   5           2HE      TYR   5 -15.230  -4.189  -8.715
   41    HH   TYR   5           HH       TYR   5 -14.472  -1.515  -9.558
   42    H    THR   6           H        THR   6  -9.528  -4.969  -3.051
   43    HA   THR   6           HA       THR   6  -8.200  -2.722  -4.402
   44    HB   THR   6           HB       THR   6  -8.411  -2.964  -1.371
   45    HG1  THR   6           1HG      THR   6 -10.459  -2.112  -1.600
   46   1HG2  THR   6          1HG2      THR   6  -6.788  -1.300  -2.322
   47   2HG2  THR   6          2HG2      THR   6  -8.102  -0.598  -3.296
   48   3HG2  THR   6          3HG2      THR   6  -8.155  -0.489  -1.521
   49    H    LEU   7           H        LEU   7  -5.877  -2.470  -3.614
   50    HA   LEU   7           HA       LEU   7  -4.759  -5.165  -3.514
   51   1HB   LEU   7          1HB       LEU   7  -3.865  -2.526  -4.567
   52   2HB   LEU   7          2HB       LEU   7  -2.635  -3.640  -4.000
   53    HG   LEU   7           HG       LEU   7  -4.330  -5.180  -5.641
   54   1HD1  LEU   7          1HD1      LEU   7  -4.820  -2.582  -6.360
   55   2HD1  LEU   7          2HD1      LEU   7  -3.505  -3.036  -7.471
   56   3HD1  LEU   7          3HD1      LEU   7  -5.000  -4.001  -7.421
   57   1HD2  LEU   7          1HD2      LEU   7  -1.753  -4.021  -6.646
   58   2HD2  LEU   7          2HD2      LEU   7  -1.750  -5.101  -5.231
   59   3HD2  LEU   7          3HD2      LEU   7  -2.394  -5.675  -6.788
   60    H    CYS   8           H        CYS   8  -4.287  -5.944  -1.534
   61    HA   CYS   8           HA       CYS   8  -3.450  -3.979   0.470
   62   1HB   CYS   8          1HB       CYS   8  -4.674  -6.712   0.903
   63   2HB   CYS   8          2HB       CYS   8  -4.186  -5.591   2.159
   64    H    CYS   9           H        CYS   9  -1.790  -4.917   2.080
   65    HA   CYS   9           HA       CYS   9   0.125  -6.494   0.543
   66   1HB   CYS   9          1HB       CYS   9   0.367  -4.377   2.626
   67   2HB   CYS   9          2HB       CYS   9   1.595  -5.627   2.596
   68    H    ASP  10           H        ASP  10   0.739  -8.535   1.285
   69    HA   ASP  10           HA       ASP  10  -0.624  -9.397   3.701
   70   1HB   ASP  10          1HB       ASP  10  -0.300 -10.550   1.121
   71   2HB   ASP  10          2HB       ASP  10   0.721 -11.507   2.177
   72    H    GLY  11           H        GLY  11   2.024  -7.833   3.388
   73   1HA   GLY  11          1HA       GLY  11   4.185  -7.911   4.059
   74   2HA   GLY  11          2HA       GLY  11   3.504  -8.751   5.438
   75    H    ALA  12           H        ALA  12   3.301 -10.159   2.177
   76    HA   ALA  12           HA       ALA  12   5.463 -12.010   2.905
   77   1HB   ALA  12          1HB       ALA  12   4.108 -13.845   1.990
   78   2HB   ALA  12          2HB       ALA  12   3.242 -13.037   3.319
   79   3HB   ALA  12          3HB       ALA  12   2.786 -12.708   1.630
   80    H    LEU  13           H        LEU  13   4.125 -13.141   0.114
   81    HA   LEU  13           HA       LEU  13   6.152 -12.651  -1.541
   82   1HB   LEU  13          1HB       LEU  13   4.232 -12.618  -3.360
   83   2HB   LEU  13          2HB       LEU  13   4.689 -14.065  -2.483
   84    HG   LEU  13           HG       LEU  13   2.585 -12.487  -1.156
   85   1HD1  LEU  13          1HD1      LEU  13   1.007 -13.759  -2.991
   86   2HD1  LEU  13          2HD1      LEU  13   1.406 -12.025  -3.004
   87   3HD1  LEU  13          3HD1      LEU  13   2.340 -13.160  -4.007
   88   1HD2  LEU  13          1HD2      LEU  13   1.600 -14.985  -1.460
   89   2HD2  LEU  13          2HD2      LEU  13   3.343 -15.313  -1.603
   90   3HD2  LEU  13          3HD2      LEU  13   2.705 -14.501  -0.153
   91    H    LYS  14           H        LYS  14   3.157 -10.586  -1.617
   92    HA   LYS  14           HA       LYS  14   4.452  -8.171  -1.414
   93   1HB   LYS  14          1HB       LYS  14   5.287  -9.275  -3.762
   94   2HB   LYS  14          2HB       LYS  14   3.880  -8.389  -4.312
   95   1HG   LYS  14          1HG       LYS  14   5.901  -6.963  -4.409
   96   2HG   LYS  14          2HG       LYS  14   4.739  -6.310  -3.272
   97   1HD   LYS  14          1HD       LYS  14   6.353  -8.121  -1.770
   98   2HD   LYS  14          2HD       LYS  14   7.465  -7.222  -2.783
   99   1HE   LYS  14          1HE       LYS  14   5.365  -5.535  -1.525
  100   2HE   LYS  14          2HE       LYS  14   6.422  -6.322  -0.370
  101   1HZ   LYS  14          1HZ       LYS  14   7.065  -4.248  -2.290
  102   2HZ   LYS  14          2HZ       LYS  14   7.766  -4.572  -0.856
  103    H    ALA  15           H        ALA  15   2.954  -6.357  -2.562
  104    HA   ALA  15           HA       ALA  15   0.451  -6.654  -1.406
  105   1HB   ALA  15          1HB       ALA  15   1.960  -4.688  -2.890
  106   2HB   ALA  15          2HB       ALA  15   0.288  -4.736  -3.501
  107   3HB   ALA  15          3HB       ALA  15   0.596  -4.443  -1.773
  108    H    VAL  16           H        VAL  16  -1.265  -7.879  -1.985
  109    HA   VAL  16           HA       VAL  16  -1.550  -8.474  -4.849
  110    HB   VAL  16           HB       VAL  16  -0.763 -10.351  -3.305
  111   1HG1  VAL  16          1HG1      VAL  16  -2.127 -10.021  -1.376
  112   2HG1  VAL  16          2HG1      VAL  16  -3.622 -10.041  -2.344
  113   3HG1  VAL  16          3HG1      VAL  16  -2.675 -11.534  -2.137
  114   1HG2  VAL  16          1HG2      VAL  16  -3.099 -11.590  -4.394
  115   2HG2  VAL  16          2HG2      VAL  16  -2.580 -10.302  -5.507
  116   3HG2  VAL  16          3HG2      VAL  16  -1.438 -11.583  -5.035
  117    H    SER  17           H        SER  17  -3.798  -8.757  -5.583
  118    HA   SER  17           HA       SER  17  -5.426  -6.776  -4.418
  119   1HB   SER  17          1HB       SER  17  -5.461  -7.129  -6.827
  120   2HB   SER  17          2HB       SER  17  -5.906  -8.813  -6.632
  121    HG   SER  17           HG       SER  17  -7.601  -6.782  -5.524
  122    H    ALA  18           H        ALA  18  -7.608  -7.088  -3.508
  123    HA   ALA  18           HA       ALA  18  -8.319  -9.787  -2.743
  124   1HB   ALA  18          1HB       ALA  18  -7.963  -9.599  -0.488
  125   2HB   ALA  18          2HB       ALA  18  -6.678  -8.491  -1.027
  126   3HB   ALA  18          3HB       ALA  18  -8.242  -7.841  -0.481
  127    H    CYS  19           H        CYS  19 -10.554  -9.911  -1.979
  128    HA   CYS  19           HA       CYS  19 -12.080  -7.652  -3.005
  129   1HB   CYS  19          1HB       CYS  19 -12.387 -10.092  -3.787
  130   2HB   CYS  19          2HB       CYS  19 -13.200 -10.344  -2.255
  131    H    LEU  20           H        LEU  20 -11.812  -6.252  -1.143
  132    HA   LEU  20           HA       LEU  20 -13.089  -7.289   1.291
  133   1HB   LEU  20          1HB       LEU  20 -11.580  -6.229   2.570
  134   2HB   LEU  20          2HB       LEU  20 -10.576  -6.483   1.157
  135    HG   LEU  20           HG       LEU  20 -11.895  -3.998   0.774
  136   1HD1  LEU  20          1HD1      LEU  20 -10.486  -3.979   3.439
  137   2HD1  LEU  20          2HD1      LEU  20 -11.492  -2.717   2.691
  138   3HD1  LEU  20          3HD1      LEU  20 -12.245  -4.208   3.305
  139   1HD2  LEU  20          1HD2      LEU  20  -9.140  -3.763   1.651
  140   2HD2  LEU  20          2HD2      LEU  20  -9.351  -5.113   0.511
  141   3HD2  LEU  20          3HD2      LEU  20  -9.861  -3.471   0.050
  142    H    HIS  21           H        HIS  21 -14.219  -5.488   2.594
  143    HA   HIS  21           HA       HIS  21 -15.569  -3.724   0.680
  144   1HB   HIS  21          1HB       HIS  21 -16.748  -5.089   3.118
  145   2HB   HIS  21          2HB       HIS  21 -17.590  -3.964   2.071
  146    HD1  HIS  21           1HD      HIS  21 -16.204  -7.485   2.131
  147    HD2  HIS  21           2HD      HIS  21 -18.538  -5.031  -0.344
  148    HE1  HIS  21           1HE      HIS  21 -17.196  -9.011   0.342
  149    H    GLU  22           H        GLU  22 -16.880  -1.971   2.225
  150    HA   GLU  22           HA       GLU  22 -14.779  -0.431   3.262
  151   1HB   GLU  22          1HB       GLU  22 -17.364   0.045   2.341
  152   2HB   GLU  22          2HB       GLU  22 -17.512   0.374   4.056
  153   1HG   GLU  22          1HG       GLU  22 -15.061   1.583   3.310
  154   2HG   GLU  22          2HG       GLU  22 -16.147   1.935   1.980
  155    H    SER  23           H        SER  23 -16.992  -2.802   4.617
  156    HA   SER  23           HA       SER  23 -16.723  -1.848   7.280
  157   1HB   SER  23          1HB       SER  23 -18.325  -3.780   5.867
  158   2HB   SER  23          2HB       SER  23 -17.545  -4.610   7.198
  159    HG   SER  23           HG       SER  23 -18.318  -2.538   8.448
  160    H    GLU  24           H        GLU  24 -14.547  -3.222   5.182
  161    HA   GLU  24           HA       GLU  24 -13.131  -4.459   7.403
  162   1HB   GLU  24          1HB       GLU  24 -14.214  -6.077   5.616
  163   2HB   GLU  24          2HB       GLU  24 -12.878  -5.574   4.600
  164   1HG   GLU  24          1HG       GLU  24 -11.789  -6.164   7.197
  165   2HG   GLU  24          2HG       GLU  24 -12.867  -7.481   6.779
  166    H    SER  25           H        SER  25 -10.731  -4.446   7.129
  167    HA   SER  25           HA       SER  25  -9.766  -2.750   5.024
  168   1HB   SER  25          1HB       SER  25 -10.389  -1.616   7.529
  169   2HB   SER  25          2HB       SER  25  -8.653  -1.846   7.585
  170    HG   SER  25           HG       SER  25  -9.063  -0.860   5.168
  171    H    CYS  26           H        CYS  26  -7.649  -3.318   4.447
  172    HA   CYS  26           HA       CYS  26  -6.368  -5.254   6.237
  173   1HB   CYS  26          1HB       CYS  26  -5.239  -5.794   3.840
  174   2HB   CYS  26          2HB       CYS  26  -6.602  -6.657   4.524
  175    H    LEU  27           H        LEU  27  -3.846  -5.292   5.713
  176    HA   LEU  27           HA       LEU  27  -2.875  -2.722   6.272
  177   1HB   LEU  27          1HB       LEU  27  -1.976  -5.166   6.728
  178   2HB   LEU  27          2HB       LEU  27  -1.105  -4.888   5.233
  179    HG   LEU  27           HG       LEU  27  -0.028  -2.910   6.185
  180   1HD1  LEU  27          1HD1      LEU  27  -0.536  -3.097   8.940
  181   2HD1  LEU  27          2HD1      LEU  27  -1.010  -1.790   7.829
  182   3HD1  LEU  27          3HD1      LEU  27  -2.130  -3.135   8.150
  183   1HD2  LEU  27          1HD2      LEU  27   0.822  -5.318   6.519
  184   2HD2  LEU  27          2HD2      LEU  27   1.531  -4.023   7.514
  185   3HD2  LEU  27          3HD2      LEU  27   0.308  -5.114   8.210
  186    H    VAL  28           H        VAL  28  -3.594  -1.270   4.651
  187    HA   VAL  28           HA       VAL  28  -3.138  -1.782   1.910
  188    HB   VAL  28           HB       VAL  28  -3.739   0.727   3.483
  189   1HG1  VAL  28          1HG1      VAL  28  -4.040   1.937   1.511
  190   2HG1  VAL  28          2HG1      VAL  28  -2.560   1.006   1.183
  191   3HG1  VAL  28          3HG1      VAL  28  -4.115   0.473   0.502
  192   1HG2  VAL  28          1HG2      VAL  28  -6.001   0.367   2.290
  193   2HG2  VAL  28          2HG2      VAL  28  -5.423  -1.290   1.995
  194   3HG2  VAL  28          3HG2      VAL  28  -5.598  -0.691   3.662
  195    HA   PRO  29           HA       PRO  29   1.031  -0.651   1.665
  196   1HB   PRO  29          1HB       PRO  29   1.264  -0.253  -1.029
  197   2HB   PRO  29          2HB       PRO  29   1.306  -1.840  -0.287
  198   1HG   PRO  29          1HG       PRO  29  -0.880  -0.565  -1.816
  199   2HG   PRO  29          2HG       PRO  29  -0.646  -2.261  -1.442
  200   1HD   PRO  29          1HD       PRO  29  -2.487  -0.461  -0.177
  201   2HD   PRO  29          2HD       PRO  29  -2.171  -2.125   0.274
  202    H    GLY  30           H        GLY  30   2.416   1.071   0.084
  203   1HA   GLY  30          1HA       GLY  30   1.037   3.639   0.328
  204   2HA   GLY  30          2HA       GLY  30   2.477   3.401   1.299
  205    H    ASP  31           H        ASP  31   2.018   5.298  -0.960
  206    HA   ASP  31           HA       ASP  31   3.882   4.186  -2.894
  207   1HB   ASP  31          1HB       ASP  31   2.161   6.702  -3.093
  208   2HB   ASP  31          2HB       ASP  31   3.114   6.006  -4.388
  209    H    CYS  32           H        CYS  32   5.998   4.961  -2.784
  210    HA   CYS  32           HA       CYS  32   6.455   7.302  -1.121
  211   1HB   CYS  32          1HB       CYS  32   8.100   4.958  -1.963
  212   2HB   CYS  32          2HB       CYS  32   8.928   6.462  -1.616
  213    H    CYS  33           H        CYS  33   6.644   9.253  -2.163
  214    HA   CYS  33           HA       CYS  33   7.584   9.165  -4.937
  215   1HB   CYS  33          1HB       CYS  33   5.700  11.109  -3.589
  216   2HB   CYS  33          2HB       CYS  33   6.382  11.353  -5.185
  217    H    ARG  34           H        ARG  34   9.284  10.611  -5.511
  218    HA   ARG  34           HA       ARG  34  10.153  12.490  -3.542
  219   1HB   ARG  34          1HB       ARG  34  11.271  10.234  -2.981
  220   2HB   ARG  34          2HB       ARG  34  12.112  10.353  -4.512
  221   1HG   ARG  34          1HG       ARG  34  12.441  12.884  -3.210
  222   2HG   ARG  34          2HG       ARG  34  12.733  11.660  -1.992
  223   1HD   ARG  34          1HD       ARG  34  14.856  11.668  -2.888
  224   2HD   ARG  34          2HD       ARG  34  14.149  10.556  -4.043
  225    HE   ARG  34           HE       ARG  34  13.585  12.931  -5.238
  226   1HH1  ARG  34          1HH1      ARG  34  16.592  11.760  -3.775
  227   2HH1  ARG  34          2HH1      ARG  34  17.609  12.701  -4.815
  228   1HH2  ARG  34          1HH2      ARG  34  16.608  14.111  -6.474
  229    H    GLY  35           H        GLY  35  10.489  14.318  -4.766
  230   1HA   GLY  35          1HA       GLY  35  11.197  15.660  -6.425
  231   2HA   GLY  35          2HA       GLY  35  12.304  14.395  -6.922
  232    H    LYS  36           H        LYS  36  11.796  13.032  -8.670
  233    HA   LYS  36           HA       LYS  36   9.164  13.489  -9.884
  234   1HB   LYS  36          1HB       LYS  36  10.236  13.490 -12.096
  235   2HB   LYS  36          2HB       LYS  36  10.763  14.835 -11.104
  236   1HG   LYS  36          1HG       LYS  36  12.882  13.782 -10.616
  237   2HG   LYS  36          2HG       LYS  36  12.338  12.231 -11.226
  238   1HD   LYS  36          1HD       LYS  36  12.133  14.419 -13.222
  239   2HD   LYS  36          2HD       LYS  36  13.773  14.124 -12.682
  240   1HE   LYS  36          1HE       LYS  36  12.634  11.544 -13.086
  241   2HE   LYS  36          2HE       LYS  36  12.104  12.505 -14.451
  242   1HZ   LYS  36          1HZ       LYS  36  14.250  11.561 -14.948
  243   2HZ   LYS  36          2HZ       LYS  36  14.476  13.163 -14.763
  244    H    SER  37           H        SER  37  10.311  11.386  -8.031
  245    HA   SER  37           HA       SER  37   9.914   9.156  -9.868
  246   1HB   SER  37          1HB       SER  37  11.861   9.473  -7.567
  247   2HB   SER  37          2HB       SER  37  11.315   7.875  -8.038
  248    HG   SER  37           HG       SER  37  13.196   9.471  -9.232
  249    H    ARG  38           H        ARG  38   8.788   7.264  -8.908
  250    HA   ARG  38           HA       ARG  38   7.567   7.768  -6.354
  251   1HB   ARG  38          1HB       ARG  38   5.895   8.759  -7.800
  252   2HB   ARG  38          2HB       ARG  38   6.018   7.453  -8.963
  253   1HG   ARG  38          1HG       ARG  38   5.129   5.859  -7.214
  254   2HG   ARG  38          2HG       ARG  38   4.929   7.212  -6.118
  255   1HD   ARG  38          1HD       ARG  38   2.781   7.044  -7.070
  256   2HD   ARG  38          2HD       ARG  38   3.512   8.289  -8.062
  257    HE   ARG  38           HE       ARG  38   4.092   5.754  -9.250
  258   1HH1  ARG  38          1HH1      ARG  38   1.323   7.892  -8.684
  259   2HH1  ARG  38          2HH1      ARG  38   0.444   7.322 -10.063
  260   1HH2  ARG  38          1HH2      ARG  38   1.409   5.624 -11.452
  261    H    LEU  39           H        LEU  39   6.619   5.773  -5.411
  262    HA   LEU  39           HA       LEU  39   6.981   3.333  -6.913
  263   1HB   LEU  39          1HB       LEU  39   9.079   4.269  -5.325
  264   2HB   LEU  39          2HB       LEU  39   8.284   3.058  -4.337
  265    HG   LEU  39           HG       LEU  39   8.548   1.391  -6.117
  266   1HD1  LEU  39          1HD1      LEU  39  10.080   1.977  -8.053
  267   2HD1  LEU  39          2HD1      LEU  39   8.431   2.646  -8.115
  268   3HD1  LEU  39          3HD1      LEU  39   9.796   3.685  -7.639
  269   1HD2  LEU  39          1HD2      LEU  39  11.323   2.188  -6.077
  270   2HD2  LEU  39          2HD2      LEU  39  10.565   2.478  -4.492
  271   3HD2  LEU  39          3HD2      LEU  39  10.508   0.855  -5.224
  272    H    THR  40           H        THR  40   6.070   1.438  -5.684
  273    HA   THR  40           HA       THR  40   4.282   2.240  -3.515
  274    HB   THR  40           HB       THR  40   3.443   0.960  -6.169
  275    HG1  THR  40           1HG      THR  40   2.522   3.011  -6.402
  276   1HG2  THR  40          1HG2      THR  40   1.869   1.520  -3.601
  277   2HG2  THR  40          2HG2      THR  40   1.122   1.144  -5.172
  278   3HG2  THR  40          3HG2      THR  40   2.128  -0.074  -4.351
  279    H    LEU  41           H        LEU  41   4.895   0.990  -1.866
  280    HA   LEU  41           HA       LEU  41   4.880  -1.864  -2.296
  281   1HB   LEU  41          1HB       LEU  41   7.295  -0.943  -0.869
  282   2HB   LEU  41          2HB       LEU  41   7.043  -2.344  -1.892
  283    HG   LEU  41           HG       LEU  41   7.148   0.401  -3.116
  284   1HD1  LEU  41          1HD1      LEU  41   9.418  -1.120  -1.920
  285   2HD1  LEU  41          2HD1      LEU  41   9.680  -0.312  -3.484
  286   3HD1  LEU  41          3HD1      LEU  41   9.159   0.634  -2.071
  287   1HD2  LEU  41          1HD2      LEU  41   6.725  -2.140  -4.138
  288   2HD2  LEU  41          2HD2      LEU  41   7.172  -0.685  -5.061
  289   3HD2  LEU  41          3HD2      LEU  41   8.435  -1.813  -4.511
  290    H    CYS  42           H        CYS  42   5.872  -2.664   0.189
  291    HA   CYS  42           HA       CYS  42   3.895  -1.394   1.925
  292   1HB   CYS  42          1HB       CYS  42   5.177  -3.992   2.631
  293   2HB   CYS  42          2HB       CYS  42   3.568  -3.396   2.988
  294    H    SER  43           H        SER  43   4.671  -0.104   3.563
  295    HA   SER  43           HA       SER  43   7.086  -0.806   4.875
  296   1HB   SER  43          1HB       SER  43   7.094   1.946   3.606
  297   2HB   SER  43          2HB       SER  43   8.436   1.068   4.310
  298    HG   SER  43           HG       SER  43   7.795   1.163   1.743
  299    H    TYR  44           H        TYR  44   5.822  -0.831   6.785
  300    HA   TYR  44           HA       TYR  44   4.412   1.652   7.439
  301   1HB   TYR  44          1HB       TYR  44   4.454  -0.950   9.034
  302   2HB   TYR  44          2HB       TYR  44   3.130   0.188   8.873
  303    HD1  TYR  44           1HD      TYR  44   1.920   0.319   6.606
  304    HD2  TYR  44           2HD      TYR  44   4.574  -2.867   7.659
  305    HE1  TYR  44           1HE      TYR  44   0.890  -1.145   4.800
  306    HE2  TYR  44           2HE      TYR  44   3.535  -4.320   5.851
  307    HH   TYR  44           HH       TYR  44   0.646  -3.690   4.472
  308    H    GLY  45           H        GLY  45   4.427   2.077   9.962
  309   1HA   GLY  45          1HA       GLY  45   7.232   2.403  10.674
  310   2HA   GLY  45          2HA       GLY  45   5.838   3.148  11.433
  311    H    GLU  46           H        GLU  46   6.195  -0.360  10.704
  312    HA   GLU  46           HA       GLU  46   6.182  -2.122  11.972
  313   1HB   GLU  46          1HB       GLU  46   7.603  -0.372  14.028
  314   2HB   GLU  46          2HB       GLU  46   7.543  -2.123  14.064
  315   1HG   GLU  46          1HG       GLU  46   8.606  -0.646  11.626
  316   2HG   GLU  46          2HG       GLU  46   9.641  -0.975  13.001
  317    H    GLY  47           H        GLY  47   5.017  -3.219  13.722
  318   1HA   GLY  47          1HA       GLY  47   3.537  -3.336  15.468
  319   2HA   GLY  47          2HA       GLY  47   3.442  -1.588  15.533
  320    H    GLY  48           H        GLY  48   2.706  -0.835  12.961
  321   1HA   GLY  48          1HA       GLY  48   1.072  -1.716  11.287
  322   2HA   GLY  48          2HA       GLY  48   0.085  -2.176  12.661
  323    H    ASN  49           H        ASN  49   1.756   0.689  11.192
  324    HA   ASN  49           HA       ASN  49  -0.574   2.231  11.990
  325   1HB   ASN  49          1HB       ASN  49   1.745   2.549  13.349
  326   2HB   ASN  49          2HB       ASN  49   2.147   3.557  11.973
  327   1HD2  ASN  49          1HD2      ASN  49   2.016   5.548  12.735
  328   2HD2  ASN  49          2HD2      ASN  49   0.631   6.275  13.481
  329    H    GLY  50           H        GLY  50   0.756   4.715  10.882
  330   1HA   GLY  50          1HA       GLY  50  -0.065   4.584   8.232
  331   2HA   GLY  50          2HA       GLY  50   0.988   5.799   8.929
  332    H    PHE  51           H        PHE  51   2.140   5.828   6.841
  333    HA   PHE  51           HA       PHE  51   3.665   3.416   6.271
  334   1HB   PHE  51          1HB       PHE  51   2.334   5.301   4.727
  335   2HB   PHE  51          2HB       PHE  51   3.944   5.995   4.726
  336    HD1  PHE  51           1HD      PHE  51   2.650   2.493   4.476
  337    HD2  PHE  51           2HD      PHE  51   5.025   5.556   2.748
  338    HE1  PHE  51           1HE      PHE  51   3.323   0.930   2.632
  339    HE2  PHE  51           2HE      PHE  51   5.699   3.992   0.903
  340    HZ   PHE  51           HZ       PHE  51   4.840   1.698   0.866
  341    H    GLN  52           H        GLN  52   6.033   3.704   5.687
  342    HA   GLN  52           HA       GLN  52   7.224   5.907   7.152
  343   1HB   GLN  52          1HB       GLN  52   7.071   3.461   8.342
  344   2HB   GLN  52          2HB       GLN  52   8.562   3.244   7.447
  345   1HG   GLN  52          1HG       GLN  52   7.964   5.513   9.403
  346   2HG   GLN  52          2HG       GLN  52   9.021   4.148   9.707
  347   1HE2  GLN  52          1HE2      GLN  52  10.962   3.924   8.533
  348   2HE2  GLN  52          2HE2      GLN  52  11.758   5.281   7.809
  349    H    CYS  53           H        CYS  53   7.355   6.568   4.777
  350    HA   CYS  53           HA       CYS  53   8.684   5.217   2.849
  351   1HB   CYS  53          1HB       CYS  53   8.211   8.070   3.461
  352   2HB   CYS  53          2HB       CYS  53   9.534   7.750   2.358
  353    HA   PRO  54           HA       PRO  54  12.750   4.958   4.435
  354   1HB   PRO  54          1HB       PRO  54  14.030   4.019   2.211
  355   2HB   PRO  54          2HB       PRO  54  13.138   2.986   3.311
  356   1HG   PRO  54          1HG       PRO  54  12.366   3.929   0.617
  357   2HG   PRO  54          2HG       PRO  54  11.714   2.590   1.541
  358   1HD   PRO  54          1HD       PRO  54  10.504   5.162   1.159
  359   2HD   PRO  54          2HD       PRO  54   9.909   3.865   2.176
  360    H    THR  55           H        THR  55  15.163   5.483   3.642
  361    HA   THR  55           HA       THR  55  15.129   8.305   3.425
  362    HB   THR  55           HB       THR  55  16.860   6.483   4.424
  363    HG1  THR  55           1HG      THR  55  17.727   8.483   4.799
  364   1HG2  THR  55          1HG2      THR  55  17.565   5.567   2.215
  365   2HG2  THR  55          2HG2      THR  55  17.944   7.213   1.652
  366   3HG2  THR  55          3HG2      THR  55  18.899   6.478   2.962
  367    H    GLY  56           H        GLY  56  14.959   9.609   1.718
  368   1HA   GLY  56          1HA       GLY  56  15.602  10.271  -0.438
  369   2HA   GLY  56          2HA       GLY  56  15.845   8.596  -0.894
  370    H    TYR  57           H        TYR  57  13.076   8.366   0.861
  371    HA   TYR  57           HA       TYR  57  11.402   8.888  -1.503
  372   1HB   TYR  57          1HB       TYR  57  11.558   6.788   0.715
  373   2HB   TYR  57          2HB       TYR  57  10.008   7.074  -0.054
  374    HD1  TYR  57           1HD      TYR  57  12.864   7.552  -2.219
  375    HD2  TYR  57           2HD      TYR  57  10.157   4.619  -0.679
  376    HE1  TYR  57           1HE      TYR  57  13.502   5.965  -4.100
  377    HE2  TYR  57           2HE      TYR  57  10.805   3.042  -2.565
  378    HH   TYR  57           HH       TYR  57  12.444   4.068  -5.288
  379    H    ARG  58           H        ARG  58   9.244   9.700  -1.152
  380    HA   ARG  58           HA       ARG  58   8.775  10.665   1.536
  381   1HB   ARG  58          1HB       ARG  58   9.406  12.314  -0.806
  382   2HB   ARG  58          2HB       ARG  58   7.812  12.711  -0.196
  383   1HG   ARG  58          1HG       ARG  58   8.665  13.735   1.650
  384   2HG   ARG  58          2HG       ARG  58   9.715  12.377   2.010
  385   1HD   ARG  58          1HD       ARG  58  11.530  13.425   1.110
  386   2HD   ARG  58          2HD       ARG  58  10.666  13.812  -0.364
  387    HE   ARG  58           HE       ARG  58  10.999  15.549   1.979
  388   1HH1  ARG  58          1HH1      ARG  58   9.077  14.946  -0.937
  389   2HH1  ARG  58          2HH1      ARG  58   8.501  16.575  -1.044
  390   1HH2  ARG  58          1HH2      ARG  58   9.197  18.177   0.597
  391    H    GLN  59           H        GLN  59   6.824   9.736   2.080
  392    HA   GLN  59           HA       GLN  59   5.126   8.433   0.576
  393   1HB   GLN  59          1HB       GLN  59   3.361   8.928   2.222
  394   2HB   GLN  59          2HB       GLN  59   4.902   8.704   3.025
  395   1HG   GLN  59          1HG       GLN  59   4.987  11.413   2.568
  396   2HG   GLN  59          2HG       GLN  59   3.257  11.184   2.729
  397   1HE2  GLN  59          1HE2      GLN  59   2.626   9.667   4.582
  398   2HE2  GLN  59          2HE2      GLN  59   3.389   9.948   6.111
  399    H    CYS  60           H        CYS  60   3.462   8.764  -0.919
  400    HA   CYS  60           HA       CYS  60   3.443  11.337  -2.157
  401   1HB   CYS  60          1HB       CYS  60   2.961   8.707  -2.972
  402   2HB   CYS  60          2HB       CYS  60   1.401   9.497  -3.093
  Start of MODEL   21
    1   1H    ASP   1          1H        ASP   1 -23.321 -10.948  -5.467
    2    HA   ASP   1           HA       ASP   1 -23.701  -9.804  -3.665
    3   1HB   ASP   1          1HB       ASP   1 -21.023 -10.558  -2.476
    4   2HB   ASP   1          2HB       ASP   1 -22.575 -10.428  -1.675
    5    H    ARG   2           H        ARG   2 -22.270  -8.234  -1.871
    6    HA   ARG   2           HA       ARG   2 -21.104  -6.308  -3.666
    7   1HB   ARG   2          1HB       ARG   2 -21.650  -5.962  -0.682
    8   2HB   ARG   2          2HB       ARG   2 -21.447  -4.695  -1.875
    9   1HG   ARG   2          1HG       ARG   2 -23.597  -6.545  -2.645
   10   2HG   ARG   2          2HG       ARG   2 -23.884  -5.869  -1.055
   11   1HD   ARG   2          1HD       ARG   2 -22.969  -3.692  -2.657
   12   2HD   ARG   2          2HD       ARG   2 -24.103  -4.573  -3.662
   13    HE   ARG   2           HE       ARG   2 -24.784  -2.945  -1.407
   14   1HH1  ARG   2          1HH1      ARG   2 -25.672  -6.046  -2.872
   15   2HH1  ARG   2          2HH1      ARG   2 -27.284  -6.024  -2.240
   16   1HH2  ARG   2          1HH2      ARG   2 -27.991  -4.173  -0.891
   17    H    CYS   3           H        CYS   3 -19.118  -5.034  -2.783
   18    HA   CYS   3           HA       CYS   3 -17.481  -5.769  -0.813
   19   1HB   CYS   3          1HB       CYS   3 -17.194  -7.993  -1.298
   20   2HB   CYS   3          2HB       CYS   3 -17.290  -7.756  -3.032
   21    H    ARG   4           H        ARG   4 -15.436  -4.620  -1.003
   22    HA   ARG   4           HA       ARG   4 -15.419  -2.913  -3.345
   23   1HB   ARG   4          1HB       ARG   4 -15.450  -2.064  -0.843
   24   2HB   ARG   4          2HB       ARG   4 -13.746  -2.472  -0.844
   25   1HG   ARG   4          1HG       ARG   4 -13.733  -0.205  -1.504
   26   2HG   ARG   4          2HG       ARG   4 -13.597  -1.051  -3.032
   27   1HD   ARG   4          1HD       ARG   4 -15.293   0.614  -3.376
   28   2HD   ARG   4          2HD       ARG   4 -16.159  -0.902  -3.222
   29    HE   ARG   4           HE       ARG   4 -15.916   0.228  -0.613
   30   1HH1  ARG   4          1HH1      ARG   4 -17.571   0.895  -3.674
   31   2HH1  ARG   4          2HH1      ARG   4 -18.888   1.732  -2.923
   32   1HH2  ARG   4          1HH2      ARG   4 -18.916   1.977  -0.539
   33    H    TYR   5           H        TYR   5 -14.441  -4.897  -4.504
   34    HA   TYR   5           HA       TYR   5 -12.093  -6.103  -3.903
   35   1HB   TYR   5          1HB       TYR   5 -13.220  -4.970  -6.536
   36   2HB   TYR   5          2HB       TYR   5 -11.894  -6.115  -6.505
   37    HD1  TYR   5           1HD      TYR   5 -12.268  -8.466  -5.933
   38    HD2  TYR   5           2HD      TYR   5 -15.507  -5.671  -5.998
   39    HE1  TYR   5           1HE      TYR   5 -13.935 -10.385  -5.918
   40    HE2  TYR   5           2HE      TYR   5 -17.162  -7.600  -5.984
   41    HH   TYR   5           HH       TYR   5 -16.301 -10.718  -6.696
   42    H    THR   6           H        THR   6 -10.097  -5.368  -3.394
   43    HA   THR   6           HA       THR   6  -9.004  -3.178  -4.976
   44    HB   THR   6           HB       THR   6  -9.887  -1.900  -3.155
   45    HG1  THR   6           1HG      THR   6  -7.813  -1.206  -2.833
   46   1HG2  THR   6          1HG2      THR   6  -9.700  -4.397  -1.704
   47   2HG2  THR   6          2HG2      THR   6  -8.738  -3.177  -0.837
   48   3HG2  THR   6          3HG2      THR   6 -10.459  -2.877  -1.174
   49    H    LEU   7           H        LEU   7  -6.586  -2.838  -4.238
   50    HA   LEU   7           HA       LEU   7  -5.478  -5.540  -4.183
   51   1HB   LEU   7          1HB       LEU   7  -4.626  -2.916  -5.310
   52   2HB   LEU   7          2HB       LEU   7  -3.378  -4.039  -4.808
   53    HG   LEU   7           HG       LEU   7  -5.520  -5.171  -6.526
   54   1HD1  LEU   7          1HD1      LEU   7  -4.004  -4.233  -8.514
   55   2HD1  LEU   7          2HD1      LEU   7  -5.440  -3.374  -7.910
   56   3HD1  LEU   7          3HD1      LEU   7  -3.817  -2.882  -7.371
   57   1HD2  LEU   7          1HD2      LEU   7  -2.558  -5.420  -6.950
   58   2HD2  LEU   7          2HD2      LEU   7  -3.347  -6.276  -5.604
   59   3HD2  LEU   7          3HD2      LEU   7  -3.860  -6.589  -7.280
   60    H    CYS   8           H        CYS   8  -4.659  -6.322  -2.323
   61    HA   CYS   8           HA       CYS   8  -3.806  -4.332  -0.347
   62   1HB   CYS   8          1HB       CYS   8  -4.932  -7.089   0.181
   63   2HB   CYS   8          2HB       CYS   8  -4.401  -5.939   1.391
   64    H    CYS   9           H        CYS   9  -2.001  -5.198   1.120
   65    HA   CYS   9           HA       CYS   9  -0.168  -6.738  -0.542
   66   1HB   CYS   9          1HB       CYS   9   0.200  -4.728   1.654
   67   2HB   CYS   9          2HB       CYS   9   1.473  -5.882   1.306
   68    H    ASP  10           H        ASP  10   0.533  -8.776   0.126
   69    HA   ASP  10           HA       ASP  10  -0.457  -9.609   2.740
   70   1HB   ASP  10          1HB       ASP  10  -0.275 -11.026   0.072
   71   2HB   ASP  10          2HB       ASP  10  -0.170 -11.980   1.537
   72    H    GLY  11           H        GLY  11   2.127  -8.286   2.124
   73   1HA   GLY  11          1HA       GLY  11   4.373  -8.579   2.238
   74   2HA   GLY  11          2HA       GLY  11   3.942  -9.605   3.592
   75    H    ALA  12           H        ALA  12   2.915 -10.437   0.289
   76    HA   ALA  12           HA       ALA  12   4.729 -12.735   0.419
   77   1HB   ALA  12          1HB       ALA  12   3.141 -13.798  -1.112
   78   2HB   ALA  12          2HB       ALA  12   2.278 -13.167   0.312
   79   3HB   ALA  12          3HB       ALA  12   2.210 -12.286  -1.233
   80    H    LEU  13           H        LEU  13   3.685 -12.693  -2.674
   81    HA   LEU  13           HA       LEU  13   6.167 -11.869  -3.689
   82   1HB   LEU  13          1HB       LEU  13   5.437 -12.709  -5.640
   83   2HB   LEU  13          2HB       LEU  13   4.283 -13.484  -4.574
   84    HG   LEU  13           HG       LEU  13   3.135 -12.670  -6.518
   85   1HD1  LEU  13          1HD1      LEU  13   2.041 -10.564  -4.890
   86   2HD1  LEU  13          2HD1      LEU  13   1.368 -12.164  -5.280
   87   3HD1  LEU  13          3HD1      LEU  13   2.446 -11.971  -3.878
   88   1HD2  LEU  13          1HD2      LEU  13   3.811 -10.875  -7.628
   89   2HD2  LEU  13          2HD2      LEU  13   3.281  -9.839  -6.281
   90   3HD2  LEU  13          3HD2      LEU  13   4.944 -10.471  -6.315
   91    H    LYS  14           H        LYS  14   3.009 -10.244  -3.245
   92    HA   LYS  14           HA       LYS  14   4.019  -7.729  -3.056
   93   1HB   LYS  14          1HB       LYS  14   4.497  -8.495  -5.642
   94   2HB   LYS  14          2HB       LYS  14   2.948  -7.692  -5.807
   95   1HG   LYS  14          1HG       LYS  14   4.790  -6.068  -6.079
   96   2HG   LYS  14          2HG       LYS  14   3.838  -5.677  -4.661
   97   1HD   LYS  14          1HD       LYS  14   5.835  -7.476  -3.737
   98   2HD   LYS  14          2HD       LYS  14   6.668  -6.398  -4.839
   99   1HE   LYS  14          1HE       LYS  14   4.767  -5.040  -2.982
  100   2HE   LYS  14          2HE       LYS  14   6.125  -5.816  -2.193
  101   1HZ   LYS  14          1HZ       LYS  14   6.134  -3.519  -3.958
  102   2HZ   LYS  14          2HZ       LYS  14   7.171  -3.897  -2.760
  103    H    ALA  15           H        ALA  15   2.028  -6.124  -4.178
  104    HA   ALA  15           HA       ALA  15  -0.140  -6.766  -2.484
  105   1HB   ALA  15          1HB       ALA  15  -1.083  -4.701  -3.328
  106   2HB   ALA  15          2HB       ALA  15   0.668  -4.463  -3.113
  107   3HB   ALA  15          3HB       ALA  15  -0.001  -4.729  -4.741
  108    H    VAL  16           H        VAL  16  -1.683  -8.271  -2.854
  109    HA   VAL  16           HA       VAL  16  -2.318  -8.844  -5.664
  110    HB   VAL  16           HB       VAL  16  -3.310 -10.914  -4.114
  111   1HG1  VAL  16          1HG1      VAL  16  -0.781 -11.742  -5.025
  112   2HG1  VAL  16          2HG1      VAL  16  -2.339 -11.886  -5.875
  113   3HG1  VAL  16          3HG1      VAL  16  -1.300 -10.467  -6.154
  114   1HG2  VAL  16          1HG2      VAL  16  -2.052 -10.062  -2.164
  115   2HG2  VAL  16          2HG2      VAL  16  -1.467 -11.657  -2.698
  116   3HG2  VAL  16          3HG2      VAL  16  -0.540 -10.190  -3.096
  117    H    SER  17           H        SER  17  -4.532  -9.013  -6.279
  118    HA   SER  17           HA       SER  17  -6.177  -7.179  -5.053
  119   1HB   SER  17          1HB       SER  17  -6.469  -7.807  -7.388
  120   2HB   SER  17          2HB       SER  17  -6.795  -9.475  -6.958
  121    HG   SER  17           HG       SER  17  -8.687  -7.959  -7.439
  122    H    ALA  18           H        ALA  18  -8.203  -7.478  -3.841
  123    HA   ALA  18           HA       ALA  18  -8.679 -10.102  -2.723
  124   1HB   ALA  18          1HB       ALA  18  -7.113  -8.106  -1.345
  125   2HB   ALA  18          2HB       ALA  18  -8.653  -8.347  -0.485
  126   3HB   ALA  18          3HB       ALA  18  -7.582  -9.734  -0.799
  127    H    CYS  19           H        CYS  19 -10.766 -10.160  -1.535
  128    HA   CYS  19           HA       CYS  19 -12.489  -7.984  -2.475
  129   1HB   CYS  19          1HB       CYS  19 -12.784 -10.372  -3.392
  130   2HB   CYS  19          2HB       CYS  19 -13.431 -10.768  -1.812
  131    H    LEU  20           H        LEU  20 -12.429  -6.622  -0.648
  132    HA   LEU  20           HA       LEU  20 -13.417  -7.862   1.823
  133   1HB   LEU  20          1HB       LEU  20 -11.853  -6.867   3.124
  134   2HB   LEU  20          2HB       LEU  20 -10.903  -7.192   1.687
  135    HG   LEU  20           HG       LEU  20 -12.107  -4.585   1.452
  136   1HD1  LEU  20          1HD1      LEU  20 -12.192  -4.703   3.934
  137   2HD1  LEU  20          2HD1      LEU  20 -10.427  -4.936   3.949
  138   3HD1  LEU  20          3HD1      LEU  20 -11.121  -3.424   3.315
  139   1HD2  LEU  20          1HD2      LEU  20  -9.395  -5.818   1.372
  140   2HD2  LEU  20          2HD2      LEU  20 -10.243  -4.817   0.169
  141   3HD2  LEU  20          3HD2      LEU  20  -9.504  -4.056   1.599
  142    H    HIS  21           H        HIS  21 -14.391  -6.105   3.323
  143    HA   HIS  21           HA       HIS  21 -15.864  -4.249   1.599
  144   1HB   HIS  21          1HB       HIS  21 -16.780  -5.514   4.195
  145   2HB   HIS  21          2HB       HIS  21 -17.718  -4.442   3.174
  146    HD1  HIS  21           1HD      HIS  21 -19.012  -7.071   3.675
  147    HD2  HIS  21           2HD      HIS  21 -16.254  -6.536   0.560
  148    HE1  HIS  21           1HE      HIS  21 -19.469  -8.930   1.989
  149    H    GLU  22           H        GLU  22 -16.911  -2.446   3.271
  150    HA   GLU  22           HA       GLU  22 -14.651  -0.975   4.036
  151   1HB   GLU  22          1HB       GLU  22 -17.451  -0.513   3.614
  152   2HB   GLU  22          2HB       GLU  22 -17.068   0.092   5.213
  153   1HG   GLU  22          1HG       GLU  22 -16.728   1.845   3.484
  154   2HG   GLU  22          2HG       GLU  22 -15.227   1.464   4.304
  155    H    SER  23           H        SER  23 -16.778  -3.251   5.673
  156    HA   SER  23           HA       SER  23 -16.145  -2.300   8.273
  157   1HB   SER  23          1HB       SER  23 -17.983  -4.169   7.085
  158   2HB   SER  23          2HB       SER  23 -17.073  -5.032   8.307
  159    HG   SER  23           HG       SER  23 -18.709  -2.680   8.620
  160    H    GLU  24           H        GLU  24 -14.287  -3.755   5.940
  161    HA   GLU  24           HA       GLU  24 -12.674  -5.063   7.981
  162   1HB   GLU  24          1HB       GLU  24 -13.993  -6.622   6.319
  163   2HB   GLU  24          2HB       GLU  24 -12.788  -6.129   5.147
  164   1HG   GLU  24          1HG       GLU  24 -11.406  -6.799   7.589
  165   2HG   GLU  24          2HG       GLU  24 -12.541  -8.091   7.252
  166    H    SER  25           H        SER  25 -10.314  -5.167   7.398
  167    HA   SER  25           HA       SER  25  -9.599  -3.265   5.334
  168   1HB   SER  25          1HB       SER  25  -9.657  -2.461   7.965
  169   2HB   SER  25          2HB       SER  25  -8.009  -3.047   7.846
  170    HG   SER  25           HG       SER  25  -7.562  -1.566   6.196
  171    H    CYS  26           H        CYS  26  -7.204  -3.425   4.778
  172    HA   CYS  26           HA       CYS  26  -6.038  -5.945   5.660
  173   1HB   CYS  26          1HB       CYS  26  -5.292  -6.170   3.160
  174   2HB   CYS  26          2HB       CYS  26  -6.827  -6.809   3.715
  175    H    LEU  27           H        LEU  27  -3.639  -5.963   4.530
  176    HA   LEU  27           HA       LEU  27  -2.403  -3.594   5.520
  177   1HB   LEU  27          1HB       LEU  27  -1.609  -6.050   5.599
  178   2HB   LEU  27          2HB       LEU  27  -1.046  -5.776   3.961
  179    HG   LEU  27           HG       LEU  27   0.039  -3.619   5.248
  180   1HD1  LEU  27          1HD1      LEU  27  -0.135  -3.913   7.457
  181   2HD1  LEU  27          2HD1      LEU  27  -0.579  -5.630   7.291
  182   3HD1  LEU  27          3HD1      LEU  27   1.133  -5.145   7.251
  183   1HD2  LEU  27          1HD2      LEU  27   1.045  -5.371   3.677
  184   2HD2  LEU  27          2HD2      LEU  27   2.117  -4.644   4.897
  185   3HD2  LEU  27          3HD2      LEU  27   1.460  -6.279   5.151
  186    H    VAL  28           H        VAL  28  -3.275  -1.891   4.220
  187    HA   VAL  28           HA       VAL  28  -3.084  -1.983   1.396
  188    HB   VAL  28           HB       VAL  28  -4.756  -0.644   2.389
  189   1HG1  VAL  28          1HG1      VAL  28  -4.472   0.275   4.400
  190   2HG1  VAL  28          2HG1      VAL  28  -2.720  -0.030   4.322
  191   3HG1  VAL  28          3HG1      VAL  28  -3.390   1.487   3.675
  192   1HG2  VAL  28          1HG2      VAL  28  -2.539   0.883   1.051
  193   2HG2  VAL  28          2HG2      VAL  28  -4.152   0.449   0.439
  194   3HG2  VAL  28          3HG2      VAL  28  -3.977   1.748   1.642
  195    HA   PRO  29           HA       PRO  29   1.065  -0.833   0.963
  196   1HB   PRO  29          1HB       PRO  29   1.070  -0.030  -1.650
  197   2HB   PRO  29          2HB       PRO  29   1.153  -1.712  -1.163
  198   1HG   PRO  29          1HG       PRO  29  -1.138  -0.219  -2.285
  199   2HG   PRO  29          2HG       PRO  29  -0.896  -1.951  -2.193
  200   1HD   PRO  29          1HD       PRO  29  -2.597  -0.364  -0.515
  201   2HD   PRO  29          2HD       PRO  29  -2.266  -2.077  -0.351
  202    H    GLY  30           H        GLY  30   2.412   1.078  -0.305
  203   1HA   GLY  30          1HA       GLY  30   1.068   3.603   0.301
  204   2HA   GLY  30          2HA       GLY  30   2.496   3.211   1.235
  205    H    ASP  31           H        ASP  31   2.136   5.432  -0.683
  206    HA   ASP  31           HA       ASP  31   3.947   4.572  -2.789
  207   1HB   ASP  31          1HB       ASP  31   2.431   7.211  -2.594
  208   2HB   ASP  31          2HB       ASP  31   3.229   6.558  -4.011
  209    H    CYS  32           H        CYS  32   6.092   4.987  -2.221
  210    HA   CYS  32           HA       CYS  32   6.635   7.123  -0.355
  211   1HB   CYS  32          1HB       CYS  32   8.204   4.831  -1.479
  212   2HB   CYS  32          2HB       CYS  32   9.054   6.196  -0.782
  213    H    CYS  33           H        CYS  33   7.155   9.164  -1.063
  214    HA   CYS  33           HA       CYS  33   7.822   9.443  -3.882
  215   1HB   CYS  33          1HB       CYS  33   6.316  11.006  -1.964
  216   2HB   CYS  33          2HB       CYS  33   7.563  11.982  -2.715
  217    H    ARG  34           H        ARG  34   9.900  10.010  -4.508
  218    HA   ARG  34           HA       ARG  34  11.646  10.929  -2.369
  219   1HB   ARG  34          1HB       ARG  34  12.218   8.589  -2.858
  220   2HB   ARG  34          2HB       ARG  34  12.261   8.909  -4.580
  221   1HG   ARG  34          1HG       ARG  34  14.045  10.804  -3.472
  222   2HG   ARG  34          2HG       ARG  34  14.350   9.338  -2.562
  223   1HD   ARG  34          1HD       ARG  34  15.795   9.114  -4.427
  224   2HD   ARG  34          2HD       ARG  34  14.417   8.130  -4.880
  225    HE   ARG  34           HE       ARG  34  13.784  10.663  -5.858
  226   1HH1  ARG  34          1HH1      ARG  34  16.501   8.431  -6.301
  227   2HH1  ARG  34          2HH1      ARG  34  16.854   8.983  -7.904
  228   1HH2  ARG  34          1HH2      ARG  34  15.519  10.724  -8.867
  229    H    GLY  35           H        GLY  35  11.864  13.105  -2.921
  230   1HA   GLY  35          1HA       GLY  35  12.480  14.921  -4.091
  231   2HA   GLY  35          2HA       GLY  35  13.434  13.862  -5.110
  232    H    LYS  36           H        LYS  36  12.365  12.771  -6.972
  233    HA   LYS  36           HA       LYS  36   9.815  13.957  -7.730
  234   1HB   LYS  36          1HB       LYS  36  10.566  14.803  -9.793
  235   2HB   LYS  36          2HB       LYS  36  11.720  15.385  -8.610
  236   1HG   LYS  36          1HG       LYS  36  13.296  13.565  -9.201
  237   2HG   LYS  36          2HG       LYS  36  12.131  12.886 -10.319
  238   1HD   LYS  36          1HD       LYS  36  12.859  14.269 -11.958
  239   2HD   LYS  36          2HD       LYS  36  12.433  15.667 -10.994
  240   1HE   LYS  36          1HE       LYS  36  14.743  14.976  -9.727
  241   2HE   LYS  36          2HE       LYS  36  15.098  14.319 -11.312
  242   1HZ   LYS  36          1HZ       LYS  36  15.699  16.745 -10.930
  243   2HZ   LYS  36          2HZ       LYS  36  14.851  16.449 -12.289
  244    H    SER  37           H        SER  37  10.885  11.297  -6.754
  245    HA   SER  37           HA       SER  37   9.925   9.797  -9.055
  246   1HB   SER  37          1HB       SER  37  12.435   9.374  -7.449
  247   2HB   SER  37          2HB       SER  37  11.574   7.950  -7.997
  248    HG   SER  37           HG       SER  37  13.236   8.755  -9.506
  249    H    ARG  38           H        ARG  38   7.995   8.896  -8.435
  250    HA   ARG  38           HA       ARG  38   7.718   8.256  -5.621
  251   1HB   ARG  38          1HB       ARG  38   5.223   8.093  -6.253
  252   2HB   ARG  38          2HB       ARG  38   5.935   9.691  -6.357
  253   1HG   ARG  38          1HG       ARG  38   5.904   9.717  -8.694
  254   2HG   ARG  38          2HG       ARG  38   6.057   7.976  -8.827
  255   1HD   ARG  38          1HD       ARG  38   3.539   9.356  -7.783
  256   2HD   ARG  38          2HD       ARG  38   3.764   8.914  -9.464
  257    HE   ARG  38           HE       ARG  38   4.216   6.698  -7.588
  258   1HH1  ARG  38          1HH1      ARG  38   1.809   8.405  -9.548
  259   2HH1  ARG  38          2HH1      ARG  38   0.720   7.059  -9.607
  260   1HH2  ARG  38          1HH2      ARG  38   1.312   5.021  -8.494
  261    H    LEU  39           H        LEU  39   6.935   6.143  -4.962
  262    HA   LEU  39           HA       LEU  39   6.536   4.161  -7.025
  263   1HB   LEU  39          1HB       LEU  39   8.350   2.848  -6.660
  264   2HB   LEU  39          2HB       LEU  39   9.062   4.440  -6.481
  265    HG   LEU  39           HG       LEU  39   8.168   2.699  -4.167
  266   1HD1  LEU  39          1HD1      LEU  39  10.578   2.292  -3.789
  267   2HD1  LEU  39          2HD1      LEU  39   9.988   1.602  -5.321
  268   3HD1  LEU  39          3HD1      LEU  39  10.936   3.109  -5.330
  269   1HD2  LEU  39          1HD2      LEU  39   9.640   5.335  -4.306
  270   2HD2  LEU  39          2HD2      LEU  39   8.113   4.960  -3.472
  271   3HD2  LEU  39          3HD2      LEU  39   9.646   4.289  -2.865
  272    H    THR  40           H        THR  40   5.164   2.525  -6.340
  273    HA   THR  40           HA       THR  40   4.261   2.786  -3.551
  274    HB   THR  40           HB       THR  40   2.741   1.609  -5.925
  275    HG1  THR  40           1HG      THR  40   2.311   3.740  -6.440
  276   1HG2  THR  40          1HG2      THR  40   1.176   3.129  -4.033
  277   2HG2  THR  40          2HG2      THR  40   1.067   1.388  -4.389
  278   3HG2  THR  40          3HG2      THR  40   2.166   1.969  -3.115
  279    H    LEU  41           H        LEU  41   4.841   1.238  -2.177
  280    HA   LEU  41           HA       LEU  41   4.843  -1.495  -3.107
  281   1HB   LEU  41          1HB       LEU  41   7.029  -1.959  -2.991
  282   2HB   LEU  41          2HB       LEU  41   7.175  -0.268  -3.427
  283    HG   LEU  41           HG       LEU  41   7.110  -0.115  -0.687
  284   1HD1  LEU  41          1HD1      LEU  41   8.214  -1.841   0.355
  285   2HD1  LEU  41          2HD1      LEU  41   7.249  -2.732  -0.847
  286   3HD1  LEU  41          3HD1      LEU  41   8.975  -2.415  -1.148
  287   1HD2  LEU  41          1HD2      LEU  41   9.141   0.834  -0.934
  288   2HD2  LEU  41          2HD2      LEU  41   9.794  -0.535  -1.866
  289   3HD2  LEU  41          3HD2      LEU  41   8.766   0.676  -2.667
  290    H    CYS  42           H        CYS  42   5.337  -2.991  -1.131
  291    HA   CYS  42           HA       CYS  42   3.744  -1.918   1.029
  292   1HB   CYS  42          1HB       CYS  42   4.798  -4.708   1.051
  293   2HB   CYS  42          2HB       CYS  42   3.269  -4.079   1.631
  294    H    SER  43           H        SER  43   4.716  -1.049   2.829
  295    HA   SER  43           HA       SER  43   7.123  -2.246   3.794
  296   1HB   SER  43          1HB       SER  43   7.409  -0.083   2.056
  297   2HB   SER  43          2HB       SER  43   7.463   0.687   3.628
  298    HG   SER  43           HG       SER  43   9.004  -1.446   3.924
  299    H    TYR  44           H        TYR  44   7.011  -2.258   6.022
  300    HA   TYR  44           HA       TYR  44   4.881  -0.707   7.238
  301   1HB   TYR  44          1HB       TYR  44   6.896  -2.544   8.614
  302   2HB   TYR  44          2HB       TYR  44   5.202  -2.329   9.007
  303    HD1  TYR  44           1HD      TYR  44   7.591  -4.049   6.805
  304    HD2  TYR  44           2HD      TYR  44   3.459  -3.544   7.792
  305    HE1  TYR  44           1HE      TYR  44   7.011  -6.133   5.471
  306    HE2  TYR  44           2HE      TYR  44   2.892  -5.630   6.454
  307    HH   TYR  44           HH       TYR  44   4.652  -6.870   4.220
  308    H    GLY  45           H        GLY  45   5.342   0.312   9.443
  309   1HA   GLY  45          1HA       GLY  45   7.787   1.029  10.413
  310   2HA   GLY  45          2HA       GLY  45   7.497   2.185   9.129
  311    H    GLU  46           H        GLU  46   7.260   1.862  12.381
  312    HA   GLU  46           HA       GLU  46   4.627   2.917  12.715
  313   1HB   GLU  46          1HB       GLU  46   6.862   2.667  14.775
  314   2HB   GLU  46          2HB       GLU  46   5.156   2.891  15.108
  315   1HG   GLU  46          1HG       GLU  46   6.177   0.497  13.524
  316   2HG   GLU  46          2HG       GLU  46   6.096   0.476  15.275
  317    H    GLY  47           H        GLY  47   4.058   5.065  13.226
  318   1HA   GLY  47          1HA       GLY  47   5.387   7.139  14.161
  319   2HA   GLY  47          2HA       GLY  47   6.099   7.049  12.562
  320    H    GLY  48           H        GLY  48   3.954   6.253  10.940
  321   1HA   GLY  48          1HA       GLY  48   2.256   8.648  11.094
  322   2HA   GLY  48          2HA       GLY  48   2.586   7.680   9.671
  323    H    ASN  49           H        ASN  49   1.540   5.579   9.407
  324    HA   ASN  49           HA       ASN  49  -0.541   5.033  11.337
  325   1HB   ASN  49          1HB       ASN  49  -2.153   4.649   9.354
  326   2HB   ASN  49          2HB       ASN  49  -1.797   6.322   9.732
  327   1HD2  ASN  49          1HD2      ASN  49  -2.427   6.811   7.584
  328   2HD2  ASN  49          2HD2      ASN  49  -1.340   6.607   6.250
  329    H    GLY  50           H        GLY  50   1.193   3.281  11.675
  330   1HA   GLY  50          1HA       GLY  50   1.704   1.087  11.515
  331   2HA   GLY  50          2HA       GLY  50   0.486   0.901  10.269
  332    H    PHE  51           H        PHE  51   1.171   2.289   8.116
  333    HA   PHE  51           HA       PHE  51   3.671   1.071   7.342
  334   1HB   PHE  51          1HB       PHE  51   1.713   0.918   5.855
  335   2HB   PHE  51          2HB       PHE  51   1.400   2.637   5.997
  336    HD1  PHE  51           1HD      PHE  51   3.342   4.194   5.122
  337    HD2  PHE  51           2HD      PHE  51   2.821   0.141   3.980
  338    HE1  PHE  51           1HE      PHE  51   4.680   4.609   3.039
  339    HE2  PHE  51           2HE      PHE  51   4.159   0.555   1.897
  340    HZ   PHE  51           HZ       PHE  51   5.072   2.785   1.452
  341    H    GLN  52           H        GLN  52   5.456   2.221   6.387
  342    HA   GLN  52           HA       GLN  52   5.360   5.094   6.658
  343   1HB   GLN  52          1HB       GLN  52   6.346   3.815   8.779
  344   2HB   GLN  52          2HB       GLN  52   7.780   3.681   7.781
  345   1HG   GLN  52          1HG       GLN  52   8.248   5.930   7.907
  346   2HG   GLN  52          2HG       GLN  52   6.563   6.396   7.785
  347   1HE2  GLN  52          1HE2      GLN  52   9.005   5.032   9.942
  348   2HE2  GLN  52          2HE2      GLN  52   8.332   5.588  11.438
  349    H    CYS  53           H        CYS  53   7.904   5.819   5.988
  350    HA   CYS  53           HA       CYS  53   8.339   4.359   3.485
  351   1HB   CYS  53          1HB       CYS  53   8.253   7.265   4.111
  352   2HB   CYS  53          2HB       CYS  53   9.460   6.736   2.956
  353    HA   PRO  54           HA       PRO  54  12.351   3.692   5.056
  354   1HB   PRO  54          1HB       PRO  54  13.692   3.039   2.767
  355   2HB   PRO  54          2HB       PRO  54  12.687   1.904   3.645
  356   1HG   PRO  54          1HG       PRO  54  12.112   3.311   1.110
  357   2HG   PRO  54          2HG       PRO  54  11.338   1.887   1.774
  358   1HD   PRO  54          1HD       PRO  54  10.296   4.559   1.764
  359   2HD   PRO  54          2HD       PRO  54   9.577   3.156   2.529
  360    H    THR  55           H        THR  55  14.803   4.213   4.596
  361    HA   THR  55           HA       THR  55  14.954   7.007   4.814
  362    HB   THR  55           HB       THR  55  16.532   5.119   5.681
  363    HG1  THR  55           1HG      THR  55  17.615   7.365   4.133
  364   1HG2  THR  55          1HG2      THR  55  18.431   4.590   4.235
  365   2HG2  THR  55          2HG2      THR  55  16.952   4.126   3.360
  366   3HG2  THR  55          3HG2      THR  55  17.796   5.636   2.942
  367    H    GLY  56           H        GLY  56  15.345   8.652   3.411
  368   1HA   GLY  56          1HA       GLY  56  15.935   9.641   1.433
  369   2HA   GLY  56          2HA       GLY  56  16.181   8.069   0.698
  370    H    TYR  57           H        TYR  57  13.272   7.684   2.225
  371    HA   TYR  57           HA       TYR  57  11.783   8.697  -0.104
  372   1HB   TYR  57          1HB       TYR  57  11.701   6.162   1.620
  373   2HB   TYR  57          2HB       TYR  57  10.282   6.636   0.707
  374    HD1  TYR  57           1HD      TYR  57  10.609   6.998  -1.862
  375    HD2  TYR  57           2HD      TYR  57  13.353   4.840   0.613
  376    HE1  TYR  57           1HE      TYR  57  11.542   5.818  -3.911
  377    HE2  TYR  57           2HE      TYR  57  14.275   3.667  -1.446
  378    HH   TYR  57           HH       TYR  57  13.609   4.735  -4.579
  379    H    ARG  58           H        ARG  58   9.563   9.372   0.290
  380    HA   ARG  58           HA       ARG  58   8.856   9.657   3.061
  381   1HB   ARG  58          1HB       ARG  58  10.176  11.743   2.337
  382   2HB   ARG  58          2HB       ARG  58   8.884  12.085   1.204
  383   1HG   ARG  58          1HG       ARG  58   7.832  11.522   3.894
  384   2HG   ARG  58          2HG       ARG  58   8.982  12.845   3.920
  385   1HD   ARG  58          1HD       ARG  58   7.610  13.672   1.775
  386   2HD   ARG  58          2HD       ARG  58   6.350  12.651   2.440
  387    HE   ARG  58           HE       ARG  58   7.292  14.191   4.602
  388   1HH1  ARG  58          1HH1      ARG  58   5.764  14.824   1.468
  389   2HH1  ARG  58          2HH1      ARG  58   5.002  16.287   1.996
  390   1HH2  ARG  58          1HH2      ARG  58   5.323  17.030   4.252
  391    H    GLN  59           H        GLN  59   6.697   9.120   3.243
  392    HA   GLN  59           HA       GLN  59   5.152   8.239   1.307
  393   1HB   GLN  59          1HB       GLN  59   4.688   9.367   3.978
  394   2HB   GLN  59          2HB       GLN  59   3.297   9.590   2.938
  395   1HG   GLN  59          1HG       GLN  59   3.762   7.030   2.301
  396   2HG   GLN  59          2HG       GLN  59   4.596   7.015   3.841
  397   1HE2  GLN  59          1HE2      GLN  59   3.392   8.007   5.695
  398   2HE2  GLN  59          2HE2      GLN  59   1.701   7.659   5.846
  399    H    CYS  60           H        CYS  60   3.966   8.983  -0.434
  400    HA   CYS  60           HA       CYS  60   4.310  11.735  -1.121
  401   1HB   CYS  60          1HB       CYS  60   4.150   9.460  -2.577
  402   2HB   CYS  60          2HB       CYS  60   2.497  10.024  -2.723
  Start of MODEL   22
    1   1H    ASP   1          1H        ASP   1 -23.224  -4.951  -8.550
    2    HA   ASP   1           HA       ASP   1 -22.216  -6.478  -7.305
    3   1HB   ASP   1          1HB       ASP   1 -19.733  -4.781  -7.307
    4   2HB   ASP   1          2HB       ASP   1 -19.921  -6.461  -7.765
    5    H    ARG   2           H        ARG   2 -20.521  -6.844  -5.342
    6    HA   ARG   2           HA       ARG   2 -21.075  -4.767  -3.377
    7   1HB   ARG   2          1HB       ARG   2 -20.637  -7.620  -2.501
    8   2HB   ARG   2          2HB       ARG   2 -21.612  -6.375  -1.748
    9   1HG   ARG   2          1HG       ARG   2 -22.312  -7.730  -4.396
   10   2HG   ARG   2          2HG       ARG   2 -22.964  -8.214  -2.843
   11   1HD   ARG   2          1HD       ARG   2 -23.979  -5.969  -2.533
   12   2HD   ARG   2          2HD       ARG   2 -23.262  -5.413  -4.032
   13    HE   ARG   2           HE       ARG   2 -24.978  -6.477  -5.202
   14   1HH1  ARG   2          1HH1      ARG   2 -24.749  -7.941  -1.983
   15   2HH1  ARG   2          2HH1      ARG   2 -26.148  -8.939  -2.202
   16   1HH2  ARG   2          1HH2      ARG   2 -27.352  -8.836  -4.272
   17    H    CYS   3           H        CYS   3 -19.409  -4.607  -1.605
   18    HA   CYS   3           HA       CYS   3 -17.344  -4.458  -0.880
   19   1HB   CYS   3          1HB       CYS   3 -16.442  -6.435  -0.502
   20   2HB   CYS   3          2HB       CYS   3 -17.594  -7.144  -1.615
   21    H    ARG   4           H        ARG   4 -15.088  -3.823  -1.605
   22    HA   ARG   4           HA       ARG   4 -15.163  -3.065  -4.416
   23   1HB   ARG   4          1HB       ARG   4 -13.982  -1.584  -2.015
   24   2HB   ARG   4          2HB       ARG   4 -13.666  -1.113  -3.673
   25   1HG   ARG   4          1HG       ARG   4 -16.417  -1.303  -3.716
   26   2HG   ARG   4          2HG       ARG   4 -16.155  -0.806  -2.056
   27   1HD   ARG   4          1HD       ARG   4 -14.670   0.657  -4.249
   28   2HD   ARG   4          2HD       ARG   4 -16.371   1.006  -4.015
   29    HE   ARG   4           HE       ARG   4 -15.109   1.065  -1.456
   30   1HH1  ARG   4          1HH1      ARG   4 -15.128   2.917  -4.477
   31   2HH1  ARG   4          2HH1      ARG   4 -14.711   4.413  -3.706
   32   1HH2  ARG   4          1HH2      ARG   4 -14.383   4.459  -1.333
   33    H    TYR   5           H        TYR   5 -13.847  -4.641  -5.365
   34    HA   TYR   5           HA       TYR   5 -11.828  -6.051  -4.240
   35   1HB   TYR   5          1HB       TYR   5 -11.939  -4.778  -7.046
   36   2HB   TYR   5          2HB       TYR   5 -11.071  -6.248  -6.646
   37    HD1  TYR   5           1HD      TYR   5 -14.194  -4.862  -7.732
   38    HD2  TYR   5           2HD      TYR   5 -12.444  -8.275  -5.838
   39    HE1  TYR   5           1HE      TYR   5 -16.253  -6.241  -8.299
   40    HE2  TYR   5           2HE      TYR   5 -14.509  -9.643  -6.411
   41    HH   TYR   5           HH       TYR   5 -16.383  -9.695  -7.507
   42    H    THR   6           H        THR   6  -9.991  -5.473  -3.202
   43    HA   THR   6           HA       THR   6  -8.500  -3.188  -4.302
   44    HB   THR   6           HB       THR   6  -8.734  -3.786  -1.323
   45    HG1  THR   6           1HG      THR   6 -10.629  -2.528  -1.395
   46   1HG2  THR   6          1HG2      THR   6  -8.539  -1.152  -1.430
   47   2HG2  THR   6          2HG2      THR   6  -7.066  -2.124  -1.668
   48   3HG2  THR   6          3HG2      THR   6  -7.917  -1.437  -3.073
   49    H    LEU   7           H        LEU   7  -6.166  -3.188  -3.521
   50    HA   LEU   7           HA       LEU   7  -5.257  -5.979  -3.550
   51   1HB   LEU   7          1HB       LEU   7  -4.296  -3.484  -4.855
   52   2HB   LEU   7          2HB       LEU   7  -3.089  -4.641  -4.334
   53    HG   LEU   7           HG       LEU   7  -4.703  -6.335  -5.640
   54   1HD1  LEU   7          1HD1      LEU   7  -6.391  -4.763  -6.280
   55   2HD1  LEU   7          2HD1      LEU   7  -5.178  -3.657  -6.968
   56   3HD1  LEU   7          3HD1      LEU   7  -5.487  -5.230  -7.740
   57   1HD2  LEU   7          1HD2      LEU   7  -2.970  -4.794  -7.478
   58   2HD2  LEU   7          2HD2      LEU   7  -2.196  -5.390  -5.990
   59   3HD2  LEU   7          3HD2      LEU   7  -2.995  -6.533  -7.096
   60    H    CYS   8           H        CYS   8  -4.469  -6.725  -1.663
   61    HA   CYS   8           HA       CYS   8  -3.303  -4.724   0.135
   62   1HB   CYS   8          1HB       CYS   8  -4.629  -7.294   1.000
   63   2HB   CYS   8          2HB       CYS   8  -4.071  -5.980   2.015
   64    H    CYS   9           H        CYS   9  -1.492  -5.614   1.507
   65    HA   CYS   9           HA       CYS   9   0.226  -7.194  -0.111
   66   1HB   CYS   9          1HB       CYS   9   0.721  -6.407   2.756
   67   2HB   CYS   9          2HB       CYS   9   1.898  -6.771   1.510
   68    H    ASP  10           H        ASP  10   1.110  -9.311   0.481
   69    HA   ASP  10           HA       ASP  10  -0.844 -10.852   1.935
   70   1HB   ASP  10          1HB       ASP  10   1.408 -11.447   0.012
   71   2HB   ASP  10          2HB       ASP  10   0.892 -12.726   1.093
   72    H    GLY  11           H        GLY  11   1.043  -8.977   3.325
   73   1HA   GLY  11          1HA       GLY  11   2.221  -8.982   5.247
   74   2HA   GLY  11          2HA       GLY  11   1.962 -10.711   5.379
   75    H    ALA  12           H        ALA  12   3.219 -10.132   2.290
   76    HA   ALA  12           HA       ALA  12   5.993 -10.095   3.155
   77   1HB   ALA  12          1HB       ALA  12   5.702 -12.179   1.195
   78   2HB   ALA  12          2HB       ALA  12   6.331 -12.294   2.857
   79   3HB   ALA  12          3HB       ALA  12   4.591 -12.510   2.546
   80    H    LEU  13           H        LEU  13   4.608  -8.003   1.979
   81    HA   LEU  13           HA       LEU  13   4.831  -6.564   0.315
   82   1HB   LEU  13          1HB       LEU  13   7.021  -6.656  -0.103
   83   2HB   LEU  13          2HB       LEU  13   7.055  -8.408  -0.160
   84    HG   LEU  13           HG       LEU  13   5.895  -6.839  -2.452
   85   1HD1  LEU  13          1HD1      LEU  13   7.880  -5.782  -2.622
   86   2HD1  LEU  13          2HD1      LEU  13   8.739  -6.991  -1.637
   87   3HD1  LEU  13          3HD1      LEU  13   8.392  -7.323  -3.351
   88   1HD2  LEU  13          1HD2      LEU  13   5.533  -8.911  -3.174
   89   2HD2  LEU  13          2HD2      LEU  13   7.294  -9.051  -3.388
   90   3HD2  LEU  13          3HD2      LEU  13   6.532  -9.619  -1.883
   91    H    LYS  14           H        LYS  14   4.823  -9.947  -1.009
   92    HA   LYS  14           HA       LYS  14   3.602  -9.593  -3.353
   93   1HB   LYS  14          1HB       LYS  14   4.305 -11.748  -2.144
   94   2HB   LYS  14          2HB       LYS  14   2.698 -11.757  -1.448
   95   1HG   LYS  14          1HG       LYS  14   2.435 -13.061  -3.403
   96   2HG   LYS  14          2HG       LYS  14   1.830 -11.493  -3.895
   97   1HD   LYS  14          1HD       LYS  14   4.765 -11.885  -4.282
   98   2HD   LYS  14          2HD       LYS  14   3.746 -12.915  -5.269
   99   1HE   LYS  14          1HE       LYS  14   2.490 -10.424  -5.492
  100   2HE   LYS  14          2HE       LYS  14   4.188  -9.991  -5.437
  101   1HZ   LYS  14          1HZ       LYS  14   4.339 -11.972  -7.165
  102   2HZ   LYS  14          2HZ       LYS  14   2.784 -11.583  -7.453
  103    H    ALA  15           H        ALA  15   2.056  -8.111  -3.838
  104    HA   ALA  15           HA       ALA  15  -0.146  -7.769  -1.966
  105   1HB   ALA  15          1HB       ALA  15   0.082  -5.636  -2.628
  106   2HB   ALA  15          2HB       ALA  15   1.321  -6.115  -3.812
  107   3HB   ALA  15          3HB       ALA  15  -0.397  -6.111  -4.275
  108    H    VAL  16           H        VAL  16  -2.059  -8.803  -2.230
  109    HA   VAL  16           HA       VAL  16  -2.651  -9.798  -4.932
  110    HB   VAL  16           HB       VAL  16  -1.951 -11.547  -3.300
  111   1HG1  VAL  16          1HG1      VAL  16  -2.680 -11.044  -1.190
  112   2HG1  VAL  16          2HG1      VAL  16  -4.219 -10.357  -1.761
  113   3HG1  VAL  16          3HG1      VAL  16  -4.003 -12.123  -1.692
  114   1HG2  VAL  16          1HG2      VAL  16  -3.647 -13.115  -3.927
  115   2HG2  VAL  16          2HG2      VAL  16  -4.855 -11.824  -4.127
  116   3HG2  VAL  16          3HG2      VAL  16  -3.488 -11.947  -5.259
  117    H    SER  17           H        SER  17  -4.817  -9.610  -5.643
  118    HA   SER  17           HA       SER  17  -6.225  -7.531  -4.274
  119   1HB   SER  17          1HB       SER  17  -7.864  -8.071  -6.323
  120   2HB   SER  17          2HB       SER  17  -6.398  -7.137  -6.540
  121    HG   SER  17           HG       SER  17  -5.894  -8.625  -7.994
  122    H    ALA  18           H        ALA  18  -8.172  -7.754  -3.131
  123    HA   ALA  18           HA       ALA  18  -9.436 -10.388  -3.168
  124   1HB   ALA  18          1HB       ALA  18  -8.991  -8.971  -0.544
  125   2HB   ALA  18          2HB       ALA  18  -9.282 -10.698  -0.862
  126   3HB   ALA  18          3HB       ALA  18  -7.696  -9.979  -1.231
  127    H    CYS  19           H        CYS  19 -11.680 -10.310  -2.303
  128    HA   CYS  19           HA       CYS  19 -12.844  -7.742  -2.983
  129   1HB   CYS  19          1HB       CYS  19 -13.797  -9.596  -4.131
  130   2HB   CYS  19          2HB       CYS  19 -13.997 -10.511  -2.650
  131    H    LEU  20           H        LEU  20 -12.141  -6.633  -0.999
  132    HA   LEU  20           HA       LEU  20 -13.406  -7.656   1.437
  133   1HB   LEU  20          1HB       LEU  20 -11.418  -7.253   2.300
  134   2HB   LEU  20          2HB       LEU  20 -10.868  -6.454   0.841
  135    HG   LEU  20           HG       LEU  20 -12.561  -5.010   2.879
  136   1HD1  LEU  20          1HD1      LEU  20 -10.102  -4.088   3.457
  137   2HD1  LEU  20          2HD1      LEU  20 -10.884  -5.423   4.336
  138   3HD1  LEU  20          3HD1      LEU  20  -9.700  -5.775   3.055
  139   1HD2  LEU  20          1HD2      LEU  20 -10.476  -3.721   1.169
  140   2HD2  LEU  20          2HD2      LEU  20 -12.010  -4.222   0.418
  141   3HD2  LEU  20          3HD2      LEU  20 -12.019  -3.078   1.782
  142    H    HIS  21           H        HIS  21 -14.501  -6.065   2.862
  143    HA   HIS  21           HA       HIS  21 -15.841  -4.067   1.198
  144   1HB   HIS  21          1HB       HIS  21 -16.779  -5.388   3.761
  145   2HB   HIS  21          2HB       HIS  21 -17.684  -4.220   2.817
  146    HD1  HIS  21           1HD      HIS  21 -16.723  -7.833   2.931
  147    HD2  HIS  21           2HD      HIS  21 -18.731  -5.215   0.341
  148    HE1  HIS  21           1HE      HIS  21 -17.935  -9.300   1.231
  149    H    GLU  22           H        GLU  22 -16.833  -2.265   2.907
  150    HA   GLU  22           HA       GLU  22 -14.523  -0.879   3.695
  151   1HB   GLU  22          1HB       GLU  22 -17.317  -0.320   3.286
  152   2HB   GLU  22          2HB       GLU  22 -16.886   0.276   4.875
  153   1HG   GLU  22          1HG       GLU  22 -14.906   1.470   3.850
  154   2HG   GLU  22          2HG       GLU  22 -15.435   0.934   2.268
  155    H    SER  23           H        SER  23 -16.758  -3.085   5.293
  156    HA   SER  23           HA       SER  23 -16.088  -2.197   7.907
  157   1HB   SER  23          1HB       SER  23 -18.002  -3.980   6.686
  158   2HB   SER  23          2HB       SER  23 -17.155  -4.867   7.936
  159    HG   SER  23           HG       SER  23 -17.864  -3.450   9.501
  160    H    GLU  24           H        GLU  24 -14.250  -3.639   5.588
  161    HA   GLU  24           HA       GLU  24 -12.805  -5.189   7.590
  162   1HB   GLU  24          1HB       GLU  24 -14.043  -6.512   5.705
  163   2HB   GLU  24          2HB       GLU  24 -12.793  -5.901   4.639
  164   1HG   GLU  24          1HG       GLU  24 -12.086  -8.082   5.461
  165   2HG   GLU  24          2HG       GLU  24 -11.044  -6.867   6.176
  166    H    SER  25           H        SER  25 -10.417  -5.305   7.199
  167    HA   SER  25           HA       SER  25  -9.427  -3.355   5.332
  168   1HB   SER  25          1HB       SER  25  -8.058  -2.203   7.069
  169   2HB   SER  25          2HB       SER  25  -9.777  -1.979   7.320
  170    HG   SER  25           HG       SER  25  -7.900  -3.474   8.848
  171    H    CYS  26           H        CYS  26  -7.163  -3.708   4.805
  172    HA   CYS  26           HA       CYS  26  -5.970  -6.030   6.109
  173   1HB   CYS  26          1HB       CYS  26  -5.129  -6.488   3.616
  174   2HB   CYS  26          2HB       CYS  26  -6.553  -7.236   4.310
  175    H    LEU  27           H        LEU  27  -3.526  -6.155   5.230
  176    HA   LEU  27           HA       LEU  27  -2.355  -3.677   5.893
  177   1HB   LEU  27          1HB       LEU  27  -1.545  -6.152   6.162
  178   2HB   LEU  27          2HB       LEU  27  -0.874  -5.913   4.561
  179    HG   LEU  27           HG       LEU  27   0.750  -5.530   6.391
  180   1HD1  LEU  27          1HD1      LEU  27   1.421  -4.504   4.433
  181   2HD1  LEU  27          2HD1      LEU  27   0.064  -3.353   4.440
  182   3HD1  LEU  27          3HD1      LEU  27   1.415  -3.143   5.580
  183   1HD2  LEU  27          1HD2      LEU  27  -1.131  -4.448   7.858
  184   2HD2  LEU  27          2HD2      LEU  27   0.558  -3.909   8.012
  185   3HD2  LEU  27          3HD2      LEU  27  -0.602  -2.942   7.070
  186    H    VAL  28           H        VAL  28  -2.991  -2.028   4.490
  187    HA   VAL  28           HA       VAL  28  -2.746  -2.438   1.653
  188    HB   VAL  28           HB       VAL  28  -3.481  -0.076   3.388
  189   1HG1  VAL  28          1HG1      VAL  28  -3.895  -0.138   0.406
  190   2HG1  VAL  28          2HG1      VAL  28  -3.859   1.253   1.517
  191   3HG1  VAL  28          3HG1      VAL  28  -2.347   0.416   1.090
  192   1HG2  VAL  28          1HG2      VAL  28  -5.073  -2.031   1.710
  193   2HG2  VAL  28          2HG2      VAL  28  -5.207  -1.706   3.455
  194   3HG2  VAL  28          3HG2      VAL  28  -5.737  -0.480   2.277
  195    HA   PRO  29           HA       PRO  29   1.332  -1.022   1.383
  196   1HB   PRO  29          1HB       PRO  29   1.469  -0.445  -1.285
  197   2HB   PRO  29          2HB       PRO  29   1.630  -2.069  -0.646
  198   1HG   PRO  29          1HG       PRO  29  -0.672  -0.847  -2.041
  199   2HG   PRO  29          2HG       PRO  29  -0.323  -2.544  -1.780
  200   1HD   PRO  29          1HD       PRO  29  -2.239  -0.948  -0.364
  201   2HD   PRO  29          2HD       PRO  29  -1.807  -2.612  -0.026
  202    H    GLY  30           H        GLY  30   2.591   0.875  -0.061
  203   1HA   GLY  30          1HA       GLY  30   1.052   3.332   0.324
  204   2HA   GLY  30          2HA       GLY  30   2.496   3.127   1.294
  205    H    ASP  31           H        ASP  31   1.926   5.119  -0.860
  206    HA   ASP  31           HA       ASP  31   3.978   4.275  -2.751
  207   1HB   ASP  31          1HB       ASP  31   2.046   6.585  -3.164
  208   2HB   ASP  31          2HB       ASP  31   2.977   5.732  -4.379
  209    H    CYS  32           H        CYS  32   5.907   5.134  -1.892
  210    HA   CYS  32           HA       CYS  32   5.812   7.720  -0.609
  211   1HB   CYS  32          1HB       CYS  32   8.318   6.129  -1.042
  212   2HB   CYS  32          2HB       CYS  32   7.931   7.264   0.235
  213    H    CYS  33           H        CYS  33   6.203   9.587  -1.751
  214    HA   CYS  33           HA       CYS  33   7.694   9.289  -4.257
  215   1HB   CYS  33          1HB       CYS  33   6.315  10.778  -5.355
  216   2HB   CYS  33          2HB       CYS  33   5.193   9.807  -4.423
  217    H    ARG  34           H        ARG  34   9.185  11.051  -4.739
  218    HA   ARG  34           HA       ARG  34   9.425  13.137  -2.822
  219   1HB   ARG  34          1HB       ARG  34  10.729  11.572  -1.560
  220   2HB   ARG  34          2HB       ARG  34  11.462  10.885  -2.996
  221   1HG   ARG  34          1HG       ARG  34  11.998  13.777  -2.752
  222   2HG   ARG  34          2HG       ARG  34  12.574  12.880  -1.360
  223   1HD   ARG  34          1HD       ARG  34  14.424  12.533  -2.687
  224   2HD   ARG  34          2HD       ARG  34  13.461  11.220  -3.337
  225    HE   ARG  34           HE       ARG  34  12.913  13.743  -4.690
  226   1HH1  ARG  34          1HH1      ARG  34  15.153  10.999  -4.581
  227   2HH1  ARG  34          2HH1      ARG  34  15.670  11.198  -6.223
  228   1HH2  ARG  34          1HH2      ARG  34  14.741  12.971  -7.540
  229    H    GLY  35           H        GLY  35   9.934  14.937  -4.033
  230   1HA   GLY  35          1HA       GLY  35  10.875  16.236  -5.615
  231   2HA   GLY  35          2HA       GLY  35  12.038  14.965  -5.935
  232    H    LYS  36           H        LYS  36  11.549  13.286  -7.506
  233    HA   LYS  36           HA       LYS  36   9.100  13.637  -9.025
  234   1HB   LYS  36          1HB       LYS  36  10.145  14.028 -11.112
  235   2HB   LYS  36          2HB       LYS  36  10.822  15.200  -9.999
  236   1HG   LYS  36          1HG       LYS  36  12.924  14.334 -10.188
  237   2HG   LYS  36          2HG       LYS  36  12.359  12.687  -9.997
  238   1HD   LYS  36          1HD       LYS  36  12.687  12.354 -12.213
  239   2HD   LYS  36          2HD       LYS  36  11.408  13.503 -12.548
  240   1HE   LYS  36          1HE       LYS  36  13.277  15.332 -12.168
  241   2HE   LYS  36          2HE       LYS  36  14.399  14.006 -12.399
  242   1HZ   LYS  36          1HZ       LYS  36  13.085  15.421 -14.390
  243   2HZ   LYS  36          2HZ       LYS  36  14.024  14.106 -14.598
  244    H    SER  37           H        SER  37  10.330  11.658  -7.123
  245    HA   SER  37           HA       SER  37  10.263   9.427  -8.992
  246   1HB   SER  37          1HB       SER  37  12.586   9.636  -8.358
  247   2HB   SER  37          2HB       SER  37  12.179   9.858  -6.669
  248    HG   SER  37           HG       SER  37  12.325   7.485  -8.197
  249    H    ARG  38           H        ARG  38   8.598   8.045  -8.491
  250    HA   ARG  38           HA       ARG  38   7.749   8.048  -5.706
  251   1HB   ARG  38          1HB       ARG  38   5.418   7.580  -6.583
  252   2HB   ARG  38          2HB       ARG  38   6.027   9.160  -7.034
  253   1HG   ARG  38          1HG       ARG  38   6.398   8.528  -9.285
  254   2HG   ARG  38          2HG       ARG  38   6.490   6.821  -8.901
  255   1HD   ARG  38          1HD       ARG  38   3.905   8.380  -8.496
  256   2HD   ARG  38          2HD       ARG  38   4.318   7.708 -10.062
  257    HE   ARG  38           HE       ARG  38   4.587   5.731  -7.941
  258   1HH1  ARG  38          1HH1      ARG  38   2.228   7.314 -10.060
  259   2HH1  ARG  38          2HH1      ARG  38   1.095   6.008  -9.981
  260   1HH2  ARG  38          1HH2      ARG  38   1.622   4.073  -8.669
  261    H    LEU  39           H        LEU  39   6.998   5.969  -4.860
  262    HA   LEU  39           HA       LEU  39   7.197   3.678  -6.604
  263   1HB   LEU  39          1HB       LEU  39   9.448   3.683  -6.129
  264   2HB   LEU  39          2HB       LEU  39   9.229   4.330  -4.515
  265    HG   LEU  39           HG       LEU  39   8.225   2.109  -3.849
  266   1HD1  LEU  39          1HD1      LEU  39   8.128   1.629  -6.558
  267   2HD1  LEU  39          2HD1      LEU  39   9.528   0.663  -6.036
  268   3HD1  LEU  39          3HD1      LEU  39   7.940   0.412  -5.272
  269   1HD2  LEU  39          1HD2      LEU  39  10.908   2.920  -4.101
  270   2HD2  LEU  39          2HD2      LEU  39  10.234   1.691  -3.006
  271   3HD2  LEU  39          3HD2      LEU  39  10.859   1.213  -4.603
  272    H    THR  40           H        THR  40   5.747   2.117  -5.997
  273    HA   THR  40           HA       THR  40   4.483   2.515  -3.364
  274    HB   THR  40           HB       THR  40   3.195   1.343  -5.874
  275    HG1  THR  40           1HG      THR  40   3.005   3.463  -6.499
  276   1HG2  THR  40          1HG2      THR  40   2.192   2.563  -3.257
  277   2HG2  THR  40          2HG2      THR  40   1.149   2.393  -4.689
  278   3HG2  THR  40          3HG2      THR  40   1.831   0.946  -3.909
  279    H    LEU  41           H        LEU  41   5.095   1.020  -1.939
  280    HA   LEU  41           HA       LEU  41   4.935  -1.744  -2.741
  281   1HB   LEU  41          1HB       LEU  41   7.095  -2.346  -2.598
  282   2HB   LEU  41          2HB       LEU  41   7.318  -0.714  -3.196
  283    HG   LEU  41           HG       LEU  41   7.332  -0.331  -0.465
  284   1HD1  LEU  41          1HD1      LEU  41   7.355  -2.904  -0.330
  285   2HD1  LEU  41          2HD1      LEU  41   9.042  -2.776  -0.885
  286   3HD1  LEU  41          3HD1      LEU  41   8.542  -1.993   0.634
  287   1HD2  LEU  41          1HD2      LEU  41   8.855   0.801  -1.865
  288   2HD2  LEU  41          2HD2      LEU  41   9.851  -0.197  -0.779
  289   3HD2  LEU  41          3HD2      LEU  41   9.570  -0.718  -2.457
  290    H    CYS  42           H        CYS  42   5.467  -3.156  -0.678
  291    HA   CYS  42           HA       CYS  42   3.985  -1.876   1.463
  292   1HB   CYS  42          1HB       CYS  42   4.790  -4.778   1.210
  293   2HB   CYS  42          2HB       CYS  42   3.635  -4.092   2.336
  294    H    SER  43           H        SER  43   5.034  -1.132   3.283
  295    HA   SER  43           HA       SER  43   7.359  -2.467   4.210
  296   1HB   SER  43          1HB       SER  43   8.162  -0.841   2.362
  297   2HB   SER  43          2HB       SER  43   7.708   0.457   3.447
  298    HG   SER  43           HG       SER  43   9.212  -0.320   5.008
  299    H    TYR  44           H        TYR  44   6.774  -2.611   6.348
  300    HA   TYR  44           HA       TYR  44   5.285  -0.394   7.517
  301   1HB   TYR  44          1HB       TYR  44   6.120  -2.956   8.926
  302   2HB   TYR  44          2HB       TYR  44   4.594  -2.104   9.051
  303    HD1  TYR  44           1HD      TYR  44   5.106  -5.131   8.613
  304    HD2  TYR  44           2HD      TYR  44   4.220  -1.915   5.935
  305    HE1  TYR  44           1HE      TYR  44   4.052  -6.772   6.981
  306    HE2  TYR  44           2HE      TYR  44   3.170  -3.566   4.311
  307    HH   TYR  44           HH       TYR  44   3.577  -6.929   4.647
  308    H    GLY  45           H        GLY  45   5.855   0.219   9.830
  309   1HA   GLY  45          1HA       GLY  45   8.029  -0.197  11.268
  310   2HA   GLY  45          2HA       GLY  45   8.730   0.719   9.949
  311    H    GLU  46           H        GLU  46   8.959   1.877  12.387
  312    HA   GLU  46           HA       GLU  46   8.596   3.711  13.491
  313   1HB   GLU  46          1HB       GLU  46   7.767   4.360  10.799
  314   2HB   GLU  46          2HB       GLU  46   6.718   5.206  11.919
  315   1HG   GLU  46          1HG       GLU  46   9.758   5.332  11.771
  316   2HG   GLU  46          2HG       GLU  46   8.621   6.642  11.516
  317    H    GLY  47           H        GLY  47   6.431   1.356  13.157
  318   1HA   GLY  47          1HA       GLY  47   4.323   0.910  13.895
  319   2HA   GLY  47          2HA       GLY  47   4.961   1.647  15.351
  320    H    GLY  48           H        GLY  48   4.126   3.124  12.142
  321   1HA   GLY  48          1HA       GLY  48   2.343   4.980  13.592
  322   2HA   GLY  48          2HA       GLY  48   3.213   5.339  12.114
  323    H    ASN  49           H        ASN  49   2.212   5.006  10.151
  324    HA   ASN  49           HA       ASN  49  -0.461   3.968  10.297
  325   1HB   ASN  49          1HB       ASN  49   1.177   5.511   8.269
  326   2HB   ASN  49          2HB       ASN  49  -0.220   4.625   7.691
  327   1HD2  ASN  49          1HD2      ASN  49   0.851   6.954  10.135
  328   2HD2  ASN  49          2HD2      ASN  49  -0.625   7.852  10.258
  329    H    GLY  50           H        GLY  50   1.403   1.927  10.786
  330   1HA   GLY  50          1HA       GLY  50   2.223  -0.045  10.064
  331   2HA   GLY  50          2HA       GLY  50   0.770  -0.099   9.086
  332    H    PHE  51           H        PHE  51   3.059   2.538   8.544
  333    HA   PHE  51           HA       PHE  51   4.214   1.087   6.287
  334   1HB   PHE  51          1HB       PHE  51   2.138   2.596   5.747
  335   2HB   PHE  51          2HB       PHE  51   3.130   3.960   6.224
  336    HD1  PHE  51           1HD      PHE  51   3.336   5.125   4.199
  337    HD2  PHE  51           2HD      PHE  51   4.226   0.977   4.307
  338    HE1  PHE  51           1HE      PHE  51   4.265   5.264   1.873
  339    HE2  PHE  51           2HE      PHE  51   5.154   1.116   1.979
  340    HZ   PHE  51           HZ       PHE  51   5.163   3.258   0.789
  341    H    GLN  52           H        GLN  52   6.261   1.973   5.534
  342    HA   GLN  52           HA       GLN  52   7.351   4.111   7.116
  343   1HB   GLN  52          1HB       GLN  52   7.853   2.063   8.446
  344   2HB   GLN  52          2HB       GLN  52   8.647   1.349   7.056
  345   1HG   GLN  52          1HG       GLN  52  10.505   2.262   8.105
  346   2HG   GLN  52          2HG       GLN  52  10.060   3.627   7.100
  347   1HE2  GLN  52          1HE2      GLN  52   8.711   5.296   8.013
  348   2HE2  GLN  52          2HE2      GLN  52   8.805   5.677   9.699
  349    H    CYS  53           H        CYS  53   7.476   5.321   5.172
  350    HA   CYS  53           HA       CYS  53   8.420   4.305   2.773
  351   1HB   CYS  53          1HB       CYS  53   8.258   7.098   3.891
  352   2HB   CYS  53          2HB       CYS  53   8.913   6.782   2.296
  353    HA   PRO  54           HA       PRO  54  12.711   4.184   3.530
  354   1HB   PRO  54          1HB       PRO  54  13.691   4.228   0.979
  355   2HB   PRO  54          2HB       PRO  54  13.064   2.779   1.740
  356   1HG   PRO  54          1HG       PRO  54  11.809   4.479  -0.328
  357   2HG   PRO  54          2HG       PRO  54  11.412   2.834   0.131
  358   1HD   PRO  54          1HD       PRO  54   9.968   5.210   0.839
  359   2HD   PRO  54          2HD       PRO  54   9.639   3.579   1.392
  360    H    THR  55           H        THR  55  14.865   5.269   3.189
  361    HA   THR  55           HA       THR  55  14.476   8.012   3.694
  362    HB   THR  55           HB       THR  55  16.378   6.389   4.425
  363    HG1  THR  55           1HG      THR  55  17.028   8.921   3.091
  364   1HG2  THR  55          1HG2      THR  55  16.979   5.697   2.031
  365   2HG2  THR  55          2HG2      THR  55  17.536   7.366   1.764
  366   3HG2  THR  55          3HG2      THR  55  18.344   6.340   2.974
  367    H    GLY  56           H        GLY  56  14.389   9.786   2.438
  368   1HA   GLY  56          1HA       GLY  56  14.884  11.057   0.568
  369   2HA   GLY  56          2HA       GLY  56  15.355   9.617  -0.313
  370    H    TYR  57           H        TYR  57  12.539   8.740   1.262
  371    HA   TYR  57           HA       TYR  57  10.862   9.710  -0.953
  372   1HB   TYR  57          1HB       TYR  57  11.237   7.002   0.438
  373   2HB   TYR  57          2HB       TYR  57   9.737   7.348  -0.397
  374    HD1  TYR  57           1HD      TYR  57   9.914   8.044  -2.902
  375    HD2  TYR  57           2HD      TYR  57  13.070   6.130  -0.740
  376    HE1  TYR  57           1HE      TYR  57  10.966   7.293  -5.091
  377    HE2  TYR  57           2HE      TYR  57  14.112   5.385  -2.937
  378    HH   TYR  57           HH       TYR  57  13.661   5.072  -5.126
  379    H    ARG  58           H        ARG  58   8.666  10.177  -0.453
  380    HA   ARG  58           HA       ARG  58   7.918   9.865   2.310
  381   1HB   ARG  58          1HB       ARG  58   7.115  12.298   2.357
  382   2HB   ARG  58          2HB       ARG  58   8.855  12.092   2.395
  383   1HG   ARG  58          1HG       ARG  58   8.937  12.460  -0.091
  384   2HG   ARG  58          2HG       ARG  58   7.202  12.707  -0.102
  385   1HD   ARG  58          1HD       ARG  58   7.987  14.919   0.032
  386   2HD   ARG  58          2HD       ARG  58   7.690  14.556   1.721
  387    HE   ARG  58           HE       ARG  58  10.407  13.885   0.830
  388   1HH1  ARG  58          1HH1      ARG  58   8.333  16.417   2.187
  389   2HH1  ARG  58          2HH1      ARG  58   9.654  17.302   2.876
  390   1HH2  ARG  58          1HH2      ARG  58  11.888  16.481   2.598
  391    H    GLN  59           H        GLN  59   5.744   9.300   2.456
  392    HA   GLN  59           HA       GLN  59   4.297   8.472   0.423
  393   1HB   GLN  59          1HB       GLN  59   2.243   8.933   1.836
  394   2HB   GLN  59          2HB       GLN  59   3.542   8.114   2.682
  395   1HG   GLN  59          1HG       GLN  59   4.050   9.964   4.003
  396   2HG   GLN  59          2HG       GLN  59   3.572  11.117   2.772
  397   1HE2  GLN  59          1HE2      GLN  59   2.182   8.512   4.765
  398   2HE2  GLN  59          2HE2      GLN  59   0.697   9.310   5.166
  399    H    CYS  60           H        CYS  60   3.090   9.265  -1.287
  400    HA   CYS  60           HA       CYS  60   3.315  12.069  -1.793
  401   1HB   CYS  60          1HB       CYS  60   3.156   9.791  -3.359
  402   2HB   CYS  60          2HB       CYS  60   1.591  10.542  -3.593
  Start of MODEL   23
    1   1H    ASP   1          1H        ASP   1 -25.122  -6.466  -4.857
    2    HA   ASP   1           HA       ASP   1 -23.452  -5.418  -6.630
    3   1HB   ASP   1          1HB       ASP   1 -22.467  -4.195  -4.070
    4   2HB   ASP   1          2HB       ASP   1 -22.186  -3.682  -5.721
    5    H    ARG   2           H        ARG   2 -20.941  -5.811  -5.808
    6    HA   ARG   2           HA       ARG   2 -21.043  -8.000  -3.896
    7   1HB   ARG   2          1HB       ARG   2 -19.239  -7.990  -6.359
    8   2HB   ARG   2          2HB       ARG   2 -19.547  -9.332  -5.275
    9   1HG   ARG   2          1HG       ARG   2 -22.072  -8.332  -6.339
   10   2HG   ARG   2          2HG       ARG   2 -20.967  -8.662  -7.658
   11   1HD   ARG   2          1HD       ARG   2 -21.487 -10.660  -5.408
   12   2HD   ARG   2          2HD       ARG   2 -22.421 -10.641  -6.891
   13    HE   ARG   2           HE       ARG   2 -19.736 -10.669  -7.716
   14   1HH1  ARG   2          1HH1      ARG   2 -21.838 -12.777  -5.793
   15   2HH1  ARG   2          2HH1      ARG   2 -20.982 -14.222  -6.212
   16   1HH2  ARG   2          1HH2      ARG   2 -19.084 -14.081  -7.669
   17    H    CYS   3           H        CYS   3 -18.735  -8.523  -3.028
   18    HA   CYS   3           HA       CYS   3 -17.662  -6.450  -1.743
   19   1HB   CYS   3          1HB       CYS   3 -15.987  -7.833  -1.092
   20   2HB   CYS   3          2HB       CYS   3 -17.120  -9.013  -1.720
   21    H    ARG   4           H        ARG   4 -15.590  -5.201  -2.074
   22    HA   ARG   4           HA       ARG   4 -15.337  -4.561  -4.896
   23   1HB   ARG   4          1HB       ARG   4 -14.675  -2.918  -2.399
   24   2HB   ARG   4          2HB       ARG   4 -14.354  -2.374  -4.034
   25   1HG   ARG   4          1HG       ARG   4 -17.100  -3.282  -3.905
   26   2HG   ARG   4          2HG       ARG   4 -16.816  -2.199  -2.557
   27   1HD   ARG   4          1HD       ARG   4 -15.765  -0.556  -4.234
   28   2HD   ARG   4          2HD       ARG   4 -16.340  -1.606  -5.514
   29    HE   ARG   4           HE       ARG   4 -18.561  -1.107  -3.829
   30   1HH1  ARG   4          1HH1      ARG   4 -16.408   0.756  -5.939
   31   2HH1  ARG   4          2HH1      ARG   4 -17.601   1.958  -6.302
   32   1HH2  ARG   4          1HH2      ARG   4 -19.786   1.775  -5.333
   33    H    TYR   5           H        TYR   5 -13.756  -6.174  -5.449
   34    HA   TYR   5           HA       TYR   5 -11.574  -6.927  -4.001
   35   1HB   TYR   5          1HB       TYR   5 -12.188  -6.468  -6.969
   36   2HB   TYR   5          2HB       TYR   5 -10.630  -7.121  -6.504
   37    HD1  TYR   5           1HD      TYR   5 -10.461  -9.371  -5.485
   38    HD2  TYR   5           2HD      TYR   5 -14.209  -7.805  -6.832
   39    HE1  TYR   5           1HE      TYR   5 -11.468 -11.705  -5.420
   40    HE2  TYR   5           2HE      TYR   5 -15.202 -10.144  -6.763
   41    HH   TYR   5           HH       TYR   5 -14.536 -12.383  -6.819
   42    H    THR   6           H        THR   6  -9.954  -5.773  -3.088
   43    HA   THR   6           HA       THR   6  -8.940  -3.469  -4.619
   44    HB   THR   6           HB       THR   6  -8.846  -3.640  -1.592
   45    HG1  THR   6           1HG      THR   6 -11.047  -3.344  -1.599
   46   1HG2  THR   6          1HG2      THR   6  -9.615  -1.101  -2.291
   47   2HG2  THR   6          2HG2      THR   6  -7.909  -1.586  -2.135
   48   3HG2  THR   6          3HG2      THR   6  -8.680  -1.551  -3.738
   49    H    LEU   7           H        LEU   7  -6.639  -2.908  -4.107
   50    HA   LEU   7           HA       LEU   7  -5.148  -5.406  -4.027
   51   1HB   LEU   7          1HB       LEU   7  -4.236  -2.619  -4.751
   52   2HB   LEU   7          2HB       LEU   7  -3.323  -4.103  -4.946
   53    HG   LEU   7           HG       LEU   7  -5.975  -3.936  -6.307
   54   1HD1  LEU   7          1HD1      LEU   7  -4.230  -2.916  -8.207
   55   2HD1  LEU   7          2HD1      LEU   7  -5.513  -2.026  -7.352
   56   3HD1  LEU   7          3HD1      LEU   7  -3.844  -1.996  -6.734
   57   1HD2  LEU   7          1HD2      LEU   7  -4.372  -5.934  -6.302
   58   2HD2  LEU   7          2HD2      LEU   7  -5.016  -5.393  -7.871
   59   3HD2  LEU   7          3HD2      LEU   7  -3.355  -4.963  -7.394
   60    H    CYS   8           H        CYS   8  -4.818  -6.064  -1.941
   61    HA   CYS   8           HA       CYS   8  -3.840  -4.005  -0.103
   62   1HB   CYS   8          1HB       CYS   8  -5.189  -6.644   0.510
   63   2HB   CYS   8          2HB       CYS   8  -4.540  -5.540   1.707
   64    H    CYS   9           H        CYS   9  -2.175  -4.935   1.532
   65    HA   CYS   9           HA       CYS   9  -0.245  -6.436  -0.007
   66   1HB   CYS   9          1HB       CYS   9   0.044  -5.128   2.704
   67   2HB   CYS   9          2HB       CYS   9   1.336  -5.815   1.738
   68    H    ASP  10           H        ASP  10   0.870  -8.335   1.007
   69    HA   ASP  10           HA       ASP  10  -1.077  -9.925   2.385
   70   1HB   ASP  10          1HB       ASP  10   1.579 -10.417   1.025
   71   2HB   ASP  10          2HB       ASP  10   0.989 -11.615   2.160
   72    H    GLY  11           H        GLY  11   1.523  -7.810   3.119
   73   1HA   GLY  11          1HA       GLY  11   2.124  -7.237   5.294
   74   2HA   GLY  11          2HA       GLY  11   1.662  -8.829   5.862
   75    H    ALA  12           H        ALA  12   3.043 -10.346   3.734
   76    HA   ALA  12           HA       ALA  12   5.814  -9.574   3.942
   77   1HB   ALA  12          1HB       ALA  12   4.698 -11.231   5.931
   78   2HB   ALA  12          2HB       ALA  12   5.561 -12.334   4.832
   79   3HB   ALA  12          3HB       ALA  12   6.426 -10.976   5.591
   80    H    LEU  13           H        LEU  13   4.928  -9.401   1.602
   81    HA   LEU  13           HA       LEU  13   6.014 -11.464   0.112
   82   1HB   LEU  13          1HB       LEU  13   4.219 -12.868   0.798
   83   2HB   LEU  13          2HB       LEU  13   3.024 -11.636   0.447
   84    HG   LEU  13           HG       LEU  13   4.309 -12.014  -1.997
   85   1HD1  LEU  13          1HD1      LEU  13   4.974 -14.123  -2.293
   86   2HD1  LEU  13          2HD1      LEU  13   5.025 -14.223  -0.516
   87   3HD1  LEU  13          3HD1      LEU  13   3.585 -14.786  -1.398
   88   1HD2  LEU  13          1HD2      LEU  13   1.691 -12.926  -0.828
   89   2HD2  LEU  13          2HD2      LEU  13   2.018 -11.627  -2.000
   90   3HD2  LEU  13          3HD2      LEU  13   2.139 -13.330  -2.503
   91    H    LYS  14           H        LYS  14   2.895 -10.159  -0.945
   92    HA   LYS  14           HA       LYS  14   4.100  -7.779  -2.025
   93   1HB   LYS  14          1HB       LYS  14   3.582 -10.193  -3.697
   94   2HB   LYS  14          2HB       LYS  14   3.112  -8.644  -4.368
   95   1HG   LYS  14          1HG       LYS  14   5.276  -8.255  -4.915
   96   2HG   LYS  14          2HG       LYS  14   5.681  -8.220  -3.211
   97   1HD   LYS  14          1HD       LYS  14   5.520 -10.935  -3.614
   98   2HD   LYS  14          2HD       LYS  14   6.046 -10.417  -5.204
   99   1HE   LYS  14          1HE       LYS  14   7.526  -9.058  -3.035
  100   2HE   LYS  14          2HE       LYS  14   7.697 -10.801  -2.969
  101   1HZ   LYS  14          1HZ       LYS  14   9.307  -9.536  -4.469
  102   2HZ   LYS  14          2HZ       LYS  14   8.593 -10.836  -5.141
  103    H    ALA  15           H        ALA  15   2.208  -6.840  -3.675
  104    HA   ALA  15           HA       ALA  15  -0.131  -6.801  -1.934
  105   1HB   ALA  15          1HB       ALA  15   0.069  -4.598  -2.332
  106   2HB   ALA  15          2HB       ALA  15   1.336  -4.887  -3.547
  107   3HB   ALA  15          3HB       ALA  15  -0.377  -4.913  -4.025
  108    H    VAL  16           H        VAL  16  -1.839  -8.073  -2.428
  109    HA   VAL  16           HA       VAL  16  -2.210  -8.730  -5.270
  110    HB   VAL  16           HB       VAL  16  -1.484 -10.523  -3.505
  111   1HG1  VAL  16          1HG1      VAL  16  -4.404 -10.975  -3.121
  112   2HG1  VAL  16          2HG1      VAL  16  -3.030 -11.372  -2.062
  113   3HG1  VAL  16          3HG1      VAL  16  -3.644  -9.702  -2.135
  114   1HG2  VAL  16          1HG2      VAL  16  -2.439 -10.692  -5.972
  115   2HG2  VAL  16          2HG2      VAL  16  -2.242 -12.139  -4.955
  116   3HG2  VAL  16          3HG2      VAL  16  -3.846 -11.388  -5.133
  117    H    SER  17           H        SER  17  -4.697  -9.609  -5.453
  118    HA   SER  17           HA       SER  17  -6.208  -7.325  -4.522
  119   1HB   SER  17          1HB       SER  17  -7.807  -8.991  -6.201
  120   2HB   SER  17          2HB       SER  17  -7.112  -7.429  -6.587
  121    HG   SER  17           HG       SER  17  -6.087 -10.050  -7.131
  122    H    ALA  18           H        ALA  18  -7.438  -7.543  -2.693
  123    HA   ALA  18           HA       ALA  18  -8.268 -10.263  -1.965
  124   1HB   ALA  18          1HB       ALA  18  -8.618  -8.268   0.111
  125   2HB   ALA  18          2HB       ALA  18  -7.599  -9.727   0.113
  126   3HB   ALA  18          3HB       ALA  18  -6.960  -8.198  -0.535
  127    H    CYS  19           H        CYS  19 -10.461 -10.602  -1.218
  128    HA   CYS  19           HA       CYS  19 -12.280  -8.708  -2.476
  129   1HB   CYS  19          1HB       CYS  19 -12.500 -10.979  -3.235
  130   2HB   CYS  19          2HB       CYS  19 -12.634 -11.576  -1.593
  131    H    LEU  20           H        LEU  20 -12.153  -7.089  -0.762
  132    HA   LEU  20           HA       LEU  20 -13.425  -7.989   1.731
  133   1HB   LEU  20          1HB       LEU  20 -10.969  -6.560   1.261
  134   2HB   LEU  20          2HB       LEU  20 -12.079  -5.552   2.170
  135    HG   LEU  20           HG       LEU  20 -12.370  -7.606   3.719
  136   1HD1  LEU  20          1HD1      LEU  20 -10.894  -9.348   3.662
  137   2HD1  LEU  20          2HD1      LEU  20 -11.012  -8.995   1.922
  138   3HD1  LEU  20          3HD1      LEU  20  -9.622  -8.398   2.859
  139   1HD2  LEU  20          1HD2      LEU  20  -9.699  -6.177   3.704
  140   2HD2  LEU  20          2HD2      LEU  20 -11.226  -5.478   4.294
  141   3HD2  LEU  20          3HD2      LEU  20 -10.530  -6.902   5.102
  142    H    HIS  21           H        HIS  21 -14.827  -6.332   2.784
  143    HA   HIS  21           HA       HIS  21 -16.280  -4.922   0.699
  144   1HB   HIS  21          1HB       HIS  21 -17.122  -5.353   3.571
  145   2HB   HIS  21          2HB       HIS  21 -18.129  -4.893   2.213
  146    HD1  HIS  21           1HD      HIS  21 -17.887  -6.903   0.131
  147    HD2  HIS  21           2HD      HIS  21 -17.474  -7.982   4.165
  148    HE1  HIS  21           1HE      HIS  21 -18.334  -9.412   0.250
  149    H    GLU  22           H        GLU  22 -17.391  -2.772   1.678
  150    HA   GLU  22           HA       GLU  22 -15.253  -1.014   2.017
  151   1HB   GLU  22          1HB       GLU  22 -18.114  -0.876   1.574
  152   2HB   GLU  22          2HB       GLU  22 -17.679   0.265   2.832
  153   1HG   GLU  22          1HG       GLU  22 -16.488   1.606   1.393
  154   2HG   GLU  22          2HG       GLU  22 -15.794   0.245   0.534
  155    H    SER  23           H        SER  23 -17.405  -2.728   4.262
  156    HA   SER  23           HA       SER  23 -16.720  -1.060   6.459
  157   1HB   SER  23          1HB       SER  23 -18.626  -3.144   5.884
  158   2HB   SER  23          2HB       SER  23 -17.739  -3.614   7.320
  159    HG   SER  23           HG       SER  23 -18.194  -1.205   7.953
  160    H    GLU  24           H        GLU  24 -14.858  -3.078   4.674
  161    HA   GLU  24           HA       GLU  24 -13.413  -3.997   7.036
  162   1HB   GLU  24          1HB       GLU  24 -14.569  -5.758   5.439
  163   2HB   GLU  24          2HB       GLU  24 -13.220  -5.421   4.371
  164   1HG   GLU  24          1HG       GLU  24 -12.491  -7.268   5.695
  165   2HG   GLU  24          2HG       GLU  24 -11.672  -5.880   6.384
  166    H    SER  25           H        SER  25 -11.021  -4.085   6.781
  167    HA   SER  25           HA       SER  25 -10.026  -2.614   4.509
  168   1HB   SER  25          1HB       SER  25 -10.512  -1.298   6.941
  169   2HB   SER  25          2HB       SER  25  -8.798  -1.655   7.006
  170    HG   SER  25           HG       SER  25  -8.440  -0.485   5.112
  171    H    CYS  26           H        CYS  26  -7.817  -3.121   4.029
  172    HA   CYS  26           HA       CYS  26  -6.652  -5.129   5.819
  173   1HB   CYS  26          1HB       CYS  26  -5.571  -5.749   3.400
  174   2HB   CYS  26          2HB       CYS  26  -6.918  -6.577   4.155
  175    H    LEU  27           H        LEU  27  -4.141  -5.280   5.313
  176    HA   LEU  27           HA       LEU  27  -3.063  -2.735   5.775
  177   1HB   LEU  27          1HB       LEU  27  -2.233  -5.067   6.459
  178   2HB   LEU  27          2HB       LEU  27  -1.515  -5.148   4.862
  179    HG   LEU  27           HG       LEU  27   0.137  -4.463   6.488
  180   1HD1  LEU  27          1HD1      LEU  27   1.142  -2.985   5.126
  181   2HD1  LEU  27          2HD1      LEU  27  -0.274  -3.268   4.085
  182   3HD1  LEU  27          3HD1      LEU  27  -0.231  -1.851   5.162
  183   1HD2  LEU  27          1HD2      LEU  27  -0.648  -1.833   7.201
  184   2HD2  LEU  27          2HD2      LEU  27  -2.012  -2.915   7.573
  185   3HD2  LEU  27          3HD2      LEU  27  -0.402  -3.245   8.258
  186    H    VAL  28           H        VAL  28  -3.559  -1.243   4.160
  187    HA   VAL  28           HA       VAL  28  -3.086  -1.921   1.413
  188    HB   VAL  28           HB       VAL  28  -4.422   0.123   2.955
  189   1HG1  VAL  28          1HG1      VAL  28  -2.523   1.047   0.791
  190   2HG1  VAL  28          2HG1      VAL  28  -4.002   1.952   1.197
  191   3HG1  VAL  28          3HG1      VAL  28  -2.747   1.695   2.434
  192   1HG2  VAL  28          1HG2      VAL  28  -5.524  -1.348   1.343
  193   2HG2  VAL  28          2HG2      VAL  28  -5.730   0.357   0.876
  194   3HG2  VAL  28          3HG2      VAL  28  -4.547  -0.661   0.022
  195    HA   PRO  29           HA       PRO  29   1.019  -0.582   1.232
  196   1HB   PRO  29          1HB       PRO  29   1.271   0.027  -1.420
  197   2HB   PRO  29          2HB       PRO  29   1.342  -1.611  -0.802
  198   1HG   PRO  29          1HG       PRO  29  -0.856  -0.273  -2.256
  199   2HG   PRO  29          2HG       PRO  29  -0.586  -1.987  -2.009
  200   1HD   PRO  29          1HD       PRO  29  -2.484  -0.333  -0.633
  201   2HD   PRO  29          2HD       PRO  29  -2.133  -2.019  -0.307
  202    H    GLY  30           H        GLY  30   2.389   1.286  -0.173
  203   1HA   GLY  30          1HA       GLY  30   0.943   3.796   0.240
  204   2HA   GLY  30          2HA       GLY  30   2.375   3.516   1.209
  205    H    ASP  31           H        ASP  31   1.811   5.527  -0.986
  206    HA   ASP  31           HA       ASP  31   3.818   4.637  -2.894
  207   1HB   ASP  31          1HB       ASP  31   2.048   7.097  -3.160
  208   2HB   ASP  31          2HB       ASP  31   2.906   6.252  -4.434
  209    H    CYS  32           H        CYS  32   5.837   5.330  -2.116
  210    HA   CYS  32           HA       CYS  32   5.975   7.837  -0.685
  211   1HB   CYS  32          1HB       CYS  32   8.412   6.238  -1.299
  212   2HB   CYS  32          2HB       CYS  32   7.995   7.151   0.137
  213    H    CYS  33           H        CYS  33   6.550   9.743  -1.690
  214    HA   CYS  33           HA       CYS  33   7.502   9.514  -4.436
  215   1HB   CYS  33          1HB       CYS  33   5.896  11.524  -2.941
  216   2HB   CYS  33          2HB       CYS  33   6.957  12.125  -4.200
  217    H    ARG  34           H        ARG  34   9.450  10.600  -5.076
  218    HA   ARG  34           HA       ARG  34  10.894  11.912  -2.946
  219   1HB   ARG  34          1HB       ARG  34  11.753   9.621  -2.862
  220   2HB   ARG  34          2HB       ARG  34  11.938   9.566  -4.603
  221   1HG   ARG  34          1HG       ARG  34  13.408  11.855  -3.763
  222   2HG   ARG  34          2HG       ARG  34  13.782  10.608  -2.590
  223   1HD   ARG  34          1HD       ARG  34  15.394  10.248  -4.292
  224   2HD   ARG  34          2HD       ARG  34  14.174   9.039  -4.639
  225    HE   ARG  34           HE       ARG  34  13.511  11.454  -6.043
  226   1HH1  ARG  34          1HH1      ARG  34  15.878   8.818  -6.125
  227   2HH1  ARG  34          2HH1      ARG  34  16.161   8.959  -7.828
  228   1HH2  ARG  34          1HH2      ARG  34  14.978  10.626  -9.080
  229    H    GLY  35           H        GLY  35  11.047  13.949  -3.884
  230   1HA   GLY  35          1HA       GLY  35  11.769  15.547  -5.296
  231   2HA   GLY  35          2HA       GLY  35  12.721  14.338  -6.135
  232    H    LYS  36           H        LYS  36  11.728  13.053  -7.865
  233    HA   LYS  36           HA       LYS  36   9.123  14.004  -8.752
  234   1HB   LYS  36          1HB       LYS  36  11.341  13.897 -10.772
  235   2HB   LYS  36          2HB       LYS  36   9.812  14.749 -10.839
  236   1HG   LYS  36          1HG       LYS  36  10.715  16.144  -8.819
  237   2HG   LYS  36          2HG       LYS  36  12.283  15.470  -9.219
  238   1HD   LYS  36          1HD       LYS  36  10.913  16.479 -11.617
  239   2HD   LYS  36          2HD       LYS  36  11.068  17.730 -10.400
  240   1HE   LYS  36          1HE       LYS  36  13.583  16.557 -10.305
  241   2HE   LYS  36          2HE       LYS  36  13.181  16.380 -12.002
  242   1HZ   LYS  36          1HZ       LYS  36  14.137  18.654 -10.883
  243   2HZ   LYS  36          2HZ       LYS  36  13.355  18.602 -12.310
  244    H    SER  37           H        SER  37  10.351  11.534  -7.493
  245    HA   SER  37           HA       SER  37   9.475   9.738  -9.606
  246   1HB   SER  37          1HB       SER  37  11.989   9.575  -7.932
  247   2HB   SER  37          2HB       SER  37  11.230   8.096  -8.486
  248    HG   SER  37           HG       SER  37  11.852  10.260 -10.295
  249    H    ARG  38           H        ARG  38   7.804   8.445  -8.909
  250    HA   ARG  38           HA       ARG  38   7.431   8.329  -6.031
  251   1HB   ARG  38          1HB       ARG  38   5.526   9.305  -7.223
  252   2HB   ARG  38          2HB       ARG  38   5.486   7.974  -8.362
  253   1HG   ARG  38          1HG       ARG  38   4.946   6.399  -6.473
  254   2HG   ARG  38          2HG       ARG  38   4.938   7.756  -5.364
  255   1HD   ARG  38          1HD       ARG  38   2.658   7.609  -5.877
  256   2HD   ARG  38          2HD       ARG  38   3.175   8.792  -7.062
  257    HE   ARG  38           HE       ARG  38   3.526   6.227  -8.236
  258   1HH1  ARG  38          1HH1      ARG  38   0.866   8.282  -7.116
  259   2HH1  ARG  38          2HH1      ARG  38  -0.281   7.619  -8.230
  260   1HH2  ARG  38          1HH2      ARG  38   0.414   5.895  -9.744
  261    H    LEU  39           H        LEU  39   6.727   6.238  -5.070
  262    HA   LEU  39           HA       LEU  39   6.982   3.900  -6.746
  263   1HB   LEU  39          1HB       LEU  39   9.235   3.996  -6.334
  264   2HB   LEU  39          2HB       LEU  39   9.040   4.727  -4.753
  265    HG   LEU  39           HG       LEU  39   8.163   1.887  -5.233
  266   1HD1  LEU  39          1HD1      LEU  39  10.242   1.260  -5.707
  267   2HD1  LEU  39          2HD1      LEU  39  10.884   2.888  -5.384
  268   3HD1  LEU  39          3HD1      LEU  39  10.681   1.730  -4.048
  269   1HD2  LEU  39          1HD2      LEU  39   7.521   2.161  -3.117
  270   2HD2  LEU  39          2HD2      LEU  39   9.251   2.127  -2.700
  271   3HD2  LEU  39          3HD2      LEU  39   8.427   3.685  -2.949
  272    H    THR  40           H        THR  40   5.450   2.457  -6.143
  273    HA   THR  40           HA       THR  40   4.307   2.818  -3.453
  274    HB   THR  40           HB       THR  40   2.965   1.559  -5.889
  275    HG1  THR  40           1HG      THR  40   2.760   3.651  -6.597
  276   1HG2  THR  40          1HG2      THR  40   1.081   2.990  -4.491
  277   2HG2  THR  40          2HG2      THR  40   1.401   1.262  -4.203
  278   3HG2  THR  40          3HG2      THR  40   2.154   2.494  -3.160
  279    H    LEU  41           H        LEU  41   4.716   1.294  -1.991
  280    HA   LEU  41           HA       LEU  41   4.806  -1.458  -2.851
  281   1HB   LEU  41          1HB       LEU  41   7.192  -0.241  -1.459
  282   2HB   LEU  41          2HB       LEU  41   6.980  -1.920  -1.909
  283    HG   LEU  41           HG       LEU  41   7.117   0.357  -3.902
  284   1HD1  LEU  41          1HD1      LEU  41   9.354  -1.591  -3.407
  285   2HD1  LEU  41          2HD1      LEU  41   9.388  -0.004  -4.212
  286   3HD1  LEU  41          3HD1      LEU  41   9.208  -0.102  -2.444
  287   1HD2  LEU  41          1HD2      LEU  41   7.647  -2.519  -4.554
  288   2HD2  LEU  41          2HD2      LEU  41   5.969  -1.944  -4.416
  289   3HD2  LEU  41          3HD2      LEU  41   7.073  -1.195  -5.596
  290    H    CYS  42           H        CYS  42   5.442  -2.785  -0.634
  291    HA   CYS  42           HA       CYS  42   3.647  -1.607   1.355
  292   1HB   CYS  42          1HB       CYS  42   4.337  -4.530   1.038
  293   2HB   CYS  42          2HB       CYS  42   3.105  -3.830   2.067
  294    H    SER  43           H        SER  43   4.667  -0.875   3.186
  295    HA   SER  43           HA       SER  43   6.751  -2.420   4.329
  296   1HB   SER  43          1HB       SER  43   8.280  -0.260   4.378
  297   2HB   SER  43          2HB       SER  43   8.333  -1.346   3.004
  298    HG   SER  43           HG       SER  43   6.724   0.089   1.958
  299    H    TYR  44           H        TYR  44   6.982  -1.930   6.571
  300    HA   TYR  44           HA       TYR  44   4.998  -0.014   7.549
  301   1HB   TYR  44          1HB       TYR  44   6.674  -2.232   8.883
  302   2HB   TYR  44          2HB       TYR  44   5.356  -1.377   9.658
  303    HD1  TYR  44           1HD      TYR  44   6.224  -4.341   8.033
  304    HD2  TYR  44           2HD      TYR  44   3.042  -1.491   8.258
  305    HE1  TYR  44           1HE      TYR  44   4.585  -6.094   7.192
  306    HE2  TYR  44           2HE      TYR  44   1.414  -3.252   7.417
  307    HH   TYR  44           HH       TYR  44   2.231  -6.546   7.289
  308    H    GLY  45           H        GLY  45   5.725   0.895   9.862
  309   1HA   GLY  45          1HA       GLY  45   8.425   2.040   9.470
  310   2HA   GLY  45          2HA       GLY  45   7.059   2.904  10.149
  311    H    GLU  46           H        GLU  46   8.847  -0.225  10.673
  312    HA   GLU  46           HA       GLU  46   9.529  -1.226  12.474
  313   1HB   GLU  46          1HB       GLU  46  10.041   1.574  12.975
  314   2HB   GLU  46          2HB       GLU  46   9.608   0.812  14.492
  315   1HG   GLU  46          1HG       GLU  46  12.095   0.734  13.910
  316   2HG   GLU  46          2HG       GLU  46  11.375  -0.813  14.310
  317    H    GLY  47           H        GLY  47   6.516  -0.263  12.050
  318   1HA   GLY  47          1HA       GLY  47   4.595  -1.028  12.993
  319   2HA   GLY  47          2HA       GLY  47   5.508  -1.706  14.327
  320    H    GLY  48           H        GLY  48   4.400   1.456  12.943
  321   1HA   GLY  48          1HA       GLY  48   3.421   2.329  15.479
  322   2HA   GLY  48          2HA       GLY  48   4.933   3.115  15.069
  323    H    ASN  49           H        ASN  49   5.014   3.859  12.583
  324    HA   ASN  49           HA       ASN  49   2.680   5.512  12.305
  325   1HB   ASN  49          1HB       ASN  49   5.307   5.426  10.729
  326   2HB   ASN  49          2HB       ASN  49   4.060   6.637  10.507
  327   1HD2  ASN  49          1HD2      ASN  49   4.628   8.475  11.364
  328   2HD2  ASN  49          2HD2      ASN  49   5.407   8.732  12.890
  329    H    GLY  50           H        GLY  50   2.229   2.710  11.815
  330   1HA   GLY  50          1HA       GLY  50   1.479   1.240  10.283
  331   2HA   GLY  50          2HA       GLY  50   0.866   2.653   9.445
  332    H    PHE  51           H        PHE  51   1.715   3.194   7.457
  333    HA   PHE  51           HA       PHE  51   3.748   1.447   6.418
  334   1HB   PHE  51          1HB       PHE  51   1.741   2.109   5.097
  335   2HB   PHE  51          2HB       PHE  51   2.081   3.807   5.365
  336    HD1  PHE  51           1HD      PHE  51   3.425   0.764   3.715
  337    HD2  PHE  51           2HD      PHE  51   3.413   5.005   3.858
  338    HE1  PHE  51           1HE      PHE  51   4.739   0.840   1.578
  339    HE2  PHE  51           2HE      PHE  51   4.728   5.081   1.721
  340    HZ   PHE  51           HZ       PHE  51   5.375   2.997   0.607
  341    H    GLN  52           H        GLN  52   5.766   2.135   5.480
  342    HA   GLN  52           HA       GLN  52   6.545   4.847   6.113
  343   1HB   GLN  52          1HB       GLN  52   7.297   2.687   7.756
  344   2HB   GLN  52          2HB       GLN  52   8.703   2.960   6.747
  345   1HG   GLN  52          1HG       GLN  52   7.480   5.466   7.761
  346   2HG   GLN  52          2HG       GLN  52   8.058   4.410   9.035
  347   1HE2  GLN  52          1HE2      GLN  52  10.245   3.298   8.373
  348   2HE2  GLN  52          2HE2      GLN  52  11.492   4.381   7.849
  349    H    CYS  53           H        CYS  53   9.395   4.278   5.505
  350    HA   CYS  53           HA       CYS  53   9.704   2.896   3.136
  351   1HB   CYS  53          1HB       CYS  53   8.343   5.384   2.748
  352   2HB   CYS  53          2HB       CYS  53   9.945   5.512   2.049
  353    HA   PRO  54           HA       PRO  54  13.777   4.189   4.008
  354   1HB   PRO  54          1HB       PRO  54  15.038   4.375   1.590
  355   2HB   PRO  54          2HB       PRO  54  14.718   2.849   2.390
  356   1HG   PRO  54          1HG       PRO  54  13.344   4.045   0.062
  357   2HG   PRO  54          2HG       PRO  54  13.336   2.379   0.604
  358   1HD   PRO  54          1HD       PRO  54  11.239   4.305   0.949
  359   2HD   PRO  54          2HD       PRO  54  11.280   2.676   1.591
  360    H    THR  55           H        THR  55  15.651   5.788   3.674
  361    HA   THR  55           HA       THR  55  14.527   8.341   4.035
  362    HB   THR  55           HB       THR  55  17.360   7.302   3.530
  363    HG1  THR  55           1HG      THR  55  16.647   6.702   5.583
  364   1HG2  THR  55          1HG2      THR  55  16.299  10.080   3.871
  365   2HG2  THR  55          2HG2      THR  55  17.625   9.632   4.970
  366   3HG2  THR  55          3HG2      THR  55  17.860   9.542   3.208
  367    H    GLY  56           H        GLY  56  13.888   9.890   2.669
  368   1HA   GLY  56          1HA       GLY  56  14.300  11.210   0.741
  369   2HA   GLY  56          2HA       GLY  56  14.943   9.804  -0.083
  370    H    TYR  57           H        TYR  57  12.466   8.395   1.492
  371    HA   TYR  57           HA       TYR  57  10.603   8.940  -0.713
  372   1HB   TYR  57          1HB       TYR  57  11.332   6.608   1.129
  373   2HB   TYR  57          2HB       TYR  57   9.748   6.620   0.378
  374    HD1  TYR  57           1HD      TYR  57  13.017   7.714  -1.078
  375    HD2  TYR  57           2HD      TYR  57   9.835   4.855  -1.166
  376    HE1  TYR  57           1HE      TYR  57  14.000   6.674  -3.179
  377    HE2  TYR  57           2HE      TYR  57  10.829   3.825  -3.267
  378    HH   TYR  57           HH       TYR  57  12.273   4.569  -5.124
  379    H    ARG  58           H        ARG  58   8.863  10.168  -0.213
  380    HA   ARG  58           HA       ARG  58   7.786   9.813   2.462
  381   1HB   ARG  58          1HB       ARG  58   7.198  12.317   2.387
  382   2HB   ARG  58          2HB       ARG  58   8.898  11.945   2.596
  383   1HG   ARG  58          1HG       ARG  58   8.121  12.107  -0.252
  384   2HG   ARG  58          2HG       ARG  58   7.806  13.599   0.613
  385   1HD   ARG  58          1HD       ARG  58  10.480  12.167   0.878
  386   2HD   ARG  58          2HD       ARG  58  10.174  13.272  -0.447
  387    HE   ARG  58           HE       ARG  58  10.649  13.993   2.328
  388   1HH1  ARG  58          1HH1      ARG  58   8.964  15.034  -0.610
  389   2HH1  ARG  58          2HH1      ARG  58   8.943  16.706  -0.156
  390   1HH2  ARG  58          1HH2      ARG  58   9.924  17.367   1.928
  391    H    GLN  59           H        GLN  59   5.608   9.304   2.408
  392    HA   GLN  59           HA       GLN  59   4.229   8.622   0.306
  393   1HB   GLN  59          1HB       GLN  59   3.553   8.727   2.831
  394   2HB   GLN  59          2HB       GLN  59   2.820  10.268   2.432
  395   1HG   GLN  59          1HG       GLN  59   1.240   9.290   0.956
  396   2HG   GLN  59          2HG       GLN  59   2.201   7.843   0.722
  397   1HE2  GLN  59          1HE2      GLN  59   2.691   6.634   2.835
  398   2HE2  GLN  59          2HE2      GLN  59   1.351   6.357   3.896
  399    H    CYS  60           H        CYS  60   3.012   9.493  -1.400
  400    HA   CYS  60           HA       CYS  60   3.618  12.211  -2.029
  401   1HB   CYS  60          1HB       CYS  60   1.691  10.548  -3.606
  402   2HB   CYS  60          2HB       CYS  60   2.825  11.767  -4.156
  Start of MODEL   24
    1   1H    ASP   1          1H        ASP   1 -23.435  -3.319  -5.457
    2    HA   ASP   1           HA       ASP   1 -23.719  -5.612  -5.426
    3   1HB   ASP   1          1HB       ASP   1 -21.192  -5.572  -7.043
    4   2HB   ASP   1          2HB       ASP   1 -22.773  -6.190  -7.476
    5    H    ARG   2           H        ARG   2 -21.437  -7.420  -6.240
    6    HA   ARG   2           HA       ARG   2 -20.830  -8.532  -3.882
    7   1HB   ARG   2          1HB       ARG   2 -18.997  -8.461  -6.332
    8   2HB   ARG   2          2HB       ARG   2 -18.952  -9.673  -5.069
    9   1HG   ARG   2          1HG       ARG   2 -21.663  -9.345  -6.183
   10   2HG   ARG   2          2HG       ARG   2 -20.496  -9.775  -7.417
   11   1HD   ARG   2          1HD       ARG   2 -19.691 -11.611  -5.709
   12   2HD   ARG   2          2HD       ARG   2 -21.217 -11.316  -4.897
   13    HE   ARG   2           HE       ARG   2 -21.575 -11.724  -7.760
   14   1HH1  ARG   2          1HH1      ARG   2 -21.148 -13.419  -4.678
   15   2HH1  ARG   2          2HH1      ARG   2 -21.920 -14.869  -5.226
   16   1HH2  ARG   2          1HH2      ARG   2 -22.762 -14.975  -7.468
   17    H    CYS   3           H        CYS   3 -18.440  -8.805  -2.957
   18    HA   CYS   3           HA       CYS   3 -17.701  -6.607  -1.643
   19   1HB   CYS   3          1HB       CYS   3 -15.893  -7.761  -0.928
   20   2HB   CYS   3          2HB       CYS   3 -16.804  -9.082  -1.630
   21    H    ARG   4           H        ARG   4 -15.794  -5.095  -1.914
   22    HA   ARG   4           HA       ARG   4 -15.707  -4.260  -4.673
   23   1HB   ARG   4          1HB       ARG   4 -16.287  -2.604  -2.869
   24   2HB   ARG   4          2HB       ARG   4 -14.715  -2.858  -2.139
   25   1HG   ARG   4          1HG       ARG   4 -13.587  -2.009  -4.166
   26   2HG   ARG   4          2HG       ARG   4 -15.121  -1.868  -5.000
   27   1HD   ARG   4          1HD       ARG   4 -14.681   0.344  -4.232
   28   2HD   ARG   4          2HD       ARG   4 -15.848  -0.274  -3.081
   29    HE   ARG   4           HE       ARG   4 -13.370  -0.960  -1.988
   30   1HH1  ARG   4          1HH1      ARG   4 -14.919   2.065  -2.990
   31   2HH1  ARG   4          2HH1      ARG   4 -14.060   3.031  -1.838
   32   1HH2  ARG   4          1HH2      ARG   4 -12.488   1.981  -0.365
   33    H    TYR   5           H        TYR   5 -14.239  -6.167  -5.184
   34    HA   TYR   5           HA       TYR   5 -11.896  -6.848  -4.153
   35   1HB   TYR   5          1HB       TYR   5 -13.039  -6.405  -6.911
   36   2HB   TYR   5          2HB       TYR   5 -11.299  -6.617  -6.875
   37    HD1  TYR   5           1HD      TYR   5 -10.301  -8.759  -6.194
   38    HD2  TYR   5           2HD      TYR   5 -14.546  -8.245  -6.360
   39    HE1  TYR   5           1HE      TYR   5 -10.617 -11.280  -6.103
   40    HE2  TYR   5           2HE      TYR   5 -14.847 -10.769  -6.268
   41    HH   TYR   5           HH       TYR   5 -12.318 -12.856  -5.427
   42    H    THR   6           H        THR   6 -10.053  -5.866  -3.496
   43    HA   THR   6           HA       THR   6  -9.112  -3.559  -5.026
   44    HB   THR   6           HB       THR   6 -10.296  -2.434  -3.280
   45    HG1  THR   6           1HG      THR   6  -8.365  -1.482  -2.776
   46   1HG2  THR   6          1HG2      THR   6 -10.210  -3.095  -0.919
   47   2HG2  THR   6          2HG2      THR   6 -10.730  -4.511  -1.863
   48   3HG2  THR   6          3HG2      THR   6  -9.050  -4.395  -1.285
   49    H    LEU   7           H        LEU   7  -6.827  -2.909  -4.125
   50    HA   LEU   7           HA       LEU   7  -5.361  -5.427  -4.029
   51   1HB   LEU   7          1HB       LEU   7  -4.822  -2.669  -4.990
   52   2HB   LEU   7          2HB       LEU   7  -3.459  -3.568  -4.353
   53    HG   LEU   7           HG       LEU   7  -3.922  -3.651  -6.881
   54   1HD1  LEU   7          1HD1      LEU   7  -3.656  -6.360  -5.577
   55   2HD1  LEU   7          2HD1      LEU   7  -2.904  -5.760  -7.074
   56   3HD1  LEU   7          3HD1      LEU   7  -2.371  -5.132  -5.496
   57   1HD2  LEU   7          1HD2      LEU   7  -6.396  -4.157  -6.493
   58   2HD2  LEU   7          2HD2      LEU   7  -5.550  -5.111  -7.735
   59   3HD2  LEU   7          3HD2      LEU   7  -5.880  -5.823  -6.138
   60    H    CYS   8           H        CYS   8  -4.686  -6.204  -2.111
   61    HA   CYS   8           HA       CYS   8  -4.175  -4.220  -0.015
   62   1HB   CYS   8          1HB       CYS   8  -5.232  -7.028   0.373
   63   2HB   CYS   8          2HB       CYS   8  -4.891  -5.863   1.635
   64    H    CYS   9           H        CYS   9  -2.502  -5.052   1.622
   65    HA   CYS   9           HA       CYS   9  -0.480  -6.559   0.147
   66   1HB   CYS   9          1HB       CYS   9  -0.320  -4.463   2.295
   67   2HB   CYS   9          2HB       CYS   9   1.013  -5.569   2.031
   68    H    ASP  10           H        ASP  10   0.599  -8.337   1.227
   69    HA   ASP  10           HA       ASP  10  -1.093  -9.556   3.196
   70   1HB   ASP  10          1HB       ASP  10   1.303 -10.444   1.556
   71   2HB   ASP  10          2HB       ASP  10   0.758 -11.418   2.908
   72    H    GLY  11           H        GLY  11   1.542  -7.417   3.127
   73   1HA   GLY  11          1HA       GLY  11   2.619  -6.552   4.970
   74   2HA   GLY  11          2HA       GLY  11   2.191  -7.966   5.913
   75    H    ALA  12           H        ALA  12   3.096  -9.918   3.829
   76    HA   ALA  12           HA       ALA  12   5.913  -9.356   3.527
   77   1HB   ALA  12          1HB       ALA  12   6.714 -10.727   5.143
   78   2HB   ALA  12          2HB       ALA  12   5.104 -10.547   5.882
   79   3HB   ALA  12          3HB       ALA  12   5.458 -11.954   4.852
   80    H    LEU  13           H        LEU  13   5.294  -9.442   1.273
   81    HA   LEU  13           HA       LEU  13   5.743 -11.833   0.047
   82   1HB   LEU  13          1HB       LEU  13   3.832 -12.877   0.806
   83   2HB   LEU  13          2HB       LEU  13   2.857 -11.423   0.714
   84    HG   LEU  13           HG       LEU  13   3.624 -11.949  -1.940
   85   1HD1  LEU  13          1HD1      LEU  13   4.332 -14.201  -1.203
   86   2HD1  LEU  13          2HD1      LEU  13   2.679 -14.506  -0.617
   87   3HD1  LEU  13          3HD1      LEU  13   2.973 -14.240  -2.352
   88   1HD2  LEU  13          1HD2      LEU  13   1.079 -12.807  -1.892
   89   2HD2  LEU  13          2HD2      LEU  13   1.141 -11.988  -0.313
   90   3HD2  LEU  13          3HD2      LEU  13   1.536 -11.090  -1.797
   91    H    LYS  14           H        LYS  14   2.892  -9.939  -0.963
   92    HA   LYS  14           HA       LYS  14   4.229  -7.876  -2.251
   93   1HB   LYS  14          1HB       LYS  14   4.134  -8.640  -4.602
   94   2HB   LYS  14          2HB       LYS  14   5.306  -9.518  -3.641
   95   1HG   LYS  14          1HG       LYS  14   4.232 -11.499  -3.963
   96   2HG   LYS  14          2HG       LYS  14   2.682 -10.818  -3.509
   97   1HD   LYS  14          1HD       LYS  14   3.983 -10.467  -6.252
   98   2HD   LYS  14          2HD       LYS  14   2.750 -11.659  -5.887
   99   1HE   LYS  14          1HE       LYS  14   1.064 -10.021  -5.576
  100   2HE   LYS  14          2HE       LYS  14   2.218  -8.743  -5.257
  101   1HZ   LYS  14          1HZ       LYS  14   2.221  -8.260  -7.436
  102   2HZ   LYS  14          2HZ       LYS  14   2.683  -9.766  -7.847
  103    H    ALA  15           H        ALA  15   2.680  -6.349  -2.418
  104    HA   ALA  15           HA       ALA  15   0.114  -6.622  -1.735
  105   1HB   ALA  15          1HB       ALA  15  -0.273  -4.524  -2.825
  106   2HB   ALA  15          2HB       ALA  15   1.434  -4.519  -2.320
  107   3HB   ALA  15          3HB       ALA  15   1.010  -4.830  -4.021
  108    H    VAL  16           H        VAL  16  -1.531  -7.898  -2.404
  109    HA   VAL  16           HA       VAL  16  -1.714  -8.417  -5.286
  110    HB   VAL  16           HB       VAL  16  -0.734 -10.323  -3.963
  111   1HG1  VAL  16          1HG1      VAL  16  -3.090  -9.829  -2.353
  112   2HG1  VAL  16          2HG1      VAL  16  -3.085 -11.504  -2.958
  113   3HG1  VAL  16          3HG1      VAL  16  -1.697 -10.888  -2.030
  114   1HG2  VAL  16          1HG2      VAL  16  -3.371 -11.184  -5.124
  115   2HG2  VAL  16          2HG2      VAL  16  -2.156 -10.403  -6.165
  116   3HG2  VAL  16          3HG2      VAL  16  -1.756 -11.910  -5.307
  117    H    SER  17           H        SER  17  -4.051  -9.402  -5.729
  118    HA   SER  17           HA       SER  17  -5.817  -7.395  -4.855
  119   1HB   SER  17          1HB       SER  17  -6.412  -9.984  -6.356
  120   2HB   SER  17          2HB       SER  17  -7.487  -8.605  -6.236
  121    HG   SER  17           HG       SER  17  -6.373  -7.557  -7.752
  122    H    ALA  18           H        ALA  18  -7.855  -7.716  -3.651
  123    HA   ALA  18           HA       ALA  18  -8.078 -10.201  -2.172
  124   1HB   ALA  18          1HB       ALA  18  -8.400  -8.474  -0.107
  125   2HB   ALA  18          2HB       ALA  18  -6.850  -9.261  -0.486
  126   3HB   ALA  18          3HB       ALA  18  -7.162  -7.599  -1.039
  127    H    CYS  19           H        CYS  19 -10.203 -10.355  -1.057
  128    HA   CYS  19           HA       CYS  19 -12.141  -8.639  -2.426
  129   1HB   CYS  19          1HB       CYS  19 -12.195 -11.061  -2.996
  130   2HB   CYS  19          2HB       CYS  19 -12.559 -11.423  -1.321
  131    H    LEU  20           H        LEU  20 -12.244  -6.948  -0.871
  132    HA   LEU  20           HA       LEU  20 -13.298  -7.800   1.731
  133   1HB   LEU  20          1HB       LEU  20 -11.477  -7.040   2.706
  134   2HB   LEU  20          2HB       LEU  20 -10.832  -6.448   1.188
  135    HG   LEU  20           HG       LEU  20 -12.856  -4.862   2.771
  136   1HD1  LEU  20          1HD1      LEU  20 -11.244  -4.993   4.402
  137   2HD1  LEU  20          2HD1      LEU  20  -9.910  -5.151   3.232
  138   3HD1  LEU  20          3HD1      LEU  20 -10.688  -3.571   3.486
  139   1HD2  LEU  20          1HD2      LEU  20 -10.722  -3.741   0.981
  140   2HD2  LEU  20          2HD2      LEU  20 -12.212  -4.420   0.284
  141   3HD2  LEU  20          3HD2      LEU  20 -12.305  -3.063   1.432
  142    H    HIS  21           H        HIS  21 -14.668  -6.120   2.781
  143    HA   HIS  21           HA       HIS  21 -16.049  -4.609   0.697
  144   1HB   HIS  21          1HB       HIS  21 -17.031  -5.531   3.413
  145   2HB   HIS  21          2HB       HIS  21 -17.976  -4.640   2.237
  146    HD1  HIS  21           1HD      HIS  21 -16.680  -8.065   3.019
  147    HD2  HIS  21           2HD      HIS  21 -18.797  -6.145  -0.051
  148    HE1  HIS  21           1HE      HIS  21 -17.655  -9.916   1.558
  149    H    GLU  22           H        GLU  22 -17.330  -2.631   1.963
  150    HA   GLU  22           HA       GLU  22 -15.227  -0.880   2.585
  151   1HB   GLU  22          1HB       GLU  22 -18.176  -0.731   2.238
  152   2HB   GLU  22          2HB       GLU  22 -17.517   0.469   3.332
  153   1HG   GLU  22          1HG       GLU  22 -16.724   1.675   1.585
  154   2HG   GLU  22          2HG       GLU  22 -15.761   0.313   1.047
  155    H    SER  23           H        SER  23 -17.363  -2.962   4.461
  156    HA   SER  23           HA       SER  23 -16.965  -1.523   6.880
  157   1HB   SER  23          1HB       SER  23 -18.626  -3.692   5.934
  158   2HB   SER  23          2HB       SER  23 -17.808  -4.220   7.392
  159    HG   SER  23           HG       SER  23 -19.713  -3.191   8.042
  160    H    GLU  24           H        GLU  24 -14.859  -3.213   4.995
  161    HA   GLU  24           HA       GLU  24 -13.423  -4.177   7.342
  162   1HB   GLU  24          1HB       GLU  24 -14.443  -5.969   5.717
  163   2HB   GLU  24          2HB       GLU  24 -13.154  -5.501   4.627
  164   1HG   GLU  24          1HG       GLU  24 -11.857  -5.812   7.113
  165   2HG   GLU  24          2HG       GLU  24 -13.022  -7.121   7.080
  166    H    SER  25           H        SER  25 -11.056  -4.029   7.194
  167    HA   SER  25           HA       SER  25 -10.149  -2.378   4.986
  168   1HB   SER  25          1HB       SER  25 -10.698  -0.969   7.051
  169   2HB   SER  25          2HB       SER  25  -9.409  -1.811   7.888
  170    HG   SER  25           HG       SER  25  -8.774   0.263   6.890
  171    H    CYS  26           H        CYS  26  -8.227  -3.142   4.139
  172    HA   CYS  26           HA       CYS  26  -6.861  -5.174   5.738
  173   1HB   CYS  26          1HB       CYS  26  -5.823  -5.655   3.378
  174   2HB   CYS  26          2HB       CYS  26  -7.385  -6.301   3.843
  175    H    LEU  27           H        LEU  27  -4.348  -5.230   4.914
  176    HA   LEU  27           HA       LEU  27  -3.327  -2.661   5.669
  177   1HB   LEU  27          1HB       LEU  27  -2.491  -4.952   6.399
  178   2HB   LEU  27          2HB       LEU  27  -1.768  -5.092   4.810
  179    HG   LEU  27           HG       LEU  27  -0.187  -4.359   6.573
  180   1HD1  LEU  27          1HD1      LEU  27  -0.499  -3.349   3.965
  181   2HD1  LEU  27          2HD1      LEU  27  -0.036  -1.962   4.980
  182   3HD1  LEU  27          3HD1      LEU  27   0.987  -3.418   4.943
  183   1HD2  LEU  27          1HD2      LEU  27  -1.611  -1.699   6.597
  184   2HD2  LEU  27          2HD2      LEU  27  -1.959  -2.977   7.787
  185   3HD2  LEU  27          3HD2      LEU  27  -0.322  -2.290   7.673
  186    H    VAL  28           H        VAL  28  -3.703  -1.131   4.077
  187    HA   VAL  28           HA       VAL  28  -3.121  -1.796   1.335
  188    HB   VAL  28           HB       VAL  28  -4.979  -0.269   2.369
  189   1HG1  VAL  28          1HG1      VAL  28  -4.490   1.878   2.925
  190   2HG1  VAL  28          2HG1      VAL  28  -2.897   1.178   3.299
  191   3HG1  VAL  28          3HG1      VAL  28  -3.164   2.001   1.744
  192   1HG2  VAL  28          1HG2      VAL  28  -3.627   0.906  -0.047
  193   2HG2  VAL  28          2HG2      VAL  28  -4.266  -0.754  -0.110
  194   3HG2  VAL  28          3HG2      VAL  28  -5.356   0.605   0.257
  195    HA   PRO  29           HA       PRO  29   0.970  -0.394   1.463
  196   1HB   PRO  29          1HB       PRO  29   1.449  -0.050  -1.205
  197   2HB   PRO  29          2HB       PRO  29   1.515  -1.613  -0.414
  198   1HG   PRO  29          1HG       PRO  29  -0.581  -0.522  -2.191
  199   2HG   PRO  29          2HG       PRO  29  -0.281  -2.190  -1.741
  200   1HD   PRO  29          1HD       PRO  29  -2.350  -0.483  -0.723
  201   2HD   PRO  29          2HD       PRO  29  -1.976  -2.111  -0.191
  202    H    GLY  30           H        GLY  30   2.418   1.375   0.038
  203   1HA   GLY  30          1HA       GLY  30   0.859   3.852   0.021
  204   2HA   GLY  30          2HA       GLY  30   2.183   3.733   1.163
  205    H    ASP  31           H        ASP  31   1.792   5.471  -1.297
  206    HA   ASP  31           HA       ASP  31   4.019   4.475  -2.878
  207   1HB   ASP  31          1HB       ASP  31   2.252   6.848  -3.572
  208   2HB   ASP  31          2HB       ASP  31   3.237   5.889  -4.659
  209    H    CYS  32           H        CYS  32   5.972   5.356  -2.166
  210    HA   CYS  32           HA       CYS  32   5.910   7.942  -0.864
  211   1HB   CYS  32          1HB       CYS  32   8.342   6.211  -1.255
  212   2HB   CYS  32          2HB       CYS  32   8.069   7.462  -0.057
  213    H    CYS  33           H        CYS  33   6.445   9.805  -1.966
  214    HA   CYS  33           HA       CYS  33   7.844   9.437  -4.516
  215   1HB   CYS  33          1HB       CYS  33   6.676  11.388  -5.362
  216   2HB   CYS  33          2HB       CYS  33   5.554  10.129  -4.887
  217    H    ARG  34           H        ARG  34   9.510  11.019  -4.994
  218    HA   ARG  34           HA       ARG  34  10.005  13.064  -3.092
  219   1HB   ARG  34          1HB       ARG  34  11.138  11.410  -1.803
  220   2HB   ARG  34          2HB       ARG  34  11.741  10.575  -3.221
  221   1HG   ARG  34          1HG       ARG  34  13.523  11.887  -2.026
  222   2HG   ARG  34          2HG       ARG  34  13.327  12.370  -3.699
  223   1HD   ARG  34          1HD       ARG  34  13.091  14.501  -2.931
  224   2HD   ARG  34          2HD       ARG  34  11.503  14.026  -2.363
  225    HE   ARG  34           HE       ARG  34  12.997  13.196  -0.273
  226   1HH1  ARG  34          2HH1      ARG  34  13.189  16.225  -2.099
  227   2HH1  ARG  34          1HH1      ARG  34  13.788  17.141  -0.758
  228   1HH2  ARG  34          1HH2      ARG  34  14.132  16.050   1.348
  229    H    GLY  35           H        GLY  35  10.942  14.781  -4.196
  230   1HA   GLY  35          1HA       GLY  35  12.048  15.928  -5.787
  231   2HA   GLY  35          2HA       GLY  35  12.913  14.463  -6.203
  232    H    LYS  36           H        LYS  36  12.077  13.020  -7.837
  233    HA   LYS  36           HA       LYS  36   9.656  13.859  -9.192
  234   1HB   LYS  36          1HB       LYS  36  10.650  14.207 -11.317
  235   2HB   LYS  36          2HB       LYS  36  11.538  15.200 -10.180
  236   1HG   LYS  36          1HG       LYS  36  13.481  14.039 -10.499
  237   2HG   LYS  36          2HG       LYS  36  12.675  12.485 -10.411
  238   1HD   LYS  36          1HD       LYS  36  13.379  12.502 -12.646
  239   2HD   LYS  36          2HD       LYS  36  11.742  13.106 -12.804
  240   1HE   LYS  36          1HE       LYS  36  13.943  15.116 -12.335
  241   2HE   LYS  36          2HE       LYS  36  13.829  14.383 -13.923
  242   1HZ   LYS  36          1HZ       LYS  36  11.508  15.664 -12.589
  243   2HZ   LYS  36          2HZ       LYS  36  12.476  16.456 -13.632
  244    H    SER  37           H        SER  37  10.584  11.594  -7.483
  245    HA   SER  37           HA       SER  37   9.960   9.539  -9.426
  246   1HB   SER  37          1HB       SER  37  11.646   8.011  -8.298
  247   2HB   SER  37          2HB       SER  37  12.345   9.303  -9.254
  248    HG   SER  37           HG       SER  37  12.197  10.459  -6.951
  249    H    ARG  38           H        ARG  38   8.570   7.929  -8.594
  250    HA   ARG  38           HA       ARG  38   8.150   7.970  -5.735
  251   1HB   ARG  38          1HB       ARG  38   6.413   9.479  -6.603
  252   2HB   ARG  38          2HB       ARG  38   5.959   8.323  -7.839
  253   1HG   ARG  38          1HG       ARG  38   5.288   6.695  -6.031
  254   2HG   ARG  38          2HG       ARG  38   5.677   7.906  -4.825
  255   1HD   ARG  38          1HD       ARG  38   3.382   8.286  -5.080
  256   2HD   ARG  38          2HD       ARG  38   4.022   9.443  -6.232
  257    HE   ARG  38           HE       ARG  38   3.732   7.087  -7.706
  258   1HH1  ARG  38          1HH1      ARG  38   1.560   9.135  -5.798
  259   2HH1  ARG  38          2HH1      ARG  38   0.159   8.737  -6.736
  260   1HH2  ARG  38          1HH2      ARG  38   0.373   7.222  -8.581
  261    H    LEU  39           H        LEU  39   7.125   5.956  -4.933
  262    HA   LEU  39           HA       LEU  39   6.658   3.870  -6.868
  263   1HB   LEU  39          1HB       LEU  39   8.666   2.976  -6.790
  264   2HB   LEU  39          2HB       LEU  39   9.208   4.159  -5.616
  265    HG   LEU  39           HG       LEU  39   7.736   1.613  -4.891
  266   1HD1  LEU  39          1HD1      LEU  39   9.875   1.078  -5.952
  267   2HD1  LEU  39          2HD1      LEU  39  10.716   2.166  -4.822
  268   3HD1  LEU  39          3HD1      LEU  39   9.901   0.706  -4.211
  269   1HD2  LEU  39          1HD2      LEU  39   7.676   2.352  -2.799
  270   2HD2  LEU  39          2HD2      LEU  39   9.406   2.769  -2.830
  271   3HD2  LEU  39          3HD2      LEU  39   8.198   3.941  -3.407
  272    H    THR  40           H        THR  40   5.480   2.077  -5.952
  273    HA   THR  40           HA       THR  40   4.422   2.690  -3.270
  274    HB   THR  40           HB       THR  40   3.010   2.897  -5.580
  275    HG1  THR  40           1HG      THR  40   1.222   2.028  -4.002
  276   1HG2  THR  40          1HG2      THR  40   2.515   0.036  -4.610
  277   2HG2  THR  40          2HG2      THR  40   1.677   0.877  -5.936
  278   3HG2  THR  40          3HG2      THR  40   3.389   0.421  -6.113
  279    H    LEU  41           H        LEU  41   4.689   1.197  -1.728
  280    HA   LEU  41           HA       LEU  41   4.877  -1.579  -2.496
  281   1HB   LEU  41          1HB       LEU  41   7.191  -0.079  -1.274
  282   2HB   LEU  41          2HB       LEU  41   7.019  -1.819  -1.165
  283    HG   LEU  41           HG       LEU  41   7.232  -0.240  -3.744
  284   1HD1  LEU  41          1HD1      LEU  41   9.324  -0.176  -2.517
  285   2HD1  LEU  41          2HD1      LEU  41   9.285  -1.943  -2.304
  286   3HD1  LEU  41          3HD1      LEU  41   9.474  -1.246  -3.932
  287   1HD2  LEU  41          1HD2      LEU  41   6.278  -2.042  -4.653
  288   2HD2  LEU  41          2HD2      LEU  41   7.820  -2.868  -4.321
  289   3HD2  LEU  41          3HD2      LEU  41   6.470  -3.008  -3.170
  290    H    CYS  42           H        CYS  42   5.532  -2.766  -0.156
  291    HA   CYS  42           HA       CYS  42   3.588  -1.586   1.692
  292   1HB   CYS  42          1HB       CYS  42   4.331  -4.493   1.712
  293   2HB   CYS  42          2HB       CYS  42   2.897  -3.710   2.347
  294    H    SER  43           H        SER  43   4.568  -0.708   3.480
  295    HA   SER  43           HA       SER  43   6.589  -2.193   4.806
  296   1HB   SER  43          1HB       SER  43   7.354   0.584   3.820
  297   2HB   SER  43          2HB       SER  43   8.371  -0.543   4.693
  298    HG   SER  43           HG       SER  43   8.801  -1.628   2.879
  299    H    TYR  44           H        TYR  44   6.566  -1.694   7.021
  300    HA   TYR  44           HA       TYR  44   4.642   0.369   7.786
  301   1HB   TYR  44          1HB       TYR  44   6.116  -1.786   9.416
  302   2HB   TYR  44          2HB       TYR  44   4.659  -0.944   9.904
  303    HD1  TYR  44           1HD      TYR  44   2.747  -1.168   7.860
  304    HD2  TYR  44           2HD      TYR  44   5.761  -4.014   8.917
  305    HE1  TYR  44           1HE      TYR  44   1.341  -3.039   6.864
  306    HE2  TYR  44           2HE      TYR  44   4.345  -5.875   7.919
  307    HH   TYR  44           HH       TYR  44   1.559  -5.192   6.009
  308    H    GLY  45           H        GLY  45   5.232   1.360  10.088
  309   1HA   GLY  45          1HA       GLY  45   8.074   1.886  10.399
  310   2HA   GLY  45          2HA       GLY  45   7.106   3.249   9.872
  311    H    GLU  46           H        GLU  46   8.493   3.181  12.379
  312    HA   GLU  46           HA       GLU  46   8.202   3.626  14.483
  313   1HB   GLU  46          1HB       GLU  46   5.796   4.604  13.216
  314   2HB   GLU  46          2HB       GLU  46   5.371   3.986  14.800
  315   1HG   GLU  46          1HG       GLU  46   7.437   6.123  14.136
  316   2HG   GLU  46          2HG       GLU  46   5.982   6.307  15.094
  317    H    GLY  47           H        GLY  47   7.367   0.845  13.141
  318   1HA   GLY  47          1HA       GLY  47   7.263  -1.196  14.195
  319   2HA   GLY  47          2HA       GLY  47   6.790  -0.424  15.695
  320    H    GLY  48           H        GLY  48   5.629  -1.349  12.412
  321   1HA   GLY  48          1HA       GLY  48   3.542  -1.656  11.599
  322   2HA   GLY  48          2HA       GLY  48   3.301  -2.530  13.098
  323    H    ASN  49           H        ASN  49   3.728   1.006  12.357
  324    HA   ASN  49           HA       ASN  49   1.195   1.401  13.748
  325   1HB   ASN  49          1HB       ASN  49   3.685   2.401  14.481
  326   2HB   ASN  49          2HB       ASN  49   3.058   3.726  13.520
  327   1HD2  ASN  49          1HD2      ASN  49   3.236   2.452  16.537
  328   2HD2  ASN  49          2HD2      ASN  49   1.869   3.192  17.302
  329    H    GLY  50           H        GLY  50   1.701   0.861  10.841
  330   1HA   GLY  50          1HA       GLY  50   0.092   2.034   9.325
  331   2HA   GLY  50          2HA       GLY  50   1.001   3.490   9.679
  332    H    PHE  51           H        PHE  51   1.782   3.875   7.573
  333    HA   PHE  51           HA       PHE  51   3.549   1.776   6.527
  334   1HB   PHE  51          1HB       PHE  51   1.536   2.367   5.130
  335   2HB   PHE  51          2HB       PHE  51   1.966   4.064   5.209
  336    HD1  PHE  51           1HD      PHE  51   3.256   0.785   4.011
  337    HD2  PHE  51           2HD      PHE  51   3.299   5.003   3.547
  338    HE1  PHE  51           1HE      PHE  51   4.612   0.541   1.912
  339    HE2  PHE  51           2HE      PHE  51   4.654   4.759   1.449
  340    HZ   PHE  51           HZ       PHE  51   5.295   2.531   0.657
  341    H    GLN  52           H        GLN  52   5.597   2.417   5.634
  342    HA   GLN  52           HA       GLN  52   6.371   5.104   6.471
  343   1HB   GLN  52          1HB       GLN  52   7.336   2.772   7.556
  344   2HB   GLN  52          2HB       GLN  52   8.502   3.028   6.272
  345   1HG   GLN  52          1HG       GLN  52   7.961   5.553   7.632
  346   2HG   GLN  52          2HG       GLN  52   8.401   4.329   8.807
  347   1HE2  GLN  52          1HE2      GLN  52  10.323   3.000   8.314
  348   2HE2  GLN  52          2HE2      GLN  52  11.693   3.752   7.567
  349    H    CYS  53           H        CYS  53   8.902   5.254   5.292
  350    HA   CYS  53           HA       CYS  53   8.509   4.530   2.508
  351   1HB   CYS  53          1HB       CYS  53   8.834   7.357   3.508
  352   2HB   CYS  53          2HB       CYS  53   9.260   6.886   1.876
  353    HA   PRO  54           HA       PRO  54  12.783   3.838   3.035
  354   1HB   PRO  54          1HB       PRO  54  13.568   3.551   0.433
  355   2HB   PRO  54          2HB       PRO  54  12.811   2.266   1.353
  356   1HG   PRO  54          1HG       PRO  54  11.645   3.963  -0.768
  357   2HG   PRO  54          2HG       PRO  54  11.066   2.431  -0.148
  358   1HD   PRO  54          1HD       PRO  54  10.010   5.031   0.445
  359   2HD   PRO  54          2HD       PRO  54   9.508   3.509   1.155
  360    H    THR  55           H        THR  55  15.022   4.595   2.530
  361    HA   THR  55           HA       THR  55  15.036   7.395   2.792
  362    HB   THR  55           HB       THR  55  17.127   5.238   2.251
  363    HG1  THR  55           1HG      THR  55  16.228   7.032   4.388
  364   1HG2  THR  55          1HG2      THR  55  18.453   7.002   1.511
  365   2HG2  THR  55          2HG2      THR  55  17.394   8.232   2.242
  366   3HG2  THR  55          3HG2      THR  55  18.553   7.340   3.256
  367    H    GLY  56           H        GLY  56  15.029   9.039   1.381
  368   1HA   GLY  56          1HA       GLY  56  15.662  10.051  -0.631
  369   2HA   GLY  56          2HA       GLY  56  15.769   8.483  -1.405
  370    H    TYR  57           H        TYR  57  13.002   8.365   0.502
  371    HA   TYR  57           HA       TYR  57  11.329   9.432  -1.670
  372   1HB   TYR  57          1HB       TYR  57  11.305   6.840  -0.027
  373   2HB   TYR  57          2HB       TYR  57   9.832   7.404  -0.792
  374    HD1  TYR  57           1HD      TYR  57   9.912   7.808  -3.360
  375    HD2  TYR  57           2HD      TYR  57  12.830   5.518  -1.227
  376    HE1  TYR  57           1HE      TYR  57  10.603   6.661  -5.522
  377    HE2  TYR  57           2HE      TYR  57  13.510   4.379  -3.396
  378    HH   TYR  57           HH       TYR  57  11.831   5.136  -6.434
  379    H    ARG  58           H        ARG  58   9.093  10.002  -0.976
  380    HA   ARG  58           HA       ARG  58   8.831  10.354   1.869
  381   1HB   ARG  58          1HB       ARG  58   9.907  12.459   0.796
  382   2HB   ARG  58          2HB       ARG  58   8.379  12.707  -0.025
  383   1HG   ARG  58          1HG       ARG  58   8.094  12.201   2.888
  384   2HG   ARG  58          2HG       ARG  58   9.005  13.650   2.515
  385   1HD   ARG  58          1HD       ARG  58   6.657  13.470   0.779
  386   2HD   ARG  58          2HD       ARG  58   6.176  13.335   2.459
  387    HE   ARG  58           HE       ARG  58   8.010  15.460   2.397
  388   1HH1  ARG  58          1HH1      ARG  58   4.897  14.739   0.865
  389   2HH1  ARG  58          2HH1      ARG  58   4.434  16.403   0.734
  390   1HH2  ARG  58          1HH2      ARG  58   5.921  18.101   1.541
  391    H    GLN  59           H        GLN  59   6.795   9.611   2.380
  392    HA   GLN  59           HA       GLN  59   4.990   8.652   0.733
  393   1HB   GLN  59          1HB       GLN  59   3.235   9.337   2.518
  394   2HB   GLN  59          2HB       GLN  59   4.588   8.354   3.040
  395   1HG   GLN  59          1HG       GLN  59   5.091  11.289   3.149
  396   2HG   GLN  59          2HG       GLN  59   3.821  10.735   4.223
  397   1HE2  GLN  59          1HE2      GLN  59   4.502   8.373   5.119
  398   2HE2  GLN  59          2HE2      GLN  59   6.018   8.364   5.956
  399    H    CYS  60           H        CYS  60   3.530   9.332  -0.803
  400    HA   CYS  60           HA       CYS  60   3.544  12.115  -1.452
  401   1HB   CYS  60          1HB       CYS  60   3.070   9.678  -2.818
  402   2HB   CYS  60          2HB       CYS  60   1.595  10.617  -2.939
  Start of MODEL   25
    1   1H    ASP   1          1H        ASP   1 -22.556  -5.041  -8.116
    2    HA   ASP   1           HA       ASP   1 -22.055  -7.663  -6.974
    3   1HB   ASP   1          1HB       ASP   1 -19.972  -5.489  -7.343
    4   2HB   ASP   1          2HB       ASP   1 -19.727  -7.223  -7.262
    5    H    ARG   2           H        ARG   2 -20.038  -7.083  -5.128
    6    HA   ARG   2           HA       ARG   2 -20.962  -4.887  -3.521
    7   1HB   ARG   2          1HB       ARG   2 -20.630  -7.539  -2.104
    8   2HB   ARG   2          2HB       ARG   2 -21.574  -6.145  -1.617
    9   1HG   ARG   2          1HG       ARG   2 -23.213  -6.595  -3.437
   10   2HG   ARG   2          2HG       ARG   2 -22.256  -7.960  -3.979
   11   1HD   ARG   2          1HD       ARG   2 -23.904  -8.985  -2.624
   12   2HD   ARG   2          2HD       ARG   2 -22.531  -8.877  -1.540
   13    HE   ARG   2           HE       ARG   2 -23.972  -6.468  -1.217
   14   1HH1  ARG   2          2HH1      ARG   2 -24.548  -9.928  -0.712
   15   2HH1  ARG   2          1HH1      ARG   2 -25.681  -9.678   0.573
   16   1HH2  ARG   2          1HH2      ARG   2 -26.208  -7.442   1.256
   17    H    CYS   3           H        CYS   3 -19.400  -4.436  -1.679
   18    HA   CYS   3           HA       CYS   3 -17.389  -4.248  -0.814
   19   1HB   CYS   3          1HB       CYS   3 -16.882  -6.345  -0.217
   20   2HB   CYS   3          2HB       CYS   3 -17.337  -7.019  -1.769
   21    H    ARG   4           H        ARG   4 -15.202  -3.470  -1.457
   22    HA   ARG   4           HA       ARG   4 -15.129  -2.966  -4.324
   23   1HB   ARG   4          1HB       ARG   4 -15.184  -1.119  -2.220
   24   2HB   ARG   4          2HB       ARG   4 -13.475  -1.200  -2.604
   25   1HG   ARG   4          1HG       ARG   4 -13.925   0.265  -4.286
   26   2HG   ARG   4          2HG       ARG   4 -14.638  -1.092  -5.136
   27   1HD   ARG   4          1HD       ARG   4 -16.302   0.666  -5.112
   28   2HD   ARG   4          2HD       ARG   4 -16.853  -0.561  -3.989
   29    HE   ARG   4           HE       ARG   4 -16.404   0.895  -2.168
   30   1HH1  ARG   4          1HH1      ARG   4 -15.245   2.306  -5.204
   31   2HH1  ARG   4          2HH1      ARG   4 -15.003   3.881  -4.525
   32   1HH2  ARG   4          1HH2      ARG   4 -15.504   4.250  -2.210
   33    H    TYR   5           H        TYR   5 -13.832  -4.798  -4.892
   34    HA   TYR   5           HA       TYR   5 -11.749  -5.886  -3.574
   35   1HB   TYR   5          1HB       TYR   5 -12.038  -5.152  -6.555
   36   2HB   TYR   5          2HB       TYR   5 -10.946  -6.389  -5.964
   37    HD1  TYR   5           1HD      TYR   5 -11.791  -8.553  -5.187
   38    HD2  TYR   5           2HD      TYR   5 -14.460  -5.531  -6.619
   39    HE1  TYR   5           1HE      TYR   5 -13.649 -10.276  -5.381
   40    HE2  TYR   5           2HE      TYR   5 -16.309  -7.264  -6.809
   41    HH   TYR   5           HH       TYR   5 -16.169 -10.218  -5.327
   42    H    THR   6           H        THR   6  -9.811  -5.208  -2.810
   43    HA   THR   6           HA       THR   6  -8.515  -2.981  -4.230
   44    HB   THR   6           HB       THR   6  -8.401  -3.274  -1.210
   45    HG1  THR   6           1HG      THR   6 -10.432  -2.234  -1.149
   46   1HG2  THR   6          1HG2      THR   6  -8.110  -1.060  -3.274
   47   2HG2  THR   6          2HG2      THR   6  -8.572  -0.662  -1.601
   48   3HG2  THR   6          3HG2      THR   6  -7.022  -1.475  -1.927
   49    H    LEU   7           H        LEU   7  -6.139  -2.832  -3.743
   50    HA   LEU   7           HA       LEU   7  -5.088  -5.538  -3.838
   51   1HB   LEU   7          1HB       LEU   7  -3.801  -2.862  -4.398
   52   2HB   LEU   7          2HB       LEU   7  -3.025  -4.422  -4.593
   53    HG   LEU   7           HG       LEU   7  -5.509  -3.569  -6.104
   54   1HD1  LEU   7          1HD1      LEU   7  -3.867  -2.084  -6.865
   55   2HD1  LEU   7          2HD1      LEU   7  -2.587  -3.319  -6.805
   56   3HD1  LEU   7          3HD1      LEU   7  -3.854  -3.410  -8.051
   57   1HD2  LEU   7          1HD2      LEU   7  -3.847  -5.627  -7.310
   58   2HD2  LEU   7          2HD2      LEU   7  -4.441  -6.106  -5.702
   59   3HD2  LEU   7          3HD2      LEU   7  -5.594  -5.617  -6.967
   60    H    CYS   8           H        CYS   8  -4.474  -6.508  -1.987
   61    HA   CYS   8           HA       CYS   8  -3.560  -4.749   0.166
   62   1HB   CYS   8          1HB       CYS   8  -4.478  -7.605   0.476
   63   2HB   CYS   8          2HB       CYS   8  -4.235  -6.404   1.728
   64    H    CYS   9           H        CYS   9  -1.688  -5.601   1.467
   65    HA   CYS   9           HA       CYS   9   0.157  -6.977  -0.315
   66   1HB   CYS   9          1HB       CYS   9   0.439  -5.034   1.919
   67   2HB   CYS   9          2HB       CYS   9   1.716  -6.219   1.731
   68    H    ASP  10           H        ASP  10   1.620  -8.658   0.735
   69    HA   ASP  10           HA       ASP  10  -0.027 -10.337   2.378
   70   1HB   ASP  10          1HB       ASP  10   1.409 -12.097   1.736
   71   2HB   ASP  10          2HB       ASP  10   1.417 -11.055   0.327
   72    H    GLY  11           H        GLY  11   1.571  -7.735   3.210
   73   1HA   GLY  11          1HA       GLY  11   2.357  -7.094   5.254
   74   2HA   GLY  11          2HA       GLY  11   2.474  -8.770   5.754
   75    H    ALA  12           H        ALA  12   3.929  -9.082   2.892
   76    HA   ALA  12           HA       ALA  12   6.541  -8.185   3.908
   77   1HB   ALA  12          1HB       ALA  12   6.074 -10.687   3.975
   78   2HB   ALA  12          2HB       ALA  12   6.002 -10.638   2.197
   79   3HB   ALA  12          3HB       ALA  12   7.508 -10.200   3.039
   80    H    LEU  13           H        LEU  13   7.226  -9.560   1.049
   81    HA   LEU  13           HA       LEU  13   7.087  -7.002  -0.313
   82   1HB   LEU  13          1HB       LEU  13   8.978  -7.600  -1.297
   83   2HB   LEU  13          2HB       LEU  13   9.059  -8.845  -0.067
   84    HG   LEU  13           HG       LEU  13   9.553  -9.831  -2.191
   85   1HD1  LEU  13          1HD1      LEU  13   7.549 -10.751  -0.488
   86   2HD1  LEU  13          2HD1      LEU  13   6.879 -10.966  -2.123
   87   3HD1  LEU  13          3HD1      LEU  13   8.446 -11.696  -1.700
   88   1HD2  LEU  13          1HD2      LEU  13   7.773  -7.957  -3.235
   89   2HD2  LEU  13          2HD2      LEU  13   8.649  -9.222  -4.129
   90   3HD2  LEU  13          3HD2      LEU  13   6.998  -9.531  -3.539
   91    H    LYS  14           H        LYS  14   5.526 -10.145  -0.222
   92    HA   LYS  14           HA       LYS  14   4.560 -10.155  -2.864
   93   1HB   LYS  14          1HB       LYS  14   4.450 -11.819  -0.564
   94   2HB   LYS  14          2HB       LYS  14   2.794 -11.516  -1.046
   95   1HG   LYS  14          1HG       LYS  14   3.161 -12.365  -3.265
   96   2HG   LYS  14          2HG       LYS  14   4.903 -12.288  -3.096
   97   1HD   LYS  14          1HD       LYS  14   3.026 -14.184  -1.610
   98   2HD   LYS  14          2HD       LYS  14   4.148 -14.622  -2.882
   99   1HE   LYS  14          1HE       LYS  14   5.701 -15.008  -1.270
  100   2HE   LYS  14          2HE       LYS  14   5.762 -13.278  -0.999
  101   1HZ   LYS  14          1HZ       LYS  14   5.153 -14.066   1.077
  102   2HZ   LYS  14          2HZ       LYS  14   3.670 -13.775   0.471
  103    H    ALA  15           H        ALA  15   2.167  -9.960  -3.425
  104    HA   ALA  15           HA       ALA  15   0.537  -8.323  -1.791
  105   1HB   ALA  15          1HB       ALA  15   2.493  -6.878  -3.073
  106   2HB   ALA  15          2HB       ALA  15   1.166  -6.813  -4.257
  107   3HB   ALA  15          3HB       ALA  15   0.905  -6.232  -2.595
  108    H    VAL  16           H        VAL  16  -1.550  -8.776  -2.346
  109    HA   VAL  16           HA       VAL  16  -2.071  -9.543  -5.115
  110    HB   VAL  16           HB       VAL  16  -1.585 -11.566  -3.692
  111   1HG1  VAL  16          1HG1      VAL  16  -3.556 -10.293  -1.997
  112   2HG1  VAL  16          2HG1      VAL  16  -4.090 -11.927  -2.458
  113   3HG1  VAL  16          3HG1      VAL  16  -2.512 -11.697  -1.668
  114   1HG2  VAL  16          1HG2      VAL  16  -3.180 -11.324  -5.788
  115   2HG2  VAL  16          2HG2      VAL  16  -3.088 -12.849  -4.874
  116   3HG2  VAL  16          3HG2      VAL  16  -4.440 -11.725  -4.595
  117    H    SER  17           H        SER  17  -4.645  -9.867  -5.279
  118    HA   SER  17           HA       SER  17  -5.675  -7.416  -4.161
  119   1HB   SER  17          1HB       SER  17  -5.996  -7.700  -6.546
  120   2HB   SER  17          2HB       SER  17  -6.671  -9.302  -6.333
  121    HG   SER  17           HG       SER  17  -7.877  -6.877  -5.303
  122    H    ALA  18           H        ALA  18  -7.895  -7.381  -3.182
  123    HA   ALA  18           HA       ALA  18  -8.891  -9.938  -2.257
  124   1HB   ALA  18          1HB       ALA  18  -7.866  -9.804  -0.258
  125   2HB   ALA  18          2HB       ALA  18  -7.229  -8.184  -0.630
  126   3HB   ALA  18          3HB       ALA  18  -8.854  -8.360   0.075
  127    H    CYS  19           H        CYS  19 -11.046  -9.637  -1.133
  128    HA   CYS  19           HA       CYS  19 -12.323  -7.218  -2.185
  129   1HB   CYS  19          1HB       CYS  19 -12.938  -9.438  -3.251
  130   2HB   CYS  19          2HB       CYS  19 -13.679  -9.875  -1.725
  131    H    LEU  20           H        LEU  20 -12.134  -5.942  -0.288
  132    HA   LEU  20           HA       LEU  20 -13.478  -7.074   2.066
  133   1HB   LEU  20          1HB       LEU  20 -10.865  -5.777   1.764
  134   2HB   LEU  20          2HB       LEU  20 -11.853  -5.081   3.033
  135    HG   LEU  20           HG       LEU  20 -12.129  -7.369   4.011
  136   1HD1  LEU  20          1HD1      LEU  20 -11.636  -9.145   2.773
  137   2HD1  LEU  20          2HD1      LEU  20 -10.847  -8.134   1.539
  138   3HD1  LEU  20          3HD1      LEU  20  -9.915  -8.722   2.937
  139   1HD2  LEU  20          1HD2      LEU  20 -10.253  -5.587   4.516
  140   2HD2  LEU  20          2HD2      LEU  20 -10.216  -7.204   5.260
  141   3HD2  LEU  20          3HD2      LEU  20  -9.187  -6.848   3.852
  142    H    HIS  21           H        HIS  21 -14.595  -5.428   3.435
  143    HA   HIS  21           HA       HIS  21 -15.784  -3.440   1.669
  144   1HB   HIS  21          1HB       HIS  21 -16.733  -4.473   4.356
  145   2HB   HIS  21          2HB       HIS  21 -17.606  -3.377   3.305
  146    HD1  HIS  21           1HD      HIS  21 -16.945  -6.972   3.904
  147    HD2  HIS  21           2HD      HIS  21 -18.549  -4.602   0.836
  148    HE1  HIS  21           1HE      HIS  21 -18.185  -8.565   2.343
  149    H    GLU  22           H        GLU  22 -16.658  -1.453   3.229
  150    HA   GLU  22           HA       GLU  22 -14.304  -0.076   3.817
  151   1HB   GLU  22          1HB       GLU  22 -17.151   0.478   3.639
  152   2HB   GLU  22          2HB       GLU  22 -16.499   1.248   5.072
  153   1HG   GLU  22          1HG       GLU  22 -16.035   2.901   3.502
  154   2HG   GLU  22          2HG       GLU  22 -14.541   1.989   3.413
  155    H    SER  23           H        SER  23 -16.496  -2.091   5.723
  156    HA   SER  23           HA       SER  23 -15.580  -1.060   8.207
  157   1HB   SER  23          1HB       SER  23 -17.677  -2.806   7.269
  158   2HB   SER  23          2HB       SER  23 -16.776  -3.662   8.505
  159    HG   SER  23           HG       SER  23 -17.070  -1.780   9.912
  160    H    GLU  24           H        GLU  24 -14.033  -2.788   5.858
  161    HA   GLU  24           HA       GLU  24 -12.471  -4.224   7.856
  162   1HB   GLU  24          1HB       GLU  24 -13.995  -5.625   6.212
  163   2HB   GLU  24          2HB       GLU  24 -12.752  -5.270   5.030
  164   1HG   GLU  24          1HG       GLU  24 -12.089  -7.347   6.005
  165   2HG   GLU  24          2HG       GLU  24 -11.039  -6.153   6.742
  166    H    SER  25           H        SER  25 -10.151  -4.474   7.297
  167    HA   SER  25           HA       SER  25  -9.253  -2.892   5.077
  168   1HB   SER  25          1HB       SER  25  -9.265  -1.866   7.797
  169   2HB   SER  25          2HB       SER  25  -7.609  -2.044   7.250
  170    HG   SER  25           HG       SER  25  -7.955  -0.170   6.269
  171    H    CYS  26           H        CYS  26  -7.345  -3.751   4.227
  172    HA   CYS  26           HA       CYS  26  -6.141  -5.887   5.828
  173   1HB   CYS  26          1HB       CYS  26  -5.260  -6.527   3.428
  174   2HB   CYS  26          2HB       CYS  26  -6.829  -7.046   4.013
  175    H    LEU  27           H        LEU  27  -3.687  -6.211   4.840
  176    HA   LEU  27           HA       LEU  27  -2.314  -3.888   5.637
  177   1HB   LEU  27          1HB       LEU  27  -1.697  -6.439   5.671
  178   2HB   LEU  27          2HB       LEU  27  -1.028  -6.099   4.088
  179    HG   LEU  27           HG       LEU  27  -0.219  -4.223   6.236
  180   1HD1  LEU  27          1HD1      LEU  27   0.335  -7.162   6.377
  181   2HD1  LEU  27          2HD1      LEU  27   1.603  -6.010   6.859
  182   3HD1  LEU  27          3HD1      LEU  27   0.023  -5.991   7.680
  183   1HD2  LEU  27          1HD2      LEU  27   1.314  -5.705   4.081
  184   2HD2  LEU  27          2HD2      LEU  27   0.663  -4.052   3.962
  185   3HD2  LEU  27          3HD2      LEU  27   1.954  -4.418   5.131
  186    H    VAL  28           H        VAL  28  -3.459  -2.337   4.167
  187    HA   VAL  28           HA       VAL  28  -3.126  -2.471   1.394
  188    HB   VAL  28           HB       VAL  28  -4.822  -1.121   2.393
  189   1HG1  VAL  28          1HG1      VAL  28  -2.842  -0.429   4.267
  190   2HG1  VAL  28          2HG1      VAL  28  -3.265   1.087   3.436
  191   3HG1  VAL  28          3HG1      VAL  28  -4.534   0.119   4.225
  192   1HG2  VAL  28          1HG2      VAL  28  -2.685   0.376   0.882
  193   2HG2  VAL  28          2HG2      VAL  28  -4.264  -0.217   0.314
  194   3HG2  VAL  28          3HG2      VAL  28  -4.179   1.192   1.399
  195    HA   PRO  29           HA       PRO  29   1.026  -1.311   0.999
  196   1HB   PRO  29          1HB       PRO  29   1.082  -0.663  -1.656
  197   2HB   PRO  29          2HB       PRO  29   1.174  -2.312  -1.069
  198   1HG   PRO  29          1HG       PRO  29  -1.110  -0.918  -2.327
  199   2HG   PRO  29          2HG       PRO  29  -0.848  -2.640  -2.128
  200   1HD   PRO  29          1HD       PRO  29  -2.607  -0.981  -0.584
  201   2HD   PRO  29          2HD       PRO  29  -2.257  -2.677  -0.313
  202    H    GLY  30           H        GLY  30   2.345   0.549  -0.418
  203   1HA   GLY  30          1HA       GLY  30   0.965   3.080   0.073
  204   2HA   GLY  30          2HA       GLY  30   2.417   2.764   1.001
  205    H    ASP  31           H        ASP  31   1.896   4.837  -1.104
  206    HA   ASP  31           HA       ASP  31   3.790   3.915  -3.110
  207   1HB   ASP  31          1HB       ASP  31   2.067   6.426  -3.217
  208   2HB   ASP  31          2HB       ASP  31   2.918   5.670  -4.549
  209    H    CYS  32           H        CYS  32   5.884   4.650  -2.732
  210    HA   CYS  32           HA       CYS  32   6.235   6.930  -0.991
  211   1HB   CYS  32          1HB       CYS  32   7.966   4.719  -1.996
  212   2HB   CYS  32          2HB       CYS  32   8.744   6.226  -1.558
  213    H    CYS  33           H        CYS  33   6.263   8.952  -1.908
  214    HA   CYS  33           HA       CYS  33   7.283   9.129  -4.650
  215   1HB   CYS  33          1HB       CYS  33   5.183  10.778  -3.237
  216   2HB   CYS  33          2HB       CYS  33   5.922  11.255  -4.753
  217    H    ARG  34           H        ARG  34   8.873  10.745  -5.066
  218    HA   ARG  34           HA       ARG  34   9.535  12.530  -2.932
  219   1HB   ARG  34          1HB       ARG  34  10.836  10.195  -2.751
  220   2HB   ARG  34          2HB       ARG  34  11.827  10.876  -4.025
  221   1HG   ARG  34          1HG       ARG  34  11.478  12.936  -2.055
  222   2HG   ARG  34          2HG       ARG  34  11.872  11.467  -1.186
  223   1HD   ARG  34          1HD       ARG  34  14.036  12.108  -1.674
  224   2HD   ARG  34          2HD       ARG  34  13.714  11.260  -3.173
  225    HE   ARG  34           HE       ARG  34  12.794  13.768  -3.766
  226   1HH1  ARG  34          1HH1      ARG  34  15.835  12.669  -2.316
  227   2HH1  ARG  34          2HH1      ARG  34  16.754  14.000  -2.933
  228   1HH2  ARG  34          1HH2      ARG  34  15.659  15.668  -4.263
  229    H    GLY  35           H        GLY  35  10.105  14.492  -3.850
  230   1HA   GLY  35          1HA       GLY  35  10.470  16.007  -5.481
  231   2HA   GLY  35          2HA       GLY  35  11.840  14.990  -5.880
  232    H    LYS  36           H        LYS  36  11.804  13.672  -7.731
  233    HA   LYS  36           HA       LYS  36   9.304  13.776  -9.271
  234   1HB   LYS  36          1HB       LYS  36  10.679  13.970 -11.313
  235   2HB   LYS  36          2HB       LYS  36  10.835  15.357 -10.255
  236   1HG   LYS  36          1HG       LYS  36  12.998  14.657  -9.468
  237   2HG   LYS  36          2HG       LYS  36  12.795  13.035 -10.099
  238   1HD   LYS  36          1HD       LYS  36  12.542  14.355 -12.434
  239   2HD   LYS  36          2HD       LYS  36  13.457  15.579 -11.576
  240   1HE   LYS  36          1HE       LYS  36  15.090  13.642 -10.931
  241   2HE   LYS  36          2HE       LYS  36  14.280  12.711 -12.174
  242   1HZ   LYS  36          1HZ       LYS  36  14.817  14.570 -13.739
  243   2HZ   LYS  36          2HZ       LYS  36  15.704  15.284 -12.576
  244    H    SER  37           H        SER  37   9.525  11.719  -7.562
  245    HA   SER  37           HA       SER  37   9.936   9.553  -9.383
  246   1HB   SER  37          1HB       SER  37  12.179   9.706  -8.434
  247   2HB   SER  37          2HB       SER  37  11.541   9.795  -6.804
  248    HG   SER  37           HG       SER  37  10.947   7.528  -8.475
  249    H    ARG  38           H        ARG  38   8.891   7.542  -8.590
  250    HA   ARG  38           HA       ARG  38   7.443   7.808  -6.131
  251   1HB   ARG  38          1HB       ARG  38   5.867   8.833  -7.717
  252   2HB   ARG  38          2HB       ARG  38   6.059   7.502  -8.841
  253   1HG   ARG  38          1HG       ARG  38   5.179   6.803  -6.051
  254   2HG   ARG  38          2HG       ARG  38   4.013   7.632  -7.063
  255   1HD   ARG  38          1HD       ARG  38   5.429   5.000  -7.690
  256   2HD   ARG  38          2HD       ARG  38   3.722   5.220  -7.359
  257    HE   ARG  38           HE       ARG  38   5.115   5.833  -9.878
  258   1HH1  ARG  38          1HH1      ARG  38   2.182   6.349  -7.959
  259   2HH1  ARG  38          2HH1      ARG  38   1.214   6.786  -9.328
  260   1HH2  ARG  38          1HH2      ARG  38   2.209   6.815 -11.507
  261    H    LEU  39           H        LEU  39   6.616   5.709  -5.362
  262    HA   LEU  39           HA       LEU  39   7.149   3.402  -7.011
  263   1HB   LEU  39          1HB       LEU  39   9.289   4.194  -5.713
  264   2HB   LEU  39          2HB       LEU  39   8.498   3.445  -4.342
  265    HG   LEU  39           HG       LEU  39   8.458   1.293  -5.459
  266   1HD1  LEU  39          1HD1      LEU  39   8.324   1.223  -7.676
  267   2HD1  LEU  39          2HD1      LEU  39   8.907   2.897  -7.835
  268   3HD1  LEU  39          3HD1      LEU  39  10.072   1.557  -7.719
  269   1HD2  LEU  39          1HD2      LEU  39  10.478   1.987  -4.193
  270   2HD2  LEU  39          2HD2      LEU  39  10.814   0.799  -5.475
  271   3HD2  LEU  39          3HD2      LEU  39  11.217   2.514  -5.724
  272    H    THR  40           H        THR  40   6.352   1.370  -5.893
  273    HA   THR  40           HA       THR  40   4.434   1.957  -3.762
  274    HB   THR  40           HB       THR  40   3.809   0.685  -6.478
  275    HG1  THR  40           1HG      THR  40   2.740   2.663  -6.707
  276   1HG2  THR  40          1HG2      THR  40   2.621  -0.298  -4.330
  277   2HG2  THR  40          2HG2      THR  40   1.814   1.286  -4.261
  278   3HG2  THR  40          3HG2      THR  40   1.606   0.242  -5.687
  279    H    LEU  41           H        LEU  41   4.953   0.674  -2.116
  280    HA   LEU  41           HA       LEU  41   5.297  -2.141  -2.660
  281   1HB   LEU  41          1HB       LEU  41   7.438  -1.008  -0.961
  282   2HB   LEU  41          2HB       LEU  41   7.446  -2.411  -2.012
  283    HG   LEU  41           HG       LEU  41   7.379   0.358  -3.191
  284   1HD1  LEU  41          1HD1      LEU  41   9.755  -1.048  -1.984
  285   2HD1  LEU  41          2HD1      LEU  41   9.936   0.104  -3.329
  286   3HD1  LEU  41          3HD1      LEU  41   9.223   0.638  -1.788
  287   1HD2  LEU  41          1HD2      LEU  41   7.679  -0.677  -5.139
  288   2HD2  LEU  41          2HD2      LEU  41   9.001  -1.679  -4.496
  289   3HD2  LEU  41          3HD2      LEU  41   7.310  -2.193  -4.282
  290    H    CYS  42           H        CYS  42   6.005  -3.058  -0.181
  291    HA   CYS  42           HA       CYS  42   3.834  -1.969   1.446
  292   1HB   CYS  42          1HB       CYS  42   5.079  -4.643   1.961
  293   2HB   CYS  42          2HB       CYS  42   3.466  -4.070   2.337
  294    H    SER  43           H        SER  43   4.505  -0.719   3.154
  295    HA   SER  43           HA       SER  43   6.695  -1.593   4.729
  296   1HB   SER  43          1HB       SER  43   6.955   0.849   2.954
  297   2HB   SER  43          2HB       SER  43   7.803   0.786   4.485
  298    HG   SER  43           HG       SER  43   8.367  -1.549   3.436
  299    H    TYR  44           H        TYR  44   5.898  -1.289   6.774
  300    HA   TYR  44           HA       TYR  44   4.145   1.037   7.185
  301   1HB   TYR  44          1HB       TYR  44   4.424  -1.772   8.404
  302   2HB   TYR  44          2HB       TYR  44   3.458  -0.539   9.189
  303    HD1  TYR  44           1HD      TYR  44   1.184  -0.817   8.882
  304    HD2  TYR  44           2HD      TYR  44   3.825  -1.804   5.665
  305    HE1  TYR  44           1HE      TYR  44  -0.806  -1.466   7.439
  306    HE2  TYR  44           2HE      TYR  44   1.826  -2.449   4.232
  307    HH   TYR  44           HH       TYR  44  -1.453  -1.869   5.348
  308    H    GLY  45           H        GLY  45   4.093   1.463   9.784
  309   1HA   GLY  45          1HA       GLY  45   6.748   2.396  10.384
  310   2HA   GLY  45          2HA       GLY  45   5.285   2.642  11.317
  311    H    GLU  46           H        GLU  46   7.084  -0.325  10.214
  312    HA   GLU  46           HA       GLU  46   7.804  -2.069  11.287
  313   1HB   GLU  46          1HB       GLU  46   8.559   0.170  12.954
  314   2HB   GLU  46          2HB       GLU  46   8.183  -1.191  13.991
  315   1HG   GLU  46          1HG       GLU  46  10.215  -1.093  11.724
  316   2HG   GLU  46          2HG       GLU  46  10.527  -1.367  13.426
  317    H    GLY  47           H        GLY  47   4.850  -0.915  11.644
  318   1HA   GLY  47          1HA       GLY  47   3.882  -3.210  13.064
  319   2HA   GLY  47          2HA       GLY  47   3.704  -1.730  13.987
  320    H    GLY  48           H        GLY  48   2.034  -0.310  13.514
  321   1HA   GLY  48          1HA       GLY  48   0.650  -0.627  10.940
  322   2HA   GLY  48          2HA       GLY  48  -0.255  -0.841  12.425
  323    H    ASN  49           H        ASN  49   2.321   1.483  11.309
  324    HA   ASN  49           HA       ASN  49   0.523   3.595  12.209
  325   1HB   ASN  49          1HB       ASN  49   2.969   3.117  13.270
  326   2HB   ASN  49          2HB       ASN  49   3.495   4.060  11.890
  327   1HD2  ASN  49          1HD2      ASN  49   3.872   4.887  14.491
  328   2HD2  ASN  49          2HD2      ASN  49   2.926   6.299  14.822
  329    H    GLY  50           H        GLY  50  -0.448   3.724  10.035
  330   1HA   GLY  50          1HA       GLY  50  -0.586   4.318   7.866
  331   2HA   GLY  50          2HA       GLY  50   0.544   5.582   8.309
  332    H    PHE  51           H        PHE  51   2.529   5.609   7.323
  333    HA   PHE  51           HA       PHE  51   3.523   3.067   6.274
  334   1HB   PHE  51          1HB       PHE  51   2.287   4.965   4.709
  335   2HB   PHE  51          2HB       PHE  51   3.898   5.654   4.741
  336    HD1  PHE  51           1HD      PHE  51   5.074   5.200   2.824
  337    HD2  PHE  51           2HD      PHE  51   2.540   2.184   4.400
  338    HE1  PHE  51           1HE      PHE  51   5.777   3.648   0.981
  339    HE2  PHE  51           2HE      PHE  51   3.241   0.631   2.557
  340    HZ   PHE  51           HZ       PHE  51   4.851   1.381   0.869
  341    H    GLN  52           H        GLN  52   5.896   3.166   5.733
  342    HA   GLN  52           HA       GLN  52   7.207   5.269   7.263
  343   1HB   GLN  52          1HB       GLN  52   7.072   3.065   8.532
  344   2HB   GLN  52          2HB       GLN  52   8.060   2.342   7.277
  345   1HG   GLN  52          1HG       GLN  52   9.502   3.037   9.134
  346   2HG   GLN  52          2HG       GLN  52   9.862   4.021   7.729
  347   1HE2  GLN  52          1HE2      GLN  52  10.191   6.045   8.188
  348   2HE2  GLN  52          2HE2      GLN  52   9.395   7.000   9.395
  349    H    CYS  53           H        CYS  53   7.160   6.015   4.841
  350    HA   CYS  53           HA       CYS  53   8.527   4.771   2.856
  351   1HB   CYS  53          1HB       CYS  53   7.869   7.576   3.517
  352   2HB   CYS  53          2HB       CYS  53   9.185   7.365   2.381
  353    HA   PRO  54           HA       PRO  54  12.640   4.787   4.328
  354   1HB   PRO  54          1HB       PRO  54  13.939   4.039   2.043
  355   2HB   PRO  54          2HB       PRO  54  13.154   2.898   3.116
  356   1HG   PRO  54          1HG       PRO  54  12.251   3.882   0.479
  357   2HG   PRO  54          2HG       PRO  54  11.726   2.460   1.360
  358   1HD   PRO  54          1HD       PRO  54  10.312   4.943   1.108
  359   2HD   PRO  54          2HD       PRO  54   9.842   3.564   2.081
  360    H    THR  55           H        THR  55  14.973   5.558   3.594
  361    HA   THR  55           HA       THR  55  14.758   8.350   3.521
  362    HB   THR  55           HB       THR  55  16.656   6.770   4.378
  363    HG1  THR  55           1HG      THR  55  17.484   8.819   4.414
  364   1HG2  THR  55          1HG2      THR  55  17.703   7.251   1.555
  365   2HG2  THR  55          2HG2      THR  55  18.419   6.242   2.835
  366   3HG2  THR  55          3HG2      THR  55  16.938   5.708   2.005
  367    H    GLY  56           H        GLY  56  14.693   9.860   1.944
  368   1HA   GLY  56          1HA       GLY  56  14.901  10.732  -0.154
  369   2HA   GLY  56          2HA       GLY  56  15.438   9.179  -0.765
  370    H    TYR  57           H        TYR  57  12.658   8.701   1.152
  371    HA   TYR  57           HA       TYR  57  10.881   9.043  -1.162
  372   1HB   TYR  57          1HB       TYR  57  11.486   6.678   0.690
  373   2HB   TYR  57          2HB       TYR  57   9.907   6.789  -0.063
  374    HD1  TYR  57           1HD      TYR  57  10.002   7.230  -2.719
  375    HD2  TYR  57           2HD      TYR  57  13.117   5.437  -0.398
  376    HE1  TYR  57           1HE      TYR  57  10.926   6.115  -4.808
  377    HE2  TYR  57           2HE      TYR  57  14.031   4.328  -2.495
  378    HH   TYR  57           HH       TYR  57  13.404   5.274  -5.452
  379    H    ARG  58           H        ARG  58   8.726   9.596  -0.672
  380    HA   ARG  58           HA       ARG  58   8.079   9.764   2.133
  381   1HB   ARG  58          1HB       ARG  58   8.928  12.034   0.686
  382   2HB   ARG  58          2HB       ARG  58   7.181  12.170   0.679
  383   1HG   ARG  58          1HG       ARG  58   7.110  12.696   2.894
  384   2HG   ARG  58          2HG       ARG  58   8.163  11.363   3.326
  385   1HD   ARG  58          1HD       ARG  58   9.749  12.936   3.778
  386   2HD   ARG  58          2HD       ARG  58   9.919  13.122   2.044
  387    HE   ARG  58           HE       ARG  58   7.737  14.737   2.696
  388   1HH1  ARG  58          1HH1      ARG  58  11.119  14.564   3.735
  389   2HH1  ARG  58          2HH1      ARG  58  11.226  16.256   4.092
  390   1HH2  ARG  58          1HH2      ARG  58   9.308  17.650   3.749
  391    H    GLN  59           H        GLN  59   6.012   8.968   2.424
  392    HA   GLN  59           HA       GLN  59   4.523   7.823   0.597
  393   1HB   GLN  59          1HB       GLN  59   4.151   8.645   3.262
  394   2HB   GLN  59          2HB       GLN  59   2.763   9.308   2.423
  395   1HG   GLN  59          1HG       GLN  59   3.524   6.466   1.785
  396   2HG   GLN  59          2HG       GLN  59   2.811   6.769   3.356
  397   1HE2  GLN  59          1HE2      GLN  59   0.873   8.327   3.267
  398   2HE2  GLN  59          2HE2      GLN  59  -0.328   7.994   2.065
  399    H    CYS  60           H        CYS  60   2.868   8.310  -0.919
  400    HA   CYS  60           HA       CYS  60   3.035  10.958  -1.974
  401   1HB   CYS  60          1HB       CYS  60   2.460   8.409  -2.987
  402   2HB   CYS  60          2HB       CYS  60   0.963   9.305  -3.148