*HEADER   SAPOSIN FOLD                            17-APR-97   1NKL    
*TITLE    NK-LYSIN FROM PIG, NMR, 20 STRUCTURES                       
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: NK-LYSIN;                                        
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 OTHER_DETAILS: ACTIVE BY MEMBRANE-BINDING                  
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SUS SCROFA;                           
*SOURCE  3 ORGANISM_COMMON: PIG;                                      
*SOURCE  4 ORGAN: INTESTINE                                           
*KEYWDS   SAPOSIN FOLD, ANTIBACTERIAL PEPTIDE, TUMOUROLYTIC PEPTIDE   
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   G.OTTING,E.LIEPINSH                                         
*REVDAT  1   16-JUN-97 1NKL    0                                      

AUTHOR    E.LIEPINSH,M.ANDERSSON,J.RUYSSCHAERT,G.OTTING                        4
JNRL        TITL   SAPOSIN FOLD REVEALED BY THE NMR STRUCTURE OF               5
JRNL        TILL   NK-LYSIN                                                    6
REMARK   1                                                                    10
REMARK   1 THIS FILE CONTAINS THE CHEMICAL SHIFTS, COUPLING CONSTANTS,        11
REMARK   1 DISTANCE AND DIHEDRAL ANGLE CONSTRAINTS USED IN THE                12
REMARK   1 DETERMINATION OF THE NMR STRUCTURE OF NK-LYSIN. THE DATA           13
REMARK   1 WERE RECORDED AT PH 5.5, 36 DEGREES CENTIGRADE.                    14
REMARK   1                                                                    15
REMARK   1 RECORD CONTENT                                     UNIT            16
REMARK   1 ------ ------------------------------------------- ---------       17
REMARK   1 STEREO STEREO-SPECIFIC RESONANCE ASSIGNMENTS. THE                  18
REMARK   1        PART OF THE ATOM NAME COMMON TO THE STEREO-                 19
REMARK   1        SPECIFICALLY ASSIGNED ATOM PAIRS IS GIVEN,                  20
REMARK   1        E.G. HB FOR HB2 AND HB3.                                    21
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED ATOMS       PPM             22
REMARK   1 JCOUPL VICINAL SCALAR COUPLING CONSTANTS           HERTZ           23
REMARK   1        DETERMINED FOR 1H-1H COUPLINGS                              24
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS       25
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS                  26
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES         27
REMARK   1        AN ALLOWED INTERVAL                                         28
REMARK   2                                                                    29
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE           30
REMARK   2 MASTER RECORD:                                                     31
REMARK   2                                                                    32
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                                   33
REMARK   2 ------ -----------------------------------------------------       34
REMARK   2 STEREO RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, ATOM NAME,         35
REMARK   2        ATOM NAME                                                   36
REMARK   2        ('STEREO',2X,A4,I4,3(1X,A3))                                37
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL           38
REMARK   2        SHIFT, ATOM NAME, CHEMICAL SHIFT, ATOM NAME, CHEMICAL       39
REMARK   2        SHIFT, ATOM NAME, CHEMICAL SHIFT                            40
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,1X,F6.2,3X),A4,1X,F6.2)          41
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM         42
REMARK   2        NAME, J-COUPLING CONSTANT, UNCERTAINTY OF J-COUPLING        43
REMARK   2        CONSTANT, FIRST AND SECOND ATOM NAME, J-COUPLING            44
REMARK   2        CONSTANT, UNCERTAINTY OF J-COUPLING CONSTANT                45
REMARK   2        ('JCOUPL',2X,A4,I4,2X,2(A4,1X,A4,2F6.2,3X))                 46
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM        47
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           48
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM          49
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           50
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                      51
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))         52
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND         53
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND              54
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                        55
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,         56
REMARK   2        NUMBER OF STEREO RECORDS, NUMBER OF SHIFTS RECORDS,         57
REMARK   2        NUMBER OF JCOUPL RECORDS, NUMBER OF NOEUPP RECORDS,         58
REMARK   2        NUMBER OF ANGLE RECORDS                                     59
REMARK   2        ('MASTER',4X,8I5)                                           60
REMARK   3                                                                    61
REMARK   3 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE           62
REMARK   3 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                      63
REMARK   3 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)          64
REMARK   3 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL           65
REMARK   3 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR           66
REMARK   3 WHICH NO INDIVIDUAL ASSIGNMENTS HAD BEEN OBTAINED.                 67
REMARK   4                                                                    68
REMARK   4 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE               69
REMARK   4 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN               70
REMARK   4 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...               71
REMARK   4 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF          72
REMARK   4 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS        73
REMARK   4 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE            74
REMARK   4 HYDROGEN  ATOMS ARE ATTACHED. QQG AND QQD DENOTE THE PSEUDO-       75
REMARK   4 ATOMS FOR THE 6 HYDROGEN ATOMS OF THE ISOPROPYL METHYL             76
REMARK   4 GROUPS OF VAL AND LEU, RESPECTIVELY. QQH DENOTES THE               77
REMARK   4 PSEUDOATOM FOR THE 4 HYDROGEN ATOMS 1HH1, 2HH1, 1HH2 AND           78
REMARK   4 2HH2 OF ARG.                                                       79
REMARK   4 THE DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS OF           80
REMARK   4 TYR AND PHE ARE NAMED QD and QE, RESPECTIVELY, IF THEY ARE         81
REMARK   4 PAIRWISE DEGENERATE, E.G. BECAUSE OF RING ROTATION.                82
STEREO  TYR    2 HB                                                           83
STEREO  PHE    3 HB                                                           84
STEREO  CYS    4 HB                                                           85
STEREO  SER    6 HB                                                           86
STEREO  CYS    7 HB                                                           87
STEREO  ARG    8 HB  HG                                                       88
STEREO  LYS    9 HB  HG                                                       89
STEREO  ILE   10 HG1                                                          90
STEREO  ILE   11 HG1                                                          91
STEREO  GLN   12 HB  HG  HE2                                                  92
STEREO  LEU   14 HB                                                           93
STEREO  GLU   15 HB                                                           94
STEREO  ASP   16 HB                                                           95
STEREO  VAL   18 QG                                                           96
STEREO  GLY   19 HA                                                           97
STEREO  PRO   20 HG  HD                                                       98
STEREO  GLN   21 HB  HE2                                                      99
STEREO  PRO   22 HD                                                          100
STEREO  ASN   23 HB  HD2                                                     101
STEREO  GLU   24 HB                                                          102
STEREO  ASP   25 HB                                                          103
STEREO  VAL   27 QG                                                          104
STEREO  GLN   29 HE2                                                         105
STEREO  SER   32 HB                                                          106
STEREO  GLN   33 HB  HE2                                                     107
STEREO  VAL   34 QG                                                          108
STEREO  CYS   35 HB                                                          109
STEREO  ASP   36 HB                                                          110
STEREO  LYS   37 HB                                                          111
STEREO  LEU   38 HB  QD                                                      112
STEREO  LYS   39 HB                                                          113
STEREO  LEU   41 HB                                                          114
STEREO  ARG   42 HB                                                          115
STEREO  GLY   43 HA                                                          116
STEREO  LEU   44 HB                                                          117
STEREO  CYS   45 HB                                                          118
STEREO  LYS   46 HB  HG                                                      119
STEREO  LYS   47 HB  HG                                                      120
STEREO  ILE   48 HG1                                                         121
STEREO  MET   49 HB  HG                                                      122
STEREO  ARG   50 HB                                                          123
STEREO  SER   51 HB                                                          124
STEREO  PHE   52 HB                                                          125
STEREO  LEU   53 HB                                                          126
STEREO  ARG   54 HB                                                          127
STEREO  ARG   55 HB  HG                                                      128
STEREO  SER   57 HB                                                          129
STEREO  TRP   58 HB                                                          130
STEREO  ASP   59 HB                                                          131
STEREO  ILE   60 HG1                                                         132
STEREO  LEU   61 HB  QD                                                      133
STEREO  LYS   64 HB  HG                                                      134
STEREO  LYS   65 HB                                                          135
STEREO  PRO   66 HB  HG  HD                                                  136
STEREO  GLN   67 HB  HE2                                                     137
STEREO  ILE   69 HG1                                                         138
STEREO  CYS   70 HB                                                          139
STEREO  VAL   71 QG                                                          140
STEREO  ASP   72 HB                                                          141
STEREO  ILE   73 HG1                                                         142
STEREO  LYS   74 HB  HG                                                      143
STEREO  ILE   75 HG1                                                         144
STEREO  CYS   76 HB                                                          145
SHIFTS  GLY    1   QA    3.44                                                146
SHIFTS  TYR    2   HN    8.80    HA    4.32   2HB    2.60   1HB    3.13      147
SHIFTS  TYR    2   QE    6.60    QG    6.60                                  148
SHIFTS  PHE    3   HN    8.74    HA    4.19   2HB    3.13   1HB    3.15      149
SHIFTS  PHE    3   HZ    7.54    QG    7.40    QE    7.50                    150
SHIFTS  CYS    4   HN    8.36    HA    4.31   2HB    3.03   1HB    3.50      151
SHIFTS  GLU    5   HN    8.46    HA    3.91    QB    1.99    QG    2.30      152
SHIFTS  SER    6   HN    8.12    HA    4.00   2HB    3.57   1HB    3.72      153
SHIFTS  CYS    7   HN    8.48    HA    3.76   1HB    3.08   2HB    3.62      154
SHIFTS  ARG    8   HN    8.19    HA    3.56   2HB    1.86   1HB    1.91      155
SHIFTS  ARG    8  2HG    1.30   1HG    1.84   1HD    3.21   2HD    3.28      156
SHIFTS  ARG    8   HE    6.80                                                157
SHIFTS  LYS    9   HN    7.55    HA    3.99   1HB    1.79   2HB    1.91      158
SHIFTS  LYS    9  1HG    1.45   2HG    1.64    QD    1.71    QE    2.95      159
SHIFTS  ILE   10   HN    8.18    HA    3.43    HB    1.80   1HG1   1.92      160
SHIFTS  ILE   10  2HG1   2.00    QG2   0.79    QD1   0.71                    161
SHIFTS  ILE   11   HN    8.62    HA    3.77    HB    2.04   1HG1   1.41      162
SHIFTS  ILE   11  2HG1   1.93    QG2   0.91    QD1   0.69                    163
SHIFTS  GLN   12   HN    8.58    HA    3.86   2HB    2.27   1HB    2.16      164
SHIFTS  GLN   12  2HG    2.33   1HG    2.37   2HE2   6.82   1HE2   7.78      165
SHIFTS  LYS   13   HN    7.64    HA    4.16    QB    1.93   1HG    1.45      166
SHIFTS  LYS   13  2HG    1.71    QD    1.81    QE    2.90                    167
SHIFTS  LEU   14   HN    7.89    HA    4.09   1HB    1.40   2HB    2.15      168
SHIFTS  LEU   14   HG    1.48    QD1   0.82    QD2   0.90                    169
SHIFTS  GLU   15   HN    8.60    HA    3.89   2HB    2.06   1HB    2.17      170
SHIFTS  GLU   15   QG    2.70                                                171
SHIFTS  ASP   16   HN    8.65    HA    4.35   2HB    2.71   1HB    2.97      172
SHIFTS  MET   17   HN    7.91    HA    4.15    QB    2.27   1HG    2.61      173
SHIFTS  MET   17  2HG    2.84    QE    2.08                                  174
SHIFTS  VAL   18   HN    7.67    HA    3.99    HB    2.21    QG2   0.99      175
SHIFTS  VAL   18   QG1   1.15                                                176
SHIFTS  GLY   19   HN    7.56   1HA    3.91   2HA    4.25                    177
SHIFTS  PRO   20   HA    4.42    QB    2.27   1HG    1.98   2HG    2.05      178
SHIFTS  PRO   20  2HD    3.51   1HD    3.70                                  179
SHIFTS  GLN   21   HN    8.69    HA    4.55   2HB    1.92   1HB    2.10      180
SHIFTS  GLN   21  2HG    2.48   1HG    2.29   2HE2   6.74   1HE2   7.43      181
SHIFTS  PRO   22   HA    4.42    QB    2.00    QG    1.77   1HD    3.48      182
SHIFTS  PRO   22  2HD    3.60                                                183
SHIFTS  ASN   23   HN    7.59    HA    4.86   2HB    2.93   1HB    3.12      184
SHIFTS  ASN   23  2HD2   7.00   1HD2   7.70                                  185
SHIFTS  GLU   24   HN    9.08    HA    3.87   2HB    2.15   1HB    2.35      186
SHIFTS  GLU   24   QG    2.36                                                187
SHIFTS  ASP   25   HN    8.40    HA    4.51   2HB    2.72   1HB    2.79      188
SHIFTS  THR   26   HN    8.33    HA    4.05    HB    4.34    QG2   1.41      189
SHIFTS  THR   26   HG1   5.70                                                190
SHIFTS  VAL   27   HN    8.12    HA    3.68    HB    2.26    QG1   1.00      191
SHIFTS  VAL   27   QG2   1.05                                                192
SHIFTS  THR   28   HN    8.34    HA    3.85    HB    4.38    QG2   1.29      193
SHIFTS  GLN   29   HN    8.17    HA    4.11    QB    2.14   1HG    2.39      194
SHIFTS  GLN   29  2HG    2.48   2HE2   6.77   1HE2   7.45                    195
SHIFTS  ALA   30   HN    8.20    HA    4.12    QB    1.47                    196
SHIFTS  ALA   31   HN    8.84    HA    4.00    QB    1.51                    197
SHIFTS  SER   32   HN    7.47    HA    4.35   1HB    4.07   2HB    4.11      198
SHIFTS  GLN   33   HN    7.47    HA    4.57   1HB    1.98   2HB    2.10      199
SHIFTS  GLN   33  1HG    2.40   2HG    2.47   1HE2   7.25   2HE2   6.77      200
SHIFTS  VAL   34   HN    8.28    HA    3.70    HB    2.28    QG2   0.90      201
SHIFTS  VAL   34   QG1   1.06                                                202
SHIFTS  CYS   35   HN    7.73    HA    4.54   1HB    2.84   2HB    3.28      203
SHIFTS  ASP   36   HN    7.68    HA    4.54   2HB    2.67   1HB    2.81      204
SHIFTS  LYS   37   HN    7.64    HA    4.38   2HB    1.95   1HB    2.06      205
SHIFTS  LYS   37   QG    1.54    QD    1.66   1HE    2.93   2HE    3.04      206
SHIFTS  LEU   38   HN    7.25    HA    4.53   2HB    1.60   1HB    1.68      207
SHIFTS  LEU   38   HG    1.88    QD2   0.81    QD1   0.89                    208
SHIFTS  LYS   39   HN    8.42    HA    4.19   1HB    1.44   2HB    1.93      209
SHIFTS  LYS   39  1HG    1.52   2HG    1.73    QD    1.78    QE    3.05      210
SHIFTS  ILE   40   HN    8.05    HA    4.19    HB    2.01   1HG1   1.32      211
SHIFTS  ILE   40  2HG1   1.52    QG2   1.01    QD1   0.93                    212
SHIFTS  LEU   41   HN    7.91    HA    4.60   1HB    1.70   2HB    1.76      213
SHIFTS  LEU   41   HG    1.70    QQD   0.95                                  214
SHIFTS  ARG   42   HN    7.52    HA    3.85   1HB    1.79   2HB    2.03      215
SHIFTS  ARG   42  1HG    1.47   2HG    1.53    QD    3.26                    216
SHIFTS  GLY   43   HN    8.61   1HA    3.73   2HA    3.91                    217
SHIFTS  LEU   44   HN    8.17    HA    4.07   2HB    1.57   1HB    1.64      218
SHIFTS  LEU   44   HG    1.46    QD1   0.79    QD2   0.86                    219
SHIFTS  CYS   45   HN    8.57    HA    3.94   1HB    2.64   2HB    3.57      220
SHIFTS  LYS   46   HN    8.50    HA    3.88   2HB    1.83   1HB    1.97      221
SHIFTS  LYS   46  1HG    1.43   2HG    1.69   2HD    1.69   1HD    1.66      222
SHIFTS  LYS   46  1HE    2.81   2HE    2.89                                  223
SHIFTS  LYS   47   HN    7.62    HA    4.03   2HB    1.91   1HB    1.98      224
SHIFTS  LYS   47  2HG    1.37   1HG    1.55    QD    1.71    QE    2.89      225
SHIFTS  ILE   48   HN    8.50    HA    3.91    HB    2.04   2HG1   1.07      226
SHIFTS  ILE   48  1HG1   1.99    QG2   0.95    QD1   0.73                    227
SHIFTS  MET   49   HN    8.76    HA    4.36   1HB    2.21   2HB    1.96      228
SHIFTS  MET   49  2HG    2.89   1HG    3.02    QE    1.93                    229
SHIFTS  ARG   50   HN    7.99    HA    4.14   2HB    1.93   1HB    1.99      230
SHIFTS  ARG   50   QG    1.72    QD    3.21                                  231
SHIFTS  SER   51   HN    7.45    HA    4.26   2HB    2.76   1HB    3.24      232
SHIFTS  PHE   52   HN    8.15    HA    5.38   1HB    2.86   2HB    3.64      233
SHIFTS  PHE   52   HZ    7.37    QG    7.40    QE    7.40                    234
SHIFTS  LEU   53   HN    7.63    HA    4.02   2HB    1.77   1HB    2.22      235
SHIFTS  LEU   53   HG    1.56    QD1   0.90    QD2   0.95                    236
SHIFTS  ARG   54   HN    8.72    HA    4.09   1HB    1.86   2HB    1.90      237
SHIFTS  ARG   54  1HG    1.64   2HG    1.74    QD    3.12    HE    7.12      238
SHIFTS  ARG   55   HN    7.84    HA    4.25   2HB    1.96   1HB    2.03      239
SHIFTS  ARG   55  2HG    1.69   1HG    1.73   1HD    3.20   2HD    3.36      240
SHIFTS  ARG   55   HE    7.24                                                241
SHIFTS  ILE   56   HN    8.72    HA    3.49    HB    1.86   1HG1   0.87      242
SHIFTS  ILE   56  2HG1   1.82    QG2   0.80    QD1   0.75                    243
SHIFTS  SER   57   HN    8.85    HA    4.01   2HB    3.90   1HB    4.09      244
SHIFTS  TRP   58   HN    7.97    HA    4.18   1HB    3.29   2HB    3.45      245
SHIFTS  TRP   58   HD1   7.24    HE3   7.14    HE1  10.00    HZ3   6.99      246
SHIFTS  TRP   58   HZ2   7.39    HH2   7.14                                  247
SHIFTS  ASP   59   HN    8.45    HA    4.10   2HB    2.39   1HB    3.16      248
SHIFTS  ILE   60   HN    8.72    HA    3.68    HB    1.97   1HG1   1.16      249
SHIFTS  ILE   60  2HG1   1.95    QG2   0.83    QD1   0.75                    250
SHIFTS  LEU   61   HN    8.34    HA    3.86   1HB    1.44   2HB    1.74      251
SHIFTS  LEU   61   HG    1.73    QD2   0.68    QD1   0.76                    252
SHIFTS  THR   62   HN    7.36    HA    4.22    HB    4.19    QG2   0.52      253
SHIFTS  GLY   63   HN    7.57   1HA    3.79   2HA    4.09                    254
SHIFTS  LYS   64   HN    8.02    HA    4.26   2HB    1.55   1HB    1.39      255
SHIFTS  LYS   64  2HG    1.28   1HG    1.43    QD    1.47    QE    2.90      256
SHIFTS  LYS   65   HN    8.56    HA    4.68   1HB    1.82   2HB    2.23      257
SHIFTS  LYS   65   QG    1.57    QD    1.69    QE    3.03                    258
SHIFTS  PRO   66   HA    4.25   2HB    2.23   1HB    2.15   2HG    1.41      259
SHIFTS  PRO   66  1HG    1.82   1HD    3.73   2HD    3.87                    260
SHIFTS  GLN   67   HN    8.85    HA    3.66   2HB    1.90   1HB    2.07      261
SHIFTS  GLN   67  1HG    2.23   2HG    2.41   2HE2   6.57   1HE2   7.54      262
SHIFTS  ALA   68   HN    7.06    HA    4.02    QB    1.47                    263
SHIFTS  ILE   69   HN    8.03    HA    3.56    HB    1.88   1HG1   0.86      264
SHIFTS  ILE   69  2HG1   1.79    QG2   0.87    QD1   0.59                    265
SHIFTS  CYS   70   HN    8.05    HA    4.03   2HB    2.85   1HB    3.01      266
SHIFTS  VAL   71   HN    7.91    HA    4.21    HB    2.03    QG2   0.77      267
SHIFTS  VAL   71   QG1   0.88                                                268
SHIFTS  ASP   72   HN    8.15    HA    4.42   2HB    2.80   1HB    2.97      269
SHIFTS  ILE   73   HN    7.50    HA    4.09    HB    1.06   2HG1   0.86      270
SHIFTS  ILE   73  1HG1   1.45    QG2   0.55    QD1   0.52                    271
SHIFTS  LYS   74   HN    7.59    HA    3.97   1HB    2.00   2HB    2.12      272
SHIFTS  LYS   74  1HG    1.29   2HG    1.35   1HD    1.67   2HD    1.73      273
SHIFTS  LYS   74   QE    3.06                                                274
SHIFTS  ILE   75   HN    7.58    HA    4.02    HB    1.71   1HG1   1.00      275
SHIFTS  ILE   75  2HG1   1.47    QG2   0.78    QD1   0.76                    276
SHIFTS  CYS   76   HN    7.08    HA    4.77   1HB    2.20   2HB    3.29      277
SHIFTS  LYS   77   HN    8.68    HA    4.28   1HB    1.78   2HB    1.84      278
SHIFTS  LYS   77   QG    1.45    QD    1.69    QE    3.00                    279
SHIFTS  GLU   78   HN    7.90    HA    4.03   1HB    1.90   2HB    2.00      280
SHIFTS  GLU   78   QG    2.13                                                281
JCOUPL  TYR    2   HA  1HB   4.00  3.00    HA  2HB  11.00  3.00              282
JCOUPL  PHE    3   HA  1HB  11.00  3.00    HA  2HB   4.70  3.00              283
JCOUPL  CYS    4   HA  1HB   4.50  3.00    HA  2HB  11.10  3.00              284
JCOUPL  GLU    5   HN   HA   4.40  2.00                                      285
JCOUPL  SER    6   HN   HA   4.10  2.00    HA  2HB   4.40  3.00              286
JCOUPL  SER    6   HA  1HB  10.50  3.00                                      287
JCOUPL  CYS    7   HN   HA   4.40  2.00    HA  2HB  11.00  3.00              288
JCOUPL  CYS    7   HA  1HB   4.00  3.00                                      289
JCOUPL  ARG    8   HN   HA   4.20  2.00                                      290
JCOUPL  LYS    9   HN   HA   4.20  2.00    HA  2HB  10.70  3.00              291
JCOUPL  LYS    9   HA  1HB   4.10  3.00                                      292
JCOUPL  ILE   10   HN   HA   4.60  2.00    HA   HB  10.70  3.00              293
JCOUPL  ILE   11   HN   HA   4.60  2.00    HA   HB  11.70  2.00              294
JCOUPL  GLN   12   HN   HA   3.80  2.00                                      295
JCOUPL  LYS   13   HN   HA   4.20  2.00                                      296
JCOUPL  LEU   14   HN   HA   4.40  2.00    HA  2HB  11.00  3.00              297
JCOUPL  LEU   14   HA  1HB   4.00  3.00                                      298
JCOUPL  GLU   15   HN   HA   3.80  2.00    HA  1HB   4.00  3.00              299
JCOUPL  GLU   15   HA  2HB  11.00  3.00                                      300
JCOUPL  ASP   16   HN   HA   3.40  2.00    HA  1HB  10.50  3.00              301
JCOUPL  ASP   16   HA  2HB   4.00  3.00                                      302
JCOUPL  MET   17   HN   HA   4.80  2.00                                      303
JCOUPL  VAL   18   HN   HA   5.40  2.00    HA   HB   4.40  3.00              304
JCOUPL  GLN   21   HN   HA   7.90  2.00    HA  1HB   4.10  3.00              305
JCOUPL  GLN   21   HA  2HB  10.20  3.00                                      306
JCOUPL  ASN   23   HN   HA   7.80  2.00                                      307
JCOUPL  GLU   24   HN   HA   4.00  2.00    HA  1HB  11.00  3.00              308
JCOUPL  GLU   24   HA  2HB   4.20  3.00                                      309
JCOUPL  ASP   25   HN   HA   4.90  2.00                                      310
JCOUPL  THR   26   HN   HA   4.30  2.00                                      311
JCOUPL  VAL   27   HN   HA   4.00  2.00    HA   HB  10.40  3.00              312
JCOUPL  THR   28   HN   HA   3.80  2.00    HA   HB   8.20  3.00              313
JCOUPL  GLN   29   HN   HA   4.00  2.00                                      314
JCOUPL  ALA   30   HN   HA   4.10  2.00                                      315
JCOUPL  ALA   31   HN   HA   4.00  2.00                                      316
JCOUPL  SER   32   HN   HA   4.70  2.00                                      317
JCOUPL  GLN   33   HN   HA   9.10  2.00    HA  2HB   4.30  3.00              318
JCOUPL  GLN   33   HA  1HB  10.50  3.00                                      319
JCOUPL  VAL   34   HN   HA   4.20  2.00    HA   HB   4.50  2.00              320
JCOUPL  CYS   35   HN   HA   4.30  2.00    HA  2HB   4.80  3.00              321
JCOUPL  CYS   35   HA  1HB  10.80  3.00                                      322
JCOUPL  ASP   36   HN   HA   4.70  2.00    HA  1HB   4.00  3.00              323
JCOUPL  ASP   36   HA  2HB  10.60  3.00                                      324
JCOUPL  LYS   37   HN   HA   8.00  2.00    HA  1HB   3.00  3.00              325
JCOUPL  LYS   37   HA  2HB  10.70  3.00                                      326
JCOUPL  LEU   38   HN   HA   8.50  2.00    HA  1HB  10.50  3.00              327
JCOUPL  LEU   38   HA  2HB   4.20  3.00                                      328
JCOUPL  LYS   39   HA  2HB  11.00  3.00    HA  1HB   3.00  3.00              329
JCOUPL  ILE   40   HN   HA   4.70  2.00                                      330
JCOUPL  LEU   41   HN   HA   9.00  2.00    HA  2HB  10.40  3.00              331
JCOUPL  LEU   41   HA  1HB   4.10  3.00                                      332
JCOUPL  ARG   42   HN   HA   3.60  2.00    HA  2HB   4.40  3.00              333
JCOUPL  ARG   42   HA  1HB  10.50  3.00                                      334
JCOUPL  LEU   44   HN   HA   4.90  2.00    HA  1HB   5.00  3.00              335
JCOUPL  LEU   44   HA  2HB  10.10  3.00                                      336
JCOUPL  CYS   45   HN   HA   4.00  2.00    HA  2HB  11.20  3.00              337
JCOUPL  CYS   45   HA  1HB   4.60  3.00                                      338
JCOUPL  LYS   46   HN   HA   4.60  2.00    HA  1HB  11.40  3.00              339
JCOUPL  LYS   46   HA  2HB   3.30  3.00                                      340
JCOUPL  LYS   47   HN   HA   3.90  2.00                                      341
JCOUPL  ILE   48   HN   HA   5.60  2.00    HA   HB  10.90  3.00              342
JCOUPL  MET   49   HN   HA   4.00  2.00    HA  1HB  10.80  3.00              343
JCOUPL  MET   49   HA  2HB   4.60  3.00                                      344
JCOUPL  ARG   50   HN   HA   4.60  3.00                                      345
JCOUPL  PHE   52   HN   HA   9.30  2.00    HA  2HB   4.10  3.00              346
JCOUPL  PHE   52   HA  1HB  10.30  3.00                                      347
JCOUPL  LEU   53   HN   HA   3.80  2.00    HA  1HB   4.20  3.00              348
JCOUPL  LEU   53   HA  2HB  10.80  3.00                                      349
JCOUPL  ARG   54   HN   HA   4.60  2.00    HA  2HB  10.20  3.00              350
JCOUPL  ARG   54   HA  1HB   4.50  3.00                                      351
JCOUPL  ARG   55   HN   HA   4.50  2.00    HA  1HB   4.50  3.00              352
JCOUPL  ARG   55   HA  2HB  10.50  3.00                                      353
JCOUPL  ILE   56   HN   HA   5.60  2.00    HA   HB  10.70  3.00              354
JCOUPL  SER   57   HN   HA   4.60  2.00                                      355
JCOUPL  TRP   58   HN   HA   5.50  3.00                                      356
JCOUPL  ASP   59   HN   HA   4.60  2.00    HA  2HB   4.10  3.00              357
JCOUPL  ASP   59   HA  1HB  10.90  3.00                                      358
JCOUPL  ILE   60   HN   HA   5.50  2.00    HA   HB  10.30  3.00              359
JCOUPL  LEU   61   HN   HA   3.90  2.00    HA  2HB  11.10  3.00              360
JCOUPL  LEU   61   HA  1HB   3.80  3.00                                      361
JCOUPL  THR   62   HN   HA   8.20  2.00    HA   HB   2.60  2.00              362
JCOUPL  LYS   64   HA  1HB   3.90  3.00    HA  2HB  10.50  3.00              363
JCOUPL  LYS   65   HA  2HB   3.90  3.00    HA  1HB  10.40  3.00              364
JCOUPL  GLN   67   HN   HA   3.90  2.00    HA  1HB   4.60  3.00              365
JCOUPL  GLN   67   HA  2HB  10.60  3.00                                      366
JCOUPL  ALA   68   HN   HA   4.90  2.00                                      367
JCOUPL  ILE   69   HN   HA   4.00  2.00    HA   HB  10.50  3.00              368
JCOUPL  CYS   70   HN   HA   3.80  2.00    HA  1HB  11.10  3.00              369
JCOUPL  CYS   70   HA  2HB   4.20  3.00                                      370
JCOUPL  VAL   71   HA   HB  11.10  3.00                                      371
JCOUPL  ASP   72   HN   HA   3.30  2.00                                      372
JCOUPL  ILE   73   HN   HA   8.50  2.00    HA   HB   3.40  2.00              373
JCOUPL  LYS   74   HN   HA   8.20  2.00    HA  2HB  10.30  3.00              374
JCOUPL  LYS   74   HA  1HB   4.50  3.00                                      375
JCOUPL  ILE   75   HN   HA   8.80  2.00    HA   HB  10.60  2.00              376
JCOUPL  CYS   76   HN   HA   8.80  2.00    HA  2HB   3.10  4.00              377
JCOUPL  CYS   76   HA  1HB  11.50  4.00                                      378
NOEUPP  GLY    1  QA  PHE    3  QD   7.50      QA  PHE    3  QE   7.50       379
NOEUPP  TYR    2  HA  GLU    5  HN   4.20      HA  GLU    5  QB   5.30       380
NOEUPP  TYR    2  HA  SER    6  HN   4.50      QD  PHE    3  HA   6.50       381
NOEUPP  TYR    2  QD  PHE    3  QD   8.50      QD  PHE    3  QE   8.50       382
NOEUPP  TYR    2  QD  LEU   41  QQD  8.90      QE  ILE   40  QG2  7.50       383
NOEUPP  TYR    2  QE  LEU   44  QB   7.38      QE  LEU   44  QD1  7.50       384
NOEUPP  TYR    2  QE  LEU   44  QD2  7.50                                    385
NOEUPP  PHE    3  HA  SER    6  HN   4.50      HA  SER    6  QB   4.48       386
NOEUPP  PHE    3  HA  CYS    7  HN   4.50      HA  LEU   44  QQD  7.07       387
NOEUPP  PHE    3  QB  ILE   75  QG2  5.88      QD  LEU   44  QD1  5.50       388
NOEUPP  PHE    3  QD  LEU   44  QD2  5.50      QD  ILE   75  QG2  7.50       389
NOEUPP  PHE    3  QD  ILE   75  QD1  7.50      QE  LEU   44  QB   7.38       390
NOEUPP  PHE    3  QE  LEU   44  QD1  5.50      QE  LEU   44  QD2  5.50       391
NOEUPP  PHE    3  QE  ILE   75  HA   6.50      QE  ILE   75  QG2  7.50       392
NOEUPP  PHE    3  QE  ILE   75  QD1  7.50                                    393
NOEUPP  CYS    4  HN  CYS    4 1HB   3.40      HN  CYS    4 2HB   3.40       394
NOEUPP  CYS    4  HA  CYS    7  HN   4.20      HA  CYS    7 1HB   3.90       395
NOEUPP  CYS    4  HA  CYS    7 2HB   3.70      HA  ARG    8  HN   4.50       396
NOEUPP  CYS    4  HA  ILE   75  QG2  4.30      CB  CYS   76  SG   3.10       397
NOEUPP  CYS    4  QB  GLU    5  HN   4.08      QB  CYS   76  HA   5.18       398
NOEUPP  CYS    4  QB  LYS   77  HN   5.38      SG  CYS   76  CB   3.10       399
NOEUPP  CYS    4  SG  CYS   76  SG   2.10                                    400
NOEUPP  GLU    5  HN  GLU    5  QB   3.70      HN  GLU    5  QG   4.90       401
NOEUPP  GLU    5  HN  SER    6  HN   3.20      HA  ARG    8  HN   3.90       402
NOEUPP  GLU    5  HA  ARG    8  QB   4.88      HA  ARG    8 1HD   4.50       403
NOEUPP  GLU    5  HA  ARG    8 2HD   4.50      QB  SER    6  HN   4.40       404
NOEUPP  GLU    5  QG  LYS    9  QE   6.50                                    405
NOEUPP  SER    6  HN  SER    6 1HB   3.60      HN  SER    6 2HB   3.60       406
NOEUPP  SER    6  HN  SER    6  QB   3.39      HN  CYS    7  HN   3.20       407
NOEUPP  SER    6  HA  LEU   41  QQD  6.90     1HB  CYS    7  HN   4.10       408
NOEUPP  SER    6 2HB  CYS    7  HN   4.10      QB  CYS    7  HN   3.76       409
NOEUPP  SER    6  QB  LEU   41  QQD  7.78                                    410
NOEUPP  CYS    7  HN  CYS    7 1HB   3.00      HN  CYS    7 2HB   3.00       411
NOEUPP  CYS    7  HN  CYS    7  QB   2.77      HN  ARG    8  HN   2.80       412
NOEUPP  CYS    7  HN  LEU   44  QQD  7.07      HN  ILE   75  QG2  5.50       413
NOEUPP  CYS    7  HA  CYS    7  QB   2.68      HA  ILE   10  HN   3.90       414
NOEUPP  CYS    7  HA  ILE   10  HB   3.10      HA  ILE   10  QG2  5.40       415
NOEUPP  CYS    7  HA  ILE   10  QD1  5.40      HA  ILE   11  HN   4.50       416
NOEUPP  CYS    7  HA  LEU   41  QQD  6.90      HA  LEU   44  QQD  7.07       417
NOEUPP  CYS    7  HA  ILE   48  QD1  4.90      CB  CYS   70  SG   3.10       418
NOEUPP  CYS    7 1HB  ARG    8  HN   4.50     1HB  ILE   75  QG2  5.50       419
NOEUPP  CYS    7 2HB  ARG    8  HN   4.50     2HB  ILE   75  QG2  5.50       420
NOEUPP  CYS    7  QB  ARG    8  HN   3.80      QB  ILE   10  QD1  6.38       421
NOEUPP  CYS    7  QB  ILE   48  QD1  6.38      QB  ILE   75  QG2  4.77       422
NOEUPP  CYS    7  SG  CYS   70  CB   3.10      SG  CYS   70  SG   2.10       423
NOEUPP  ARG    8  HN  ARG    8  QB   3.55      HN  ARG    8  QG   5.38       424
NOEUPP  ARG    8  HN  LYS    9  HN   2.80      HA  ARG    8  QG   3.77       425
NOEUPP  ARG    8  HA  ILE   11  HN   3.80      HA  ILE   11  HB   3.60       426
NOEUPP  ARG    8  HA  GLN   12  HN   4.50      HA  GLN   12  QG   5.08       427
NOEUPP  ARG    8  QG  GLN   67  HA   5.38      QG  GLN   67  QB   5.85       428
NOEUPP  LYS    9  HN  LYS    9  HA   2.90      HN  LYS    9  QB   3.68       429
NOEUPP  LYS    9  HN  LYS    9  QG   4.28      HN  ILE   10  HN   2.80       430
NOEUPP  LYS    9  HA  LYS    9  QD   5.50      HA  GLN   12  HN   3.80       431
NOEUPP  LYS    9  HA  GLN   12  QB   4.58      HA  LYS   13  HN   4.50       432
NOEUPP  LYS    9  QB  ILE   10  HN   3.68      QG  LYS   13  HN   5.38       433
NOEUPP  LYS    9  QE  LEU   41  QQD  7.90                                    434
NOEUPP  ILE   10  HN  ILE   10  HB   3.00      HN  ILE   10  QD1  5.50       435
NOEUPP  ILE   10  HN  ILE   11  HN   2.90      HA  ILE   10  QG1  3.46       436
NOEUPP  ILE   10  HA  ILE   10  QD1  4.40      HA  LYS   13  HN   4.10       437
NOEUPP  ILE   10  HA  LEU   14  HN   4.50      HA  LEU   38  QQD  6.57       438
NOEUPP  ILE   10  HA  LEU   41  QQD  6.90      HB  ILE   11  HN   2.80       439
NOEUPP  ILE   10  QG2 ILE   11  HN   5.50      QG2 CYS   45  HN   5.50       440
NOEUPP  ILE   10  QG2 CYS   45  HA   5.00      QG2 CYS   45 1HB   5.50       441
NOEUPP  ILE   10  QG2 CYS   45 2HB   5.50      QG2 MET   49  QE   5.60       442
NOEUPP  ILE   10  QG1 CYS   45  HA   4.78      QD1 LEU   41  HG   5.50       443
NOEUPP  ILE   10  QD1 LEU   44  HN   5.50      QD1 LEU   44  QB   6.08       444
NOEUPP  ILE   10  QD1 CYS   45  HN   5.50      QD1 CYS   45  HA   4.00       445
NOEUPP  ILE   10  QD1 CYS   45 1HB   5.50      QD1 CYS   45 2HB   5.50       446
NOEUPP  ILE   10  QD1 CYS   45  QB   4.90                                    447
NOEUPP  ILE   11  HN  ILE   11  HB   2.80      HN  ILE   11 1HG1  4.50       448
NOEUPP  ILE   11  HN  ILE   11 2HG1  4.50      HN  ILE   11  QG1  3.68       449
NOEUPP  ILE   11  HN  ILE   11  QD1  5.50      HA  ILE   11  QG1  3.71       450
NOEUPP  ILE   11  HA  ILE   11  QD1  4.00      HA  GLN   12  HN   3.60       451
NOEUPP  ILE   11  HA  LEU   14  HN   3.40      HA  LEU   14  QB   3.78       452
NOEUPP  ILE   11  HA  LEU   14  QQD  7.07      HA  GLU   15  HN   4.50       453
NOEUPP  ILE   11  HB  GLN   12  HN   3.10      QG2 GLN   12  HN   5.50       454
NOEUPP  ILE   11  QG2 GLU   15  QG   6.50      QG2 PRO   66  QD   5.48       455
NOEUPP  ILE   11  QG2 ILE   69  QD1  4.90     1HG1 ILE   69  QD1  5.50       456
NOEUPP  ILE   11 2HG1 ILE   69  QD1  5.50      QG1 GLN   12  HN   5.38       457
NOEUPP  ILE   11  QG1 ASP   59  QB   5.45      QG1 ILE   69  QD1  5.28       458
NOEUPP  ILE   11  QD1 MET   49  QE   6.50      QD1 ILE   56  HA   5.50       459
NOEUPP  ILE   11  QD1 ILE   69  QD1  4.60                                    460
NOEUPP  GLN   12  HN  GLN   12 1HB   4.00      HN  GLN   12 2HB   4.00       461
NOEUPP  GLN   12  HN  GLN   12  QB   3.38      HN  GLN   12 1HG   4.00       462
NOEUPP  GLN   12  HN  GLN   12 2HG   4.00      HN  LYS   13  HN   3.10       463
NOEUPP  GLN   12  HN  PRO   66  QG   5.38      HA  GLN   12 1HE2  4.50       464
NOEUPP  GLN   12  HA  GLN   12 2HE2  4.50      HA  GLU   15  HN   3.60       465
NOEUPP  GLN   12  HA  ASP   16  HN   4.50      QB  LYS   13  HN   3.98       466
NOEUPP  GLN   12  QG  PRO   66  QG   4.75      QE2 ASP   16  HN   5.37       467
NOEUPP  LYS   13  HN  LYS   13  QB   3.60      HN  LEU   14  HN   2.90       468
NOEUPP  LYS   13  HN  LEU   38  QD1  5.50      HN  LEU   38  QD2  5.50       469
NOEUPP  LYS   13  HA  LYS   13 1HG   3.90      HA  LYS   13 2HG   3.90       470
NOEUPP  LYS   13  HA  LYS   13  QD   5.20      HA  LYS   13  QE   5.50       471
NOEUPP  LYS   13  HA  LEU   14  HN   3.50      HA  ASP   16  HN   3.50       472
NOEUPP  LYS   13  HA  ASP   16 1HB   4.00      HA  ASP   16 2HB   4.00       473
NOEUPP  LYS   13  HA  ASP   16  QB   3.38      HA  MET   17  HN   4.50       474
NOEUPP  LYS   13  QB  LEU   14  HN   4.50      QE  MET   17  QE   6.50       475
NOEUPP  LEU   14  HN  LEU   14 1HB   2.90      HN  LEU   14 2HB   2.90       476
NOEUPP  LEU   14  HN  LEU   14  QD1  5.50      HN  LEU   14  QD2  5.50       477
NOEUPP  LEU   14  HN  GLU   15  HN   3.40      HA  LEU   14  QD1  5.50       478
NOEUPP  LEU   14  HA  LEU   14  QD2  5.50      HA  LEU   14  QQD  4.29       479
NOEUPP  LEU   14  HA  MET   17  HN   3.90      HA  MET   17  QB   4.40       480
NOEUPP  LEU   14  HA  MET   17  QE   5.50      HA  VAL   18  HN   4.50       481
NOEUPP  LEU   14 1HB  VAL   34  QG1  7.25     1HB  VAL   34  QG2  7.25       482
NOEUPP  LEU   14 2HB  VAL   34  QG1  7.25     2HB  VAL   34  QG2  7.25       483
NOEUPP  LEU   14  QB  VAL   34  QQG  6.18      QD1 VAL   34  QG1  7.52       484
NOEUPP  LEU   14  QD1 VAL   34  QG2  7.52      QD2 VAL   34  QG1  7.52       485
NOEUPP  LEU   14  QD2 VAL   34  QG2  7.52      QQD GLU   15  HN   7.07       486
NOEUPP  LEU   14  QQD ALA   31  HA   7.07      QQD VAL   34  HA   6.47       487
NOEUPP  LEU   14  QQD VAL   34  HB   7.07      QQD VAL   34  QQG  5.70       488
NOEUPP  GLU   15  HN  GLU   15  QB   3.42      HN  GLU   15  QG   4.80       489
NOEUPP  GLU   15  HA  GLU   15  QB   2.70      HA  ASP   16  HN   3.60       490
NOEUPP  GLU   15  HA  VAL   18  HN   3.70      HA  VAL   18  QQG  5.76       491
NOEUPP  GLU   15  HA  GLY   19  HN   4.50      HA  ILE   60  QG2  5.50       492
NOEUPP  GLU   15 1HB  ASP   16  HN   3.70     2HB  ASP   16  HN   3.70       493
NOEUPP  GLU   15  QB  ASP   16  HN   3.30      QB  ILE   60  QD1  5.68       494
NOEUPP  GLU   15  QG  ILE   60  QG1  6.38      QG  ILE   60  QD1  6.50       495
NOEUPP  GLU   15  QG  LYS   65  QE   6.50                                    496
NOEUPP  ASP   16  HN  ASP   16  QB   3.46      HN  MET   17  HN   3.10       497
NOEUPP  ASP   16  HA  ASP   16  QB   2.75      HA  GLY   19  HN   4.40       498
NOEUPP  ASP   16  HA  GLY   19  QA   4.68      QB  MET   17  HN   3.98       499
NOEUPP  MET   17  HN  MET   17  QB   3.90      HN  MET   17 1HG   4.50       500
NOEUPP  MET   17  HN  MET   17 2HG   4.50      HN  MET   17  QG   3.76       501
NOEUPP  MET   17  HN  VAL   18  HN   2.80      HN  GLY   19  HN   4.00       502
NOEUPP  MET   17  HA  MET   17 1HG   3.80      HA  MET   17 2HG   3.80       503
NOEUPP  MET   17  HA  MET   17  QG   3.36      QB  VAL   18  HN   4.50       504
NOEUPP  MET   17  QB  ALA   30  QB   6.10      QE  ALA   30  HA   4.50       505
NOEUPP  MET   17  QE  ALA   30  QB   5.80      QE  VAL   34  HN   5.50       506
NOEUPP  MET   17  QE  VAL   34  HA   5.20      QE  LYS   37  QG   6.50       507
NOEUPP  MET   17  QE  LYS   37  QD   6.50      QE  LYS   37 1HE   5.50       508
NOEUPP  MET   17  QE  LYS   37 2HE   5.50                                    509
NOEUPP  VAL   18  HN  VAL   18  HB   3.10      HN  VAL   18  QG1  4.90       510
NOEUPP  VAL   18  HN  VAL   18  QG2  4.90      HN  VAL   18  QQG  4.14       511
NOEUPP  VAL   18  HN  GLY   19  HN   2.90      HA  VAL   18  HB   3.00       512
NOEUPP  VAL   18  HA  THR   26  QG2  5.30      HB  GLY   19  HN   4.50       513
NOEUPP  VAL   18  QG1 GLY   19  HN   5.50      QG1 PRO   22  HA   5.50       514
NOEUPP  VAL   18  QG1 PRO   22  QG   6.50      QG1 THR   26  QG2  6.50       515
NOEUPP  VAL   18  QG1 ALA   30  QB   5.70      QG2 GLY   19  HN   5.50       516
NOEUPP  VAL   18  QG2 PRO   22  HA   5.50      QG2 PRO   22  QG   6.50       517
NOEUPP  VAL   18  QG2 THR   26  QG2  6.50      QG2 ALA   30  QB   5.70       518
NOEUPP  VAL   18  QQG PRO   22  QD   7.94      QQG THR   26  HB   7.06       519
NOEUPP  VAL   18  QQG THR   26  QG2  6.21      QQG VAL   27  HA   6.46       520
NOEUPP  VAL   18  QQG ALA   30  QB   4.94                                    521
NOEUPP  GLY   19  HN  PRO   20  QD   5.38                                    522
NOEUPP  PRO   20  HA  GLN   21  HN   3.10      QD  GLN   21  HN   5.13       523
NOEUPP  GLN   21  HN  GLN   21  QB   3.59      HN  GLN   21  QG   5.38       524
NOEUPP  GLN   21  HN  PRO   22 1HD   4.50      HN  PRO   22 2HD   4.50       525
NOEUPP  GLN   21  HN  PRO   22  QD   4.31                                    526
NOEUPP  PRO   22  HA  ASN   23  HN   2.90      HA  VAL   27  QQG  7.06       527
NOEUPP  PRO   22  QG  ASN   23  HN   5.50      QG  THR   26  HB   5.50       528
NOEUPP  PRO   22  QG  VAL   27  QQG  7.46      QG  ILE   60  QG2  6.00       529
NOEUPP  PRO   22  QG  LEU   61  HN   4.80      QG  LEU   61  HA   5.50       530
NOEUPP  PRO   22  QG  LEU   61  QQD  7.47                                    531
NOEUPP  ASN   23  HN  ASN   23  QD2  5.37      HN  THR   26  HN   4.30       532
NOEUPP  ASN   23  HN  THR   26  HB   3.50      HN  VAL   27  HN   4.30       533
NOEUPP  ASN   23  HN  VAL   27  QQG  7.06      HN  LEU   61  QQD  7.07       534
NOEUPP  ASN   23  HA  ASN   23 1HB   2.80      HA  ASN   23 2HB   2.80       535
NOEUPP  ASN   23  HA  GLU   24  HN   3.00      HA  GLU   24  HA   4.50       536
NOEUPP  ASN   23  HA  LEU   61  QD1  5.50      HA  LEU   61  QD2  5.50       537
NOEUPP  ASN   23  HA  LEU   61  QQD  4.82     1HB  GLU   24  HN   4.50       538
NOEUPP  ASN   23 2HB  GLU   24  HN   4.50      QB  GLU   24  HN   3.64       539
NOEUPP  ASN   23  QB  ASP   25  HN   4.58      QD2 THR   26  QG2  6.37       540
NOEUPP  GLU   24  HN  GLU   24  QB   3.38      HN  ASP   25  HN   3.50       541
NOEUPP  GLU   24  HN  LEU   61  QD1  5.50      HN  LEU   61  QD2  5.50       542
NOEUPP  GLU   24  HA  VAL   27  HN   3.90      HA  VAL   27  QQG  7.06       543
NOEUPP  GLU   24  HA  THR   28  HN   4.10      HA  LEU   61  QD1  5.50       544
NOEUPP  GLU   24  HA  LEU   61  QD2  5.50      HA  LEU   61  QQD  4.97       545
NOEUPP  GLU   24 1HB  ASP   25  HN   4.50     1HB  LEU   61  QD1  5.50       546
NOEUPP  GLU   24 1HB  LEU   61  QD2  5.50     2HB  ASP   25  HN   4.50       547
NOEUPP  GLU   24 2HB  LEU   61  QD1  5.50     2HB  LEU   61  QD2  5.50       548
NOEUPP  GLU   24  QB  ASP   25  HN   3.80                                    549
NOEUPP  ASP   25  HN  ASP   25 1HB   3.50      HN  ASP   25 2HB   3.50       550
NOEUPP  ASP   25  HN  ASP   25  QB   3.09      HN  THR   26  HN   3.00       551
NOEUPP  ASP   25  HA  ASP   25 1HB   3.00      HA  ASP   25 2HB   3.00       552
NOEUPP  ASP   25  HA  THR   28  HN   4.30      HA  THR   28  HB   3.60       553
NOEUPP  ASP   25  HA  GLN   29  HN   4.50     1HB  THR   26  HN   3.80       554
NOEUPP  ASP   25 2HB  THR   26  HN   3.80      QB  THR   26  HN   3.45       555
NOEUPP  THR   26  HN  THR   26  HB   3.10      HN  VAL   27  HN   3.00       556
NOEUPP  THR   26  HA  THR   26  HB   3.00      HA  VAL   27  HN   3.50       557
NOEUPP  THR   26  HA  GLN   29  HN   3.60      HA  GLN   29  QB   4.50       558
NOEUPP  THR   26  HA  ALA   30  HN   4.20      HB  VAL   27  HN   3.70       559
NOEUPP  THR   26  HB  VAL   27  QQG  7.06      QG2 VAL   27  HN   5.50       560
NOEUPP  THR   26  QG2 VAL   27  HA   5.50      QG2 ALA   30  HN   5.50       561
NOEUPP  VAL   27  HN  VAL   27  HB   2.70      HN  VAL   27  QQG  4.10       562
NOEUPP  VAL   27  HN  THR   28  HN   3.00      HA  ALA   30  HN   3.70       563
NOEUPP  VAL   27  HA  ALA   30  QB   4.70      HA  ALA   31  HN   4.50       564
NOEUPP  VAL   27  HB  THR   28  HN   2.90      QG1 THR   28  HN   5.50       565
NOEUPP  VAL   27  QG1 SER   57 1HB   8.62      QG1 SER   57 2HB   8.62       566
NOEUPP  VAL   27  QG1 LEU   61  QD1  8.72      QG1 LEU   61  QD2  8.72       567
NOEUPP  VAL   27  QG2 THR   28  HN   5.50      QG2 SER   57 1HB   8.62       568
NOEUPP  VAL   27  QG2 SER   57 2HB   8.62      QG2 LEU   61  QD1  8.72       569
NOEUPP  VAL   27  QG2 LEU   61  QD2  8.72      QQG THR   28  HA   7.06       570
NOEUPP  VAL   27  QQG ALA   31  HN   7.06      QQG SER   57  HA   6.36       571
NOEUPP  VAL   27  QQG SER   57  QB   7.01      QQG LEU   61  QQD  6.59       572
NOEUPP  THR   28  HN  THR   28  HB   3.10      HN  GLN   29  HN   2.80       573
NOEUPP  THR   28  HA  ALA   31  HN   3.90      HA  ALA   31  QB   4.80       574
NOEUPP  THR   28  HA  SER   32  HN   4.50      HB  GLN   29  HN   3.30       575
NOEUPP  THR   28  QG2 GLN   29  HN   5.50      QG2 GLN   29  HA   5.50       576
NOEUPP  THR   28  QG2 GLN   29  QG   6.38                                    577
NOEUPP  GLN   29  HN  GLN   29  QB   3.50      HN  GLN   29 1HG   4.50       578
NOEUPP  GLN   29  HN  GLN   29 2HG   4.50      HN  GLN   29  QG   4.26       579
NOEUPP  GLN   29  HA  GLN   33  HN   4.50      QB  ALA   30  HN   4.20       580
NOEUPP  GLN   29  QG  ALA   30  HA   5.38                                    581
NOEUPP  ALA   30  HN  ALA   30  QB   3.60      HN  ALA   31  HN   2.80       582
NOEUPP  ALA   30  HA  GLN   33  HN   4.30      HA  GLN   33  QB   4.58       583
NOEUPP  ALA   30  HA  GLN   33  QG   5.38      HA  VAL   34  HN   4.50       584
NOEUPP  ALA   30  QB  ALA   31  HN   4.40                                    585
NOEUPP  ALA   31  HN  ALA   31  QB   3.40      HN  SER   32  HN   3.00       586
NOEUPP  ALA   31  HN  VAL   34  QQG  6.76      HA  SER   32  HN   3.60       587
NOEUPP  ALA   31  HA  VAL   34  HN   4.00      HA  VAL   34  HB   3.20       588
NOEUPP  ALA   31  HA  VAL   34  QG1  4.20      HA  VAL   34  QG2  4.20       589
NOEUPP  ALA   31  HA  CYS   35  HN   4.50      HA  MET   49  QE   5.40       590
NOEUPP  SER   32  HA  CYS   35  HN   4.50      HA  ASP   36  HN   4.50       591
NOEUPP  GLN   33  HN  GLN   33  QB   3.55      HN  GLN   33 1HG   4.50       592
NOEUPP  GLN   33  HN  GLN   33 2HG   4.50      HN  GLN   33  QG   4.07       593
NOEUPP  GLN   33  HN  VAL   34  HN   2.70      HA  GLN   33  QG   4.00       594
NOEUPP  GLN   33  HA  ASP   36  HN   4.50      HA  LYS   37  HN   4.50       595
NOEUPP  GLN   33  QE2 ASP   36  HN   5.37                                    596
NOEUPP  VAL   34  HN  VAL   34  HB   2.60      HN  VAL   34  QQG  4.15       597
NOEUPP  VAL   34  HN  CYS   35  HN   3.30      HA  VAL   34  HB   2.90       598
NOEUPP  VAL   34  HA  LYS   37  HN   4.00      HA  LYS   37  QG   5.50       599
NOEUPP  VAL   34  HA  LYS   37  QD   5.50      HB  CYS   35  HN   4.50       600
NOEUPP  VAL   34  QG1 CYS   35  HN   5.50      QG1 MET   49  QE   6.30       601
NOEUPP  VAL   34  QG2 CYS   35  HN   5.50      QG2 MET   49  QE   6.30       602
NOEUPP  VAL   34  QQG CYS   35  HN   4.46      QQG CYS   35  HA   7.06       603
NOEUPP  VAL   34  QQG LYS   37  HN   7.06      QQG MET   49  QE   5.61       604
NOEUPP  CYS   35  HN  CYS   35  QB   3.46      HA  LEU   38  QQD  7.07       605
NOEUPP  CYS   35  HA  ARG   42  HA   4.50      CB  CYS   45  SG   3.10       606
NOEUPP  CYS   35 1HB  ASP   36  HN   4.50     1HB  CYS   45 1HB   6.25       607
NOEUPP  CYS   35 1HB  CYS   45 2HB   6.25     2HB  ASP   36  HN   4.50       608
NOEUPP  CYS   35 2HB  CYS   45 1HB   6.25     2HB  CYS   45 2HB   6.25       609
NOEUPP  CYS   35  QB  ASP   36  HN   3.93      QB  ARG   42  HA   5.38       610
NOEUPP  CYS   35  QB  CYS   45  QB   4.56      QB  LYS   46  QG   6.25       611
NOEUPP  CYS   35  QB  LYS   46  QD   6.25      SG  CYS   45  CB   3.10       612
NOEUPP  CYS   35  SG  CYS   45  SG   2.10                                    613
NOEUPP  ASP   36  HN  ASP   36 1HB   3.30      HN  ASP   36 2HB   3.30       614
NOEUPP  ASP   36  HN  ASP   36  QB   2.88     1HB  LYS   37  HN   4.50       615
NOEUPP  ASP   36 2HB  LYS   37  HN   4.50      QB  LYS   37  HN   4.21       616
NOEUPP  LYS   37  HN  LYS   37 1HB   3.20      HN  LYS   37 2HB   3.20       617
NOEUPP  LYS   37  HN  LYS   37  QB   2.83      HN  LYS   37  QG   4.50       618
NOEUPP  LYS   37  HN  LEU   38  HN   2.80      HA  LYS   37  QD   5.40       619
NOEUPP  LYS   37 1HB  LEU   38  HN   4.50     2HB  LEU   38  HN   4.50       620
NOEUPP  LYS   37  QB  LEU   38  HN   4.07                                    621
NOEUPP  LEU   38  HN  LEU   38 1HB   4.10      HN  LEU   38 2HB   4.10       622
NOEUPP  LEU   38  HN  LEU   38  QB   3.44      HN  LEU   38  HG   3.20       623
NOEUPP  LEU   38  HN  LEU   38  QD1  5.50      HN  LEU   38  QD2  5.50       624
NOEUPP  LEU   38  HA  LEU   38  QD1  5.50      HA  LEU   38  QD2  5.50       625
NOEUPP  LEU   38  QQD ARG   42  HA   7.07      QQD CYS   45  QB   7.85       626
NOEUPP  LYS   39  HN  LYS   39  QB   3.68      HA  LYS   39  QG   3.99       627
NOEUPP  LYS   39  HA  ARG   42  HN   3.60      QB  ILE   40  HN   3.78       628
NOEUPP  LYS   39  QB  ARG   42  QB   6.25                                    629
NOEUPP  ILE   40  QG2 LEU   41  QB   6.38                                    630
NOEUPP  LEU   41  HN  LEU   41 1HB   3.50      HN  LEU   41 2HB   3.50       631
NOEUPP  LEU   41  HN  ARG   42  HN   3.30      QQD ARG   42  HN   6.90       632
NOEUPP  LEU   41  QQD ARG   42  HA   6.90      QQD LEU   44  HN   6.90       633
NOEUPP  ARG   42  HN  ARG   42 1HB   3.60      HN  ARG   42 2HB   3.60       634
NOEUPP  ARG   42  HN  ARG   42  QB   3.10      HN  GLY   43  HN   4.10       635
NOEUPP  ARG   42  HN  GLY   43  QA   5.38      HA  ARG   42  QG   3.87       636
NOEUPP  ARG   42  HA  ARG   42  QD   5.50      HA  CYS   45 1HB   4.50       637
NOEUPP  ARG   42  HA  CYS   45 2HB   4.50      HA  CYS   45  QB   3.76       638
NOEUPP  ARG   42  HA  LYS   46  HN   4.50      HA  LYS   46  QD   5.38       639
NOEUPP  GLY   43  HN  LEU   44  HN   3.60      QA  LYS   47  HN   5.38       640
NOEUPP  LEU   44  HN  LEU   44 1HB   2.90      HN  LEU   44 2HB   2.90       641
NOEUPP  LEU   44  HN  LEU   44  QQD  7.07      HN  CYS   45  HN   2.80       642
NOEUPP  LEU   44  HA  LEU   44  QD1  5.50      HA  LEU   44  QD2  5.50       643
NOEUPP  LEU   44  HA  LYS   47  HN   3.70      HA  ILE   48  HN   4.50       644
NOEUPP  LEU   44  QB  CYS   45  HN   4.88                                    645
NOEUPP  CYS   45  HN  CYS   45 1HB   2.80      HN  CYS   45 2HB   2.80       646
NOEUPP  CYS   45  HN  CYS   45  QB   2.56      HA  LYS   46  HN   3.60       647
NOEUPP  CYS   45  HA  ILE   48  QD1  5.40      HA  MET   49  HN   4.50       648
NOEUPP  CYS   45 1HB  LYS   46  HN   4.50     2HB  LYS   46  HN   4.50       649
NOEUPP  CYS   45  QB  LYS   46  HN   4.03                                    650
NOEUPP  LYS   46  HN  LYS   46  QB   3.72      HN  LYS   46 1HG   4.30       651
NOEUPP  LYS   46  HN  LYS   46 2HG   4.30      HN  LYS   46  QG   3.91       652
NOEUPP  LYS   46  HN  LYS   46  QD   4.78      HN  LYS   47  HN   3.00       653
NOEUPP  LYS   46  HA  LYS   46  QG   3.66      HA  LYS   46 1HD   4.50       654
NOEUPP  LYS   46  HA  LYS   46 2HD   4.50      HA  MET   49  HN   3.90       655
NOEUPP  LYS   46  HA  MET   49  QG   5.38      HA  ARG   50  HN   4.50       656
NOEUPP  LYS   46  QB  LYS   47  HN   4.78                                    657
NOEUPP  LYS   47  HN  LYS   47 1HB   3.20      HN  LYS   47 2HB   3.20       658
NOEUPP  LYS   47  HN  LYS   47  QB   2.93      HN  LYS   47  QG   4.58       659
NOEUPP  LYS   47  HN  ILE   48  HN   3.00      HN  MET   49  HN   4.50       660
NOEUPP  LYS   47  HA  LYS   47 1HG   3.60      HA  LYS   47 2HG   3.60       661
NOEUPP  LYS   47  HA  LYS   47  QD   5.50      HA  ARG   50  HN   3.50       662
NOEUPP  LYS   47  HA  SER   51  HN   4.50      QB  ILE   48  HN   4.08       663
NOEUPP  ILE   48  HN  ILE   48  HB   2.80      HN  ILE   48  QG1  5.38       664
NOEUPP  ILE   48  HN  ILE   48  QD1  5.50      HN  MET   49  HN   2.80       665
NOEUPP  ILE   48  HN  ARG   50  HN   4.50      HA  ILE   48  QG1  3.71       666
NOEUPP  ILE   48  HA  SER   51  HN   4.50      HA  SER   51  QB   5.38       667
NOEUPP  ILE   48  HA  PHE   52  HN   4.50      HA  PHE   52  QD   6.00       668
NOEUPP  ILE   48  HA  PHE   52  QE   6.50      HB  MET   49  HN   3.10       669
NOEUPP  ILE   48  QG2 MET   49  HN   5.50      QG2 MET   49  QE   6.50       670
NOEUPP  ILE   48  QG2 PHE   52  QB   6.38      QG2 PHE   52  QD   7.50       671
NOEUPP  ILE   48  QG2 PHE   52  QE   7.50      QG2 ILE   73  QD1  5.60       672
NOEUPP  ILE   48  QG1 PHE   52  QD   7.38      QG1 PHE   52  QE   7.38       673
NOEUPP  MET   49  HN  MET   49  QB   3.50      HN  MET   49  QG   3.58       674
NOEUPP  MET   49  HN  ARG   50  HN   3.00      HA  MET   49  QB   2.76       675
NOEUPP  MET   49  HA  LEU   53  QD1  5.50      HA  LEU   53  QD2  5.50       676
NOEUPP  MET   49  HA  ILE   56  QD1  5.50      QB  ARG   50  HN   4.18       677
NOEUPP  MET   49  QG  ILE   56  QG2  6.38      QE  ILE   56  QD1  5.90       678
NOEUPP  ARG   50  HN  ARG   50 1HB   2.80      HN  ARG   50 2HB   2.80       679
NOEUPP  ARG   50  HN  ARG   50  QG   5.50      HN  SER   51  HN   3.10       680
NOEUPP  ARG   50  HA  ARG   50  QB   2.75      HA  ARG   50  QD   5.50       681
NOEUPP  ARG   50 1HB  SER   51  HN   3.70     2HB  SER   51  HN   3.70       682
NOEUPP  SER   51  HN  SER   51  QB   3.50      HN  PHE   52  HN   2.90       683
NOEUPP  SER   51 1HB  PHE   52  HN   4.50     1HB  PHE   52  QD   6.50       684
NOEUPP  SER   51 1HB  PHE   52  QE   6.50     2HB  PHE   52  HN   4.50       685
NOEUPP  SER   51 2HB  PHE   52  QD   6.50     2HB  PHE   52  QE   6.50       686
NOEUPP  SER   51  QB  PHE   52  HN   3.93                                    687
NOEUPP  PHE   52  HN  PHE   52  QB   3.53      HN  LEU   53  HN   3.10       688
NOEUPP  PHE   52  HA  PHE   52  QB   2.76      HA  ARG   54  HN   4.50       689
NOEUPP  PHE   52  HA  ARG   55  HN   4.20      HA  ARG   55  QB   5.38       690
NOEUPP  PHE   52 1HB  ILE   56  QD1  5.50     1HB  ILE   73  QD1  5.50       691
NOEUPP  PHE   52 2HB  ILE   56  QD1  5.50     2HB  ILE   73  QD1  5.50       692
NOEUPP  PHE   52  QB  ILE   56  QG1  6.25      QB  ILE   56  QD1  5.18       693
NOEUPP  PHE   52  QB  ILE   73  QG2  6.18      QD  ARG   55  QB   7.38       694
NOEUPP  PHE   52  QD  ARG   55  QG   7.38      QD  ILE   73  HB   4.80       695
NOEUPP  PHE   52  QD  ILE   73  QG2  7.50      QD  ILE   73  QD1  7.30       696
NOEUPP  PHE   52  QE  ILE   73  QG2  7.50      QE  ILE   73  QD1  7.50       697
NOEUPP  LEU   53  HN  LEU   53 1HB   2.80      HN  LEU   53 2HB   2.80       698
NOEUPP  LEU   53  HN  LEU   53  QD1  5.50      HN  LEU   53  QD2  5.50       699
NOEUPP  LEU   53  HN  ARG   54  HN   4.00      HA  LEU   53  QD1  5.50       700
NOEUPP  LEU   53  HA  LEU   53  QD2  5.50      HA  ILE   56  HN   4.30       701
NOEUPP  LEU   53  QB  ARG   54  HN   5.38      QD1 ARG   54  HN   5.50       702
NOEUPP  LEU   53  QD2 ARG   54  HN   5.50                                    703
NOEUPP  ARG   54  HN  ARG   54  QB   3.59      HN  ARG   54  QG   5.38       704
NOEUPP  ARG   54  HN  ARG   55  HN   3.10      HA  ARG   54  QD   5.50       705
NOEUPP  ARG   54 1HB  ARG   55  HN   4.30     2HB  ARG   55  HN   4.30       706
NOEUPP  ARG   54  QB  ARG   55  HN   3.82                                    707
NOEUPP  ARG   55  HN  ARG   55 1HB   3.40      HN  ARG   55 2HB   3.40       708
NOEUPP  ARG   55  HN  ILE   56  HN   3.10      HA  ARG   55 1HD   4.50       709
NOEUPP  ARG   55  HA  ARG   55 2HD   4.50      HA  ARG   55  QD   4.17       710
NOEUPP  ARG   55  HA  TRP   58  HN   3.90      HA  TRP   58 1HB   4.50       711
NOEUPP  ARG   55  HA  TRP   58 2HB   4.50      HA  TRP   58  QB   3.89       712
NOEUPP  ARG   55  HA  ASP   59  HN   4.50     1HB  ILE   73  QG2  5.50       713
NOEUPP  ARG   55 2HB  ILE   73  QG2  5.50     1HG  ILE   73  QG2  5.50       714
NOEUPP  ARG   55 2HG  ILE   73  QG2  5.50      QG  ILE   56  HN   5.38       715
NOEUPP  ARG   55  QG  ILE   73  QD1  6.38     1HD  ILE   73  QG2  5.50       716
NOEUPP  ARG   55 2HD  ILE   73  QG2  5.50                                    717
NOEUPP  ILE   56  HN  ILE   56  HB   2.90      HN  ILE   56  QG1  4.38       718
NOEUPP  ILE   56  HN  ILE   56  QD1  5.50      HN  SER   57  HN   3.00       719
NOEUPP  ILE   56  HA  ILE   56 1HG1  3.70      HA  ILE   56 2HG1  3.70       720
NOEUPP  ILE   56  HA  ILE   56  QG1  3.39      HA  ILE   56  QD1  4.30       721
NOEUPP  ILE   56  HA  ASP   59  HN   4.50      HA  ASP   59  QB   4.48       722
NOEUPP  ILE   56  HA  ILE   60  HN   4.50      HA  ILE   69  QD1  5.80       723
NOEUPP  ILE   56  HB  SER   57  HN   3.40      QG2 SER   57  HN   5.50       724
NOEUPP  ILE   56  QG1 ILE   73  QD1  6.38      QD1 TRP   58  HE3  5.70       725
NOEUPP  ILE   56  QD1 TRP   58  HZ3  5.70                                    726
NOEUPP  SER   57  HN  SER   57 1HB   3.40      HN  SER   57 2HB   3.40       727
NOEUPP  SER   57  HN  SER   57  QB   3.18      HN  TRP   58  HN   3.30       728
NOEUPP  SER   57  HA  ILE   60  HN   3.90      HA  ILE   60  QD1  5.50       729
NOEUPP  SER   57  HA  LEU   61  HN   4.50      HA  LEU   61  QQD  7.07       730
NOEUPP  SER   57  QB  LEU   61  QQD  7.95                                    731
NOEUPP  TRP   58  HN  TRP   58  QB   3.50      HN  ASP   59  HN   3.20       732
NOEUPP  TRP   58  HA  TRP   58  HD1  4.50      HA  LEU   61  HN   4.30       733
NOEUPP  TRP   58  HA  THR   62  HN   4.50      HA  THR   62  QG2  5.50       734
NOEUPP  TRP   58 1HB  ASP   59  HN   4.10     2HB  ASP   59  HN   3.90       735
NOEUPP  TRP   58  HD1 ASP   59  HA   4.60      HD1 THR   62  HB   4.60       736
NOEUPP  TRP   58  HD1 THR   62  QG2  5.60      HD1 LYS   64  QE   5.60       737
NOEUPP  TRP   58  HE1 THR   62  QG2  5.60      HE1 LYS   64  QB   5.48       738
NOEUPP  TRP   58  HE1 LYS   64  QE   5.60      HH2 ILE   73  HB   5.10       739
NOEUPP  TRP   58  HH2 ILE   73  QD1  5.70                                    740
NOEUPP  ASP   59  HN  ASP   59  QB   3.42      HN  ILE   60  HN   3.80       741
NOEUPP  ASP   59  HA  THR   62  HN   4.40     1HB  ILE   69 1HG1  5.75       742
NOEUPP  ASP   59 1HB  ILE   69 2HG1  5.75     1HB  ILE   69  QD1  5.00       743
NOEUPP  ASP   59 2HB  ILE   69 1HG1  5.75     2HB  ILE   69 2HG1  5.75       744
NOEUPP  ASP   59 2HB  ILE   69  QD1  5.00      QB  ILE   60  HN   4.38       745
NOEUPP  ASP   59  QB  ILE   69  QG1  4.45      QB  ILE   69  QD1  4.77       746
NOEUPP  ILE   60  HN  ILE   60  HB   2.70      HN  ILE   60  QG1  5.38       747
NOEUPP  ILE   60  HN  ILE   60  QD1  5.50      HN  LEU   61  HN   2.90       748
NOEUPP  ILE   60  HN  ILE   69  QD1  5.50      HA  ILE   60  QG1  3.46       749
NOEUPP  ILE   60  HA  GLY   63  HN   3.90      HA  LYS   64  HN   3.80       750
NOEUPP  ILE   60  HA  ILE   69  QD1  5.50      HB  LEU   61  HN   3.10       751
NOEUPP  ILE   60  QG2 LEU   61  HN   5.50      QG2 LEU   61  HA   5.50       752
NOEUPP  ILE   60  QG1 ILE   69  QD1  5.78      QD1 ILE   69  QD1  4.60       753
NOEUPP  LEU   61  HN  LEU   61  HA   2.90      HN  LEU   61  QB   3.90       754
NOEUPP  LEU   61  HN  LEU   61  HG   3.00      HN  LEU   61  QD1  5.50       755
NOEUPP  LEU   61  HN  LEU   61  QD2  5.50      HN  THR   62  HN   3.30       756
NOEUPP  LEU   61  HA  LEU   61  QD1  5.50      HA  LEU   61  QD2  5.50       757
NOEUPP  LEU   61 1HB  THR   62  HN   4.10     2HB  THR   62  HN   4.10       758
NOEUPP  LEU   61  QB  THR   62  HN   3.85      QQD THR   62  HN   6.77       759
NOEUPP  THR   62  HN  THR   62  QG2  4.40      HN  GLY   63  HN   2.90       760
NOEUPP  THR   62  HA  GLY   63  HN   3.30      QG2 GLY   63  HN   5.50       761
NOEUPP  GLY   63  HN  LYS   64  HN   3.20                                    762
NOEUPP  LYS   64  HN  LYS   64 1HB   3.10      HN  LYS   64 2HB   3.10       763
NOEUPP  LYS   64  HN  LYS   64  QB   2.77      HN  LYS   64  QG   4.38       764
NOEUPP  LYS   64  HN  LYS   65  HN   4.50      HA  LYS   64  QD   5.50       765
NOEUPP  LYS   64  HA  LYS   65  HN   2.60     1HB  LYS   65  HN   4.10       766
NOEUPP  LYS   64 2HB  LYS   65  HN   4.10      QB  ILE   69  QD1  6.38       767
NOEUPP  LYS   64  QG  ILE   69  QD1  6.38                                    768
NOEUPP  LYS   65  HN  LYS   65  QB   3.42      HN  LYS   65  QG   4.60       769
NOEUPP  LYS   65  HN  ALA   68  QB   5.20      HA  PRO   66 1HD   4.00       770
NOEUPP  LYS   65  HA  PRO   66 2HD   4.00      HA  PRO   66  QD   3.65       771
NOEUPP  PRO   66 1HB  GLN   67  HN   4.50     2HB  GLN   67  HN   4.50       772
NOEUPP  PRO   66  QB  GLN   67  HN   4.31      QG  ALA   68  HN   5.38       773
NOEUPP  PRO   66 1HD  GLN   67  HN   4.50     2HD  GLN   67  HN   4.50       774
NOEUPP  PRO   66  QD  ILE   69  HN   5.38      QD  ILE   69  HB   5.68       775
NOEUPP  PRO   66  QD  ILE   69  QD1  6.38                                    776
NOEUPP  GLN   67  HN  GLN   67 1HB   3.20      HN  GLN   67 2HB   3.20       777
NOEUPP  GLN   67  HN  GLN   67  QB   2.98      HN  ALA   68  HN   3.00       778
NOEUPP  GLN   67  HA  GLN   67  QG   3.91      HA  CYS   70  HN   4.00       779
NOEUPP  GLN   67  HA  CYS   70  QB   4.28      HA  VAL   71  HN   4.50       780
NOEUPP  GLN   67 1HB  ALA   68  HN   4.50     2HB  ALA   68  HN   4.50       781
NOEUPP  GLN   67  QB  ALA   68  HN   3.76      QG  ALA   68  HN   5.38       782
NOEUPP  GLN   67  QG  VAL   71  QQG  7.94      QE2 VAL   71  QQG  7.93       783
NOEUPP  ALA   68  HN  ALA   68  QB   3.40      HN  ILE   69  HN   2.90       784
NOEUPP  ALA   68  HA  VAL   71  HN   3.50      HA  VAL   71  HB   3.00       785
NOEUPP  ALA   68  HA  ASP   72  HN   4.50      QB  ILE   69  HN   4.40       786
NOEUPP  ALA   68  QB  VAL   71  HN   5.50                                    787
NOEUPP  ILE   69  HN  ILE   69  HB   2.90      HN  ILE   69  QG1  3.78       788
NOEUPP  ILE   69  HN  ILE   69  QD1  5.50      HA  ILE   69 1HG1  3.80       789
NOEUPP  ILE   69  HA  ILE   69 2HG1  3.80      HA  ILE   69  QG1  3.14       790
NOEUPP  ILE   69  HA  ASP   72  HN   3.50      HA  ASP   72 1HB   3.40       791
NOEUPP  ILE   69  HA  ASP   72 2HB   3.40      HA  ILE   73  HN   4.50       792
NOEUPP  ILE   69  HB  CYS   70  HN   3.20                                    793
NOEUPP  CYS   70  HN  CYS   70 1HB   3.60      HN  CYS   70 2HB   3.60       794
NOEUPP  CYS   70  HN  CYS   70  QB   3.10      HN  VAL   71  HN   3.00       795
NOEUPP  CYS   70  HA  ILE   73  HN   3.80      HA  ILE   73  QD1  5.50       796
NOEUPP  CYS   70  HA  LYS   74  HN   4.30      HA  ILE   75  QD1  4.20       797
NOEUPP  CYS   70  QB  VAL   71  HN   4.58      QB  CYS   76  HN   5.38       798
NOEUPP  VAL   71  HN  VAL   71  HB   2.80      HN  VAL   71  QQG  4.24       799
NOEUPP  VAL   71  HN  ASP   72  HN   2.70      HA  LYS   74  HN   3.70       800
NOEUPP  VAL   71  HA  CYS   76  HN   3.20      HA  CYS   76 1HB   4.50       801
NOEUPP  VAL   71  HA  CYS   76 2HB   4.50      HA  CYS   76  QB   4.07       802
NOEUPP  VAL   71  HB  ASP   72  HN   3.00      QG1 ASP   72  HN   5.50       803
NOEUPP  VAL   71  QG1 CYS   76 1HB   8.32      QG1 CYS   76 2HB   8.32       804
NOEUPP  VAL   71  QG1 GLU   78  QG   6.50      QG2 ASP   72  HN   5.50       805
NOEUPP  VAL   71  QG2 CYS   76 1HB   8.32      QG2 CYS   76 2HB   8.32       806
NOEUPP  VAL   71  QG2 GLU   78  QG   6.50      QQG ASP   72  HA   7.06       807
NOEUPP  VAL   71  QQG ILE   75  HN   7.06      QQG CYS   76  HN   7.06       808
NOEUPP  VAL   71  QQG CYS   76  QB   6.65      QQG LYS   77  HA   7.06       809
NOEUPP  VAL   71  QQG GLU   78  HA   6.86                                    810
NOEUPP  ASP   72  HN  ASP   72 1HB   3.00      HN  ASP   72 2HB   3.00       811
NOEUPP  ASP   72  HN  ASP   72  QB   2.72      HN  ILE   73  HN   3.30       812
NOEUPP  ASP   72  HN  LYS   74  HN   4.00     1HB  ILE   73  HN   3.90       813
NOEUPP  ASP   72 2HB  ILE   73  HN   3.90      QB  ILE   73  HN   3.46       814
NOEUPP  ASP   72  QB  ILE   73  QG2  6.38                                    815
NOEUPP  ILE   73  HN  ILE   73 1HG1  4.00      HN  ILE   73 2HG1  4.00       816
NOEUPP  ILE   73  HN  ILE   73  QG1  3.38      HN  ILE   73  QD1  5.50       817
NOEUPP  ILE   73  HA  ILE   73  HB   3.00      HA  LYS   74  HN   3.60       818
NOEUPP  ILE   73  QG2 LYS   74  HN   5.50      QG1 LYS   74  HN   5.38       819
NOEUPP  ILE   73  QD1 LYS   74  HN   5.50      QD1 ILE   75  QD1  4.60       820
NOEUPP  LYS   74  HN  LYS   74  HA   2.60      HN  LYS   74  QB   3.86       821
NOEUPP  LYS   74  HN  LYS   74 1HG   4.50      HN  LYS   74 2HG   4.50       822
NOEUPP  LYS   74  HA  ILE   75  HN   2.90      HA  CYS   76  HN   4.50       823
NOEUPP  LYS   74 1HD  GLU   78  QG   5.50     2HD  GLU   78  QG   5.50       824
NOEUPP  ILE   75  HN  ILE   75  HB   3.00      HN  ILE   75 1HG1  4.50       825
NOEUPP  ILE   75  HN  ILE   75 2HG1  4.50      HN  ILE   75  QG1  3.98       826
NOEUPP  ILE   75  HN  ILE   75  QD1  5.50      HN  CYS   76  HN   2.70       827
NOEUPP  ILE   75  HA  ILE   75  QG1  3.80      HA  ILE   75  QD1  4.90       828
NOEUPP  ILE   75  HA  CYS   76  HN   3.60      HB  CYS   76  HN   3.20       829
NOEUPP  ILE   75  QG2 CYS   76  HN   5.50                                    830
NOEUPP  CYS   76  HN  CYS   76  QB   3.50      HA  LYS   77  HN   3.60       831
NOEUPP  CYS   76  QB  GLU   78  HN   4.88                                    832
NOEUPP  LYS   77  HN  GLU   78  HN   3.50      HA  GLU   78  HN   2.90       833
NOEUPP  GLU   78  HN  GLU   78 1HB   3.50      HN  GLU   78 2HB   3.50       834
NOEUPP  GLU   78  HN  GLU   78  QB   3.24      HN  GLU   78  QG   4.80       835
ANGLE   TYR    2 PHI   -190.00   70.00        CHI1  -190.00 -165.00          836
ANGLE   TYR    2 PSI    -60.00   30.00                                       837
ANGLE   PHE    3 PHI    -90.00  -30.00        CHI1   -80.00  -40.00          838
ANGLE   PHE    3 PSI    -60.00  -40.00                                       839
ANGLE   CYS    4 PHI    -60.00  -30.00        CHI1  -190.00 -160.00          840
ANGLE   CYS    4 PSI    -60.00  -40.00                                       841
ANGLE   GLU    5 PHI    -70.00  -45.00        CHI1  -190.00 -160.00          842
ANGLE   GLU    5 PSI    -60.00  -50.00                                       843
ANGLE   SER    6 PHI    -70.00  -50.00        CHI1   -80.00  -40.00          844
ANGLE   SER    6 PSI    -60.00  -40.00                                       845
ANGLE   CYS    7 PHI    -60.00  -45.00        CHI1   170.00  190.00          846
ANGLE   CYS    7 PSI    -60.00  -30.00                                       847
ANGLE   ARG    8 PHI    -70.00  -50.00        CHI1  -190.00 -160.00          848
ANGLE   ARG    8 PSI    -60.00  -40.00                                       849
ANGLE   LYS    9 PHI    -80.00  -50.00        CHI1  -190.00 -160.00          850
ANGLE   LYS    9 PSI    -60.00  -35.00                                       851
ANGLE   ILE   10 PHI    -70.00  -50.00        CHI1   -80.00  -50.00          852
ANGLE   ILE   10 PSI    -60.00  -50.00                                       853
ANGLE   ILE   11 PHI    -75.00  -50.00        CHI1   -80.00  -50.00          854
ANGLE   ILE   11 PSI    -60.00  -40.00                                       855
ANGLE   GLN   12 PHI    -60.00  -35.00        CHI1   -80.00  -50.00          856
ANGLE   GLN   12 PSI    -60.00  -40.00                                       857
ANGLE   LYS   13 PHI    -80.00  -50.00        CHI1  -190.00 -160.00          858
ANGLE   LYS   13 PSI    -50.00  -30.00                                       859
ANGLE   LEU   14 PHI    -75.00  -60.00        CHI1  -190.00 -160.00          860
ANGLE   LEU   14 PSI    -60.00  -40.00                                       861
ANGLE   GLU   15 PHI    -70.00  -50.00        CHI1  -190.00 -165.00          862
ANGLE   GLU   15 PSI    -60.00  -40.00                                       863
ANGLE   ASP   16 PHI    -65.00  -50.00        CHI1   160.00  190.00          864
ANGLE   ASP   16 PSI    -60.00  -30.00                                       865
ANGLE   MET   17 PHI    -80.00  -60.00        CHI1   -80.00  -50.00          866
ANGLE   MET   17 PSI    -60.00  -50.00                                       867
ANGLE   VAL   18 PHI    -60.00  -55.00        CHI1    50.00   80.00          868
ANGLE   VAL   18 PSI    -60.00  -30.00                                       869
ANGLE   GLY   19 PHI     80.00  120.00        PSI   -200.00 -140.00          870
ANGLE   PRO   20 PSI    -10.00  210.00                                       871
ANGLE   GLN   21 PHI   -150.00   55.00        CHI1   -80.00  -50.00          872
ANGLE   GLN   21 PSI     60.00  100.00                                       873
ANGLE   PRO   22 PSI   -180.00 -160.00                                       874
ANGLE   ASN   23 PHI   -173.00 -140.00        CHI1    40.00   80.00          875
ANGLE   ASN   23 PSI    145.00  160.00                                       876
ANGLE   GLU   24 PHI    -40.00  -35.00        CHI1   160.00  190.00          877
ANGLE   GLU   24 PSI    -40.00  -35.00                                       878
ANGLE   ASP   25 PHI    -80.00  -60.00        CHI1  -190.00 -160.00          879
ANGLE   ASP   25 PSI    -60.00  -50.00                                       880
ANGLE   THR   26 PHI    -70.00  -50.00        CHI1   -80.00  -50.00          881
ANGLE   THR   26 PSI    -50.00  -20.00                                       882
ANGLE   VAL   27 PHI    -75.00  -60.00        CHI1   160.00  190.00          883
ANGLE   VAL   27 PSI    -60.00  -30.00                                       884
ANGLE   THR   28 PHI    -70.00  -50.00        CHI1   -80.00  -50.00          885
ANGLE   THR   28 PSI    -60.00  -40.00                                       886
ANGLE   GLN   29 PHI    -80.00  -70.00        CHI1    50.00   70.00          887
ANGLE   GLN   29 PSI    -60.00  -30.00                                       888
ANGLE   ALA   30 PHI    -70.00  -40.00        PSI    -60.00  -30.00          889
ANGLE   ALA   31 PHI    -80.00  -60.00        PSI    -60.00  -50.00          890
ANGLE   SER   32 PHI    -60.00  -45.00        CHI1    50.00   80.00          891
ANGLE   SER   32 PSI    -30.00  -10.00                                       892
ANGLE   GLN   33 PHI   -100.00  -90.00        CHI1   -80.00  -50.00          893
ANGLE   GLN   33 PSI    -50.00  -20.00                                       894
ANGLE   VAL   34 PHI    -60.00  -40.00        CHI1    40.00   80.00          895
ANGLE   VAL   34 PSI    -60.00  -40.00                                       896
ANGLE   CYS   35 PHI    -75.00  -70.00        CHI1   -80.00  -50.00          897
ANGLE   CYS   35 PSI    -60.00  -50.00                                       898
ANGLE   ASP   36 PHI    -50.00  -45.00        CHI1  -190.00 -160.00          899
ANGLE   ASP   36 PSI    -50.00  -30.00                                       900
ANGLE   LYS   37 PHI    -90.00  -75.00        CHI1  -190.00 -160.00          901
ANGLE   LYS   37 PSI    -60.00  -40.00                                       902
ANGLE   LEU   38 PHI    -80.00  -75.00        CHI1   -80.00  -50.00          903
ANGLE   LEU   38 PSI     80.00  110.00                                       904
ANGLE   LYS   39 PHI    -95.00  -80.00        CHI1    50.00   80.00          905
ANGLE   LYS   39 PSI    160.00  190.00                                       906
ANGLE   ILE   40 PHI     65.00   80.00        CHI1   -80.00  -50.00          907
ANGLE   ILE   40 PSI    -70.00  -50.00                                       908
ANGLE   LEU   41 PHI   -100.00  -85.00        CHI1  -190.00 -160.00          909
ANGLE   LEU   41 PSI     10.00   40.00                                       910
ANGLE   ARG   42 PHI    -75.00  -60.00        CHI1  -190.00 -160.00          911
ANGLE   ARG   42 PSI    -60.00  -30.00                                       912
ANGLE   GLY   43 PHI    -60.00  -30.00        PSI    -60.00  -30.00          913
ANGLE   LEU   44 PHI    -80.00  -60.00        CHI1  -190.00 -160.00          914
ANGLE   LEU   44 PSI    -60.00  -40.00                                       915
ANGLE   CYS   45 PHI    -60.00  -35.00        CHI1   165.00  190.00          916
ANGLE   CYS   45 PSI    -60.00  -40.00                                       917
ANGLE   LYS   46 PHI    -70.00  -45.00        CHI1   -80.00  -40.00          918
ANGLE   LYS   46 PSI    -60.00  -40.00                                       919
ANGLE   LYS   47 PHI    -70.00  -35.00        CHI1  -190.00 -160.00          920
ANGLE   LYS   47 PSI    -60.00  -40.00                                       921
ANGLE   ILE   48 PHI    -70.00  -55.00        CHI1   -80.00  -50.00          922
ANGLE   ILE   48 PSI    -60.00  -30.00                                       923
ANGLE   MET   49 PHI    -80.00  -60.00        CHI1   -80.00  -50.00          924
ANGLE   MET   49 PSI    -60.00  -15.00                                       925
ANGLE   ARG   50 PHI    -80.00  -40.00        CHI1  -190.00 -160.00          926
ANGLE   ARG   50 PSI    -60.00  -30.00                                       927
ANGLE   SER   51 PHI   -120.00  -60.00        CHI1  -190.00 -160.00          928
ANGLE   SER   51 PSI    -50.00  -10.00                                       929
ANGLE   PHE   52 PHI   -155.00  -90.00        CHI1   -80.00  -40.00          930
ANGLE   PHE   52 PSI     40.00   75.00                                       931
ANGLE   LEU   53 PHI    -75.00  -60.00        CHI1  -190.00 -160.00          932
ANGLE   LEU   53 PSI    -80.00  -60.00                                       933
ANGLE   ARG   54 PHI    -70.00  -45.00        CHI1  -190.00 -160.00          934
ANGLE   ARG   54 PSI    -40.00  -10.00                                       935
ANGLE   ARG   55 PHI    -70.00  -50.00        CHI1   -80.00  -50.00          936
ANGLE   ARG   55 PSI    -60.00  -40.00                                       937
ANGLE   ILE   56 PHI    -60.00  -55.00        CHI1   -80.00  -40.00          938
ANGLE   ILE   56 PSI    -30.00  -20.00                                       939
ANGLE   SER   57 PHI    -84.00  -70.00        CHI1  -190.00 -160.00          940
ANGLE   SER   57 PSI    -60.00  -50.00                                       941
ANGLE   TRP   58 PHI    -60.00  -45.00        CHI1   110.00  180.00          942
ANGLE   TRP   58 PSI    -60.00  -50.00                                       943
ANGLE   ASP   59 PHI    -50.00  -45.00        CHI1   -80.00  -50.00          944
ANGLE   ASP   59 PSI    -60.00  -50.00                                       945
ANGLE   ILE   60 PHI    -60.00  -55.00        CHI1   -80.00  -50.00          946
ANGLE   ILE   60 PSI    -60.00  -40.00                                       947
ANGLE   LEU   61 PHI    -60.00  -40.00        CHI1   -80.00  -50.00          948
ANGLE   LEU   61 PSI    -50.00  -30.00                                       949
ANGLE   THR   62 PHI    -90.00  -80.00        CHI1    50.00   80.00          950
ANGLE   THR   62 PSI      0.00   30.00                                       951
ANGLE   GLY   63 PHI     30.00   40.00        PSI     50.00   70.00          952
ANGLE   LYS   64 PHI   -110.00  -90.00        CHI1  -190.00 -160.00          953
ANGLE   LYS   64 PSI    145.00  160.00                                       954
ANGLE   LYS   65 PHI    -70.00  -50.00        CHI1   -80.00  -40.00          955
ANGLE   LYS   65 PSI    160.00  170.00                                       956
ANGLE   PRO   66 PSI    -70.00  -50.00                                       957
ANGLE   GLN   67 PHI    -60.00  -40.00        CHI1  -190.00 -160.00          958
ANGLE   GLN   67 PSI    -40.00  -20.00                                       959
ANGLE   ALA   68 PHI    -87.00  -80.00        PSI    -50.00  -30.00          960
ANGLE   ILE   69 PHI    -60.00  -50.00        CHI1   -80.00  -50.00          961
ANGLE   ILE   69 PSI    -60.00  -50.00                                       962
ANGLE   CYS   70 PHI    -60.00  -50.00        CHI1   -80.00  -50.00          963
ANGLE   CYS   70 PSI    -60.00  -40.00                                       964
ANGLE   VAL   71 PHI    -70.00  -50.00        CHI1   160.00  190.00          965
ANGLE   VAL   71 PSI    -50.00  -25.00                                       966
ANGLE   ASP   72 PHI    -65.00  -50.00        CHI1  -190.00 -160.00          967
ANGLE   ASP   72 PSI    -60.00  -50.00                                       968
ANGLE   ILE   73 PHI    -90.00  -80.00        CHI1    40.00   70.00          969
ANGLE   ILE   73 PSI    -10.00   10.00                                       970
ANGLE   LYS   74 PHI     60.00   85.00        CHI1  -190.00 -165.00          971
ANGLE   LYS   74 PSI     60.00  100.00                                       972
ANGLE   ILE   75 PHI   -140.00 -120.00        CHI1   -80.00  -50.00          973
ANGLE   ILE   75 PSI    -50.00  -20.00                                       974
ANGLE   CYS   76 PHI   -110.00  -85.00        CHI1  -190.00 -160.00          975
ANGLE   CYS   76 PSI   -190.00   30.00                                       976
ANGLE   LYS   77 PHI     45.00  275.00        CHI1  -190.00 -160.00          977
ANGLE   LYS   77 PSI     25.00   80.00                                       978
ANGLE   GLU   78 PHI    -90.00  -20.00        CHI1   -80.00  -40.00          979
MASTER       73    0   63  136  106  448  144                                980
END                                                                          981

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -15.605  -3.098   2.759
    2   2H    GLY   1          2H        GLY   1 -16.800  -2.036   2.337
    3   3H    GLY   1          3H        GLY   1 -15.356  -1.473   2.860
    4   1HA   GLY   1          1HA       GLY   1 -16.863  -1.259   4.671
    5   2HA   GLY   1          2HA       GLY   1 -17.371  -2.953   4.415
    6    H    TYR   2           H        TYR   2 -15.856  -1.398   6.769
    7    HA   TYR   2           HA       TYR   2 -14.061  -1.470   8.103
    8   1HB   TYR   2          1HB       TYR   2 -14.822  -3.706   8.713
    9   2HB   TYR   2          2HB       TYR   2 -13.950  -4.411   7.351
   10    HD1  TYR   2           HD2      TYR   2 -13.202  -1.995  10.179
   11    HD2  TYR   2           HD1      TYR   2 -11.898  -5.453   7.928
   12    HE1  TYR   2           HE2      TYR   2 -11.027  -1.921  11.317
   13    HE2  TYR   2           HE1      TYR   2  -9.730  -5.401   9.126
   14    HH   TYR   2           HH       TYR   2  -8.787  -2.494  10.645
   15    H    PHE   3           H        PHE   3 -13.049  -3.400   5.363
   16    HA   PHE   3           HA       PHE   3 -10.530  -2.980   4.855
   17   1HB   PHE   3          1HB       PHE   3 -12.909  -2.572   3.024
   18   2HB   PHE   3          2HB       PHE   3 -11.256  -2.543   2.447
   19    HD1  PHE   3           HD1      PHE   3 -11.563  -5.106   5.005
   20    HD2  PHE   3           HD2      PHE   3 -12.289  -4.143   0.842
   21    HE1  PHE   3           HE1      PHE   3 -11.616  -7.503   4.442
   22    HE2  PHE   3           HE2      PHE   3 -12.300  -6.554   0.293
   23    HZ   PHE   3           HZ       PHE   3 -11.956  -8.230   2.095
   24    H    CYS   4           H        CYS   4 -12.803  -0.161   4.571
   25    HA   CYS   4           HA       CYS   4 -10.929   1.435   3.090
   26   1HB   CYS   4          1HB       CYS   4 -13.477   1.862   3.465
   27   2HB   CYS   4          2HB       CYS   4 -12.982   2.605   4.986
   28    H    GLU   5           H        GLU   5 -11.531   0.974   6.608
   29    HA   GLU   5           HA       GLU   5  -9.608   2.900   7.606
   30   1HB   GLU   5          1HB       GLU   5 -11.367   2.022   9.043
   31   2HB   GLU   5          2HB       GLU   5 -10.911   0.358   8.736
   32   1HG   GLU   5          1HG       GLU   5  -9.120   2.347  10.173
   33   2HG   GLU   5          2HG       GLU   5 -10.282   1.310  10.988
   34    H    SER   6           H        SER   6  -9.652  -0.637   7.130
   35    HA   SER   6           HA       SER   6  -7.059  -1.151   7.843
   36   1HB   SER   6          1HB       SER   6  -8.373  -2.620   5.534
   37   2HB   SER   6          2HB       SER   6  -7.345  -3.270   6.812
   38    HG   SER   6           HG       SER   6  -9.157  -2.443   8.251
   39    H    CYS   7           H        CYS   7  -8.165  -0.525   4.546
   40    HA   CYS   7           HA       CYS   7  -5.723  -0.639   3.135
   41   1HB   CYS   7          1HB       CYS   7  -7.904  -0.899   2.154
   42   2HB   CYS   7          2HB       CYS   7  -8.388   0.726   2.626
   43    H    ARG   8           H        ARG   8  -7.513   2.200   4.578
   44    HA   ARG   8           HA       ARG   8  -5.571   4.089   3.732
   45   1HB   ARG   8          1HB       ARG   8  -7.811   4.724   4.509
   46   2HB   ARG   8          2HB       ARG   8  -7.451   4.184   6.146
   47   1HG   ARG   8          1HG       ARG   8  -5.512   6.169   5.051
   48   2HG   ARG   8          2HG       ARG   8  -7.161   6.772   5.153
   49   1HD   ARG   8          1HD       ARG   8  -7.283   6.419   7.500
   50   2HD   ARG   8          2HD       ARG   8  -5.814   5.446   7.526
   51    HE   ARG   8           HE       ARG   8  -4.621   7.596   6.751
   52   1HH1  ARG   8          2HH2      ARG   8  -7.455   7.799   8.901
   53   2HH1  ARG   8          1HH2      ARG   8  -6.958   9.306   9.579
   54   1HH2  ARG   8          2HH1      ARG   8  -4.004   9.508   7.601
   55   2HH2  ARG   8          1HH1      ARG   8  -4.905  10.323   8.831
   56    H    LYS   9           H        LYS   9  -5.775   2.214   6.809
   57    HA   LYS   9           HA       LYS   9  -3.447   3.350   7.990
   58   1HB   LYS   9          1HB       LYS   9  -5.212   2.086   9.168
   59   2HB   LYS   9          2HB       LYS   9  -4.758   0.608   8.324
   60   1HG   LYS   9          1HG       LYS   9  -2.586   0.568   9.403
   61   2HG   LYS   9          2HG       LYS   9  -2.872   2.145  10.165
   62   1HD   LYS   9          1HD       LYS   9  -4.687  -0.257  10.631
   63   2HD   LYS   9          2HD       LYS   9  -3.238   0.024  11.612
   64   1HE   LYS   9          1HE       LYS   9  -4.078   2.068  12.512
   65   2HE   LYS   9          2HE       LYS   9  -5.332   2.187  11.262
   66   1HZ   LYS   9          2HZ       LYS   9  -5.370   0.063  13.301
   67   2HZ   LYS   9          3HZ       LYS   9  -6.249   1.470  13.362
   68   3HZ   LYS   9          1HZ       LYS   9  -6.491   0.435  12.136
   69    H    ILE  10           H        ILE  10  -3.866   0.438   5.972
   70    HA   ILE  10           HA       ILE  10  -1.209  -0.480   5.952
   71    HB   ILE  10           HB       ILE  10  -3.611  -0.818   4.144
   72   1HG1  ILE  10          1HG1      ILE  10  -2.018  -2.847   5.768
   73   2HG1  ILE  10          2HG1      ILE  10  -3.303  -1.896   6.482
   74   1HG2  ILE  10          2HG2      ILE  10  -0.838  -1.921   3.661
   75   2HG2  ILE  10          3HG2      ILE  10  -2.293  -2.696   2.997
   76   3HG2  ILE  10          1HG2      ILE  10  -1.888  -1.058   2.522
   77   1HD1  ILE  10          3HD1      ILE  10  -3.715  -3.805   4.142
   78   2HD1  ILE  10          1HD1      ILE  10  -4.098  -4.125   5.821
   79   3HD1  ILE  10          2HD1      ILE  10  -4.965  -2.850   4.952
   80    H    ILE  11           H        ILE  11  -2.845   1.555   3.450
   81    HA   ILE  11           HA       ILE  11  -0.522   2.001   1.927
   82    HB   ILE  11           HB       ILE  11  -3.193   3.202   2.001
   83   1HG1  ILE  11          1HG1      ILE  11  -1.473   2.076  -0.264
   84   2HG1  ILE  11          2HG1      ILE  11  -2.187   0.971   0.914
   85   1HG2  ILE  11          1HG2      ILE  11  -0.884   4.374   0.383
   86   2HG2  ILE  11          2HG2      ILE  11  -2.611   4.711   0.143
   87   3HG2  ILE  11          3HG2      ILE  11  -1.816   5.220   1.624
   88   1HD1  ILE  11          2HD1      ILE  11  -3.732   2.931  -0.722
   89   2HD1  ILE  11          3HD1      ILE  11  -3.543   1.170  -1.024
   90   3HD1  ILE  11          1HD1      ILE  11  -4.365   1.747   0.462
   91    H    GLN  12           H        GLN  12  -1.954   4.040   4.590
   92    HA   GLN  12           HA       GLN  12  -0.035   6.102   4.241
   93   1HB   GLN  12          1HB       GLN  12  -1.708   5.299   6.641
   94   2HB   GLN  12          2HB       GLN  12  -0.646   6.712   6.628
   95   1HG   GLN  12          1HG       GLN  12  -2.266   6.669   4.176
   96   2HG   GLN  12          2HG       GLN  12  -3.286   6.539   5.604
   97   1HE2  GLN  12          2HE2      GLN  12  -1.055   9.986   5.044
   98   2HE2  GLN  12          1HE2      GLN  12  -0.701   8.595   4.070
   99    H    LYS  13           H        LYS  13   0.204   3.115   6.334
  100    HA   LYS  13           HA       LYS  13   2.717   4.023   7.392
  101   1HB   LYS  13          1HB       LYS  13   1.268   2.139   8.348
  102   2HB   LYS  13          2HB       LYS  13   1.718   1.160   6.956
  103   1HG   LYS  13          1HG       LYS  13   3.076   0.418   8.741
  104   2HG   LYS  13          2HG       LYS  13   4.144   1.313   7.703
  105   1HD   LYS  13          1HD       LYS  13   3.040   3.138   9.707
  106   2HD   LYS  13          2HD       LYS  13   3.568   1.663  10.504
  107   1HE   LYS  13          1HE       LYS  13   5.432   3.136  10.549
  108   2HE   LYS  13          2HE       LYS  13   5.814   1.913   9.316
  109   1HZ   LYS  13          1HZ       LYS  13   5.127   3.573   7.628
  110   2HZ   LYS  13          2HZ       LYS  13   4.797   4.660   8.843
  111   3HZ   LYS  13          3HZ       LYS  13   6.266   4.260   8.593
  112    H    LEU  14           H        LEU  14   1.834   2.514   4.351
  113    HA   LEU  14           HA       LEU  14   4.469   1.613   3.573
  114   1HB   LEU  14          1HB       LEU  14   2.040   1.001   2.699
  115   2HB   LEU  14          2HB       LEU  14   2.221   2.436   1.715
  116    HG   LEU  14           HG       LEU  14   3.831  -0.101   1.598
  117   1HD1  LEU  14          2HD1      LEU  14   1.903   1.366  -0.241
  118   2HD1  LEU  14          3HD1      LEU  14   2.809  -0.037  -0.746
  119   3HD1  LEU  14          1HD1      LEU  14   1.643  -0.180   0.586
  120   1HD2  LEU  14          1HD2      LEU  14   4.443   2.457   0.093
  121   2HD2  LEU  14          2HD2      LEU  14   5.515   1.544   1.175
  122   3HD2  LEU  14          3HD2      LEU  14   5.037   0.844  -0.364
  123    H    GLU  15           H        GLU  15   2.436   4.422   2.806
  124    HA   GLU  15           HA       GLU  15   4.127   5.902   1.148
  125   1HB   GLU  15          1HB       GLU  15   1.656   6.081   1.526
  126   2HB   GLU  15          2HB       GLU  15   1.946   6.665   3.160
  127   1HG   GLU  15          1HG       GLU  15   2.900   8.747   2.251
  128   2HG   GLU  15          2HG       GLU  15   2.664   8.129   0.605
  129    H    ASP  16           H        ASP  16   3.606   6.209   4.702
  130    HA   ASP  16           HA       ASP  16   5.695   8.007   5.300
  131   1HB   ASP  16          1HB       ASP  16   3.940   7.551   6.840
  132   2HB   ASP  16          2HB       ASP  16   4.130   5.816   6.662
  133    H    MET  17           H        MET  17   5.858   4.419   4.987
  134    HA   MET  17           HA       MET  17   8.610   4.331   5.883
  135   1HB   MET  17          1HB       MET  17   6.827   2.327   4.468
  136   2HB   MET  17          2HB       MET  17   8.567   2.051   4.607
  137   1HG   MET  17          1HG       MET  17   8.500   2.127   6.991
  138   2HG   MET  17          2HG       MET  17   6.823   2.631   6.994
  139   1HE   MET  17          1HE       MET  17   8.948  -0.323   5.320
  140   2HE   MET  17          2HE       MET  17   7.703  -1.597   5.280
  141   3HE   MET  17          3HE       MET  17   7.492  -0.129   4.319
  142    H    VAL  18           H        VAL  18   7.189   4.184   2.533
  143    HA   VAL  18           HA       VAL  18   9.835   3.805   1.440
  144    HB   VAL  18           HB       VAL  18   7.565   3.076   0.481
  145   1HG1  VAL  18          2HG1      VAL  18   6.469   5.283   0.422
  146   2HG1  VAL  18          3HG1      VAL  18   7.631   5.795  -0.816
  147   3HG1  VAL  18          1HG1      VAL  18   6.522   4.467  -1.161
  148   1HG2  VAL  18          1HG2      VAL  18   9.821   4.127  -1.206
  149   2HG2  VAL  18          2HG2      VAL  18   9.545   2.496  -0.576
  150   3HG2  VAL  18          3HG2      VAL  18   8.480   3.126  -1.834
  151    H    GLY  19           H        GLY  19   7.823   6.615   2.218
  152   1HA   GLY  19          1HA       GLY  19   8.481   8.756   2.546
  153   2HA   GLY  19          2HA       GLY  19  10.105   8.378   1.940
  154    HA   PRO  20           HA       PRO  20   7.740  10.816  -1.259
  155   1HB   PRO  20          1HB       PRO  20   9.612  12.709  -1.856
  156   2HB   PRO  20          2HB       PRO  20   8.614  12.802  -0.372
  157   1HG   PRO  20          1HG       PRO  20  11.427  11.693  -0.675
  158   2HG   PRO  20          2HG       PRO  20  10.831  12.875   0.537
  159   1HD   PRO  20          1HD       PRO  20  11.018  10.192   1.034
  160   2HD   PRO  20          2HD       PRO  20   9.694  11.204   1.739
  161    H    GLN  21           H        GLN  21   8.279  11.267  -3.366
  162    HA   GLN  21           HA       GLN  21   8.327   9.991  -5.410
  163   1HB   GLN  21          1HB       GLN  21  10.931  11.506  -5.023
  164   2HB   GLN  21          2HB       GLN  21  10.369  10.859  -6.566
  165   1HG   GLN  21          1HG       GLN  21   9.740  13.115  -6.605
  166   2HG   GLN  21          2HG       GLN  21   8.256  12.214  -6.329
  167   1HE2  GLN  21          2HE2      GLN  21   9.627  14.835  -3.485
  168   2HE2  GLN  21          1HE2      GLN  21  10.653  14.412  -4.846
  169    HA   PRO  22           HA       PRO  22  10.910   6.344  -4.192
  170   1HB   PRO  22          1HB       PRO  22   9.085   4.438  -3.855
  171   2HB   PRO  22          2HB       PRO  22   9.295   5.750  -2.656
  172   1HG   PRO  22          1HG       PRO  22   7.260   5.664  -4.909
  173   2HG   PRO  22          2HG       PRO  22   6.956   5.893  -3.151
  174   1HD   PRO  22          1HD       PRO  22   7.248   8.017  -4.849
  175   2HD   PRO  22          2HD       PRO  22   7.849   8.053  -3.162
  176    H    ASN  23           H        ASN  23  10.649   3.967  -5.418
  177    HA   ASN  23           HA       ASN  23   9.844   4.346  -8.243
  178   1HB   ASN  23          1HB       ASN  23  11.913   3.400  -9.033
  179   2HB   ASN  23          2HB       ASN  23  12.297   4.783  -8.008
  180   1HD2  ASN  23          2HD2      ASN  23  13.953   1.286  -7.021
  181   2HD2  ASN  23          1HD2      ASN  23  13.311   1.594  -8.619
  182    H    GLU  24           H        GLU  24   9.550   2.350  -9.331
  183    HA   GLU  24           HA       GLU  24   7.711   0.676  -8.361
  184   1HB   GLU  24          1HB       GLU  24   8.324   0.991 -10.697
  185   2HB   GLU  24          2HB       GLU  24   9.866   0.229 -10.426
  186   1HG   GLU  24          1HG       GLU  24   8.806  -1.493 -11.466
  187   2HG   GLU  24          2HG       GLU  24   8.348  -1.921  -9.827
  188    H    ASP  25           H        ASP  25  11.249  -0.119  -8.074
  189    HA   ASP  25           HA       ASP  25  10.650  -2.747  -6.965
  190   1HB   ASP  25          1HB       ASP  25  12.815  -2.472  -8.009
  191   2HB   ASP  25          2HB       ASP  25  13.237  -1.159  -6.888
  192    H    THR  26           H        THR  26  12.015   0.283  -5.493
  193    HA   THR  26           HA       THR  26  11.979  -0.598  -2.921
  194    HB   THR  26           HB       THR  26  11.432   2.278  -3.776
  195    HG1  THR  26           HG1      THR  26  13.330   2.236  -4.632
  196   1HG2  THR  26          1HG2      THR  26  11.488   1.796  -1.283
  197   2HG2  THR  26          2HG2      THR  26  13.117   1.138  -1.486
  198   3HG2  THR  26          3HG2      THR  26  12.801   2.855  -1.823
  199    H    VAL  27           H        VAL  27   9.242   0.792  -4.740
  200    HA   VAL  27           HA       VAL  27   7.475   0.824  -2.435
  201    HB   VAL  27           HB       VAL  27   6.673   0.651  -5.374
  202   1HG1  VAL  27          3HG1      VAL  27   5.190   1.396  -2.803
  203   2HG1  VAL  27          1HG1      VAL  27   4.586   1.771  -4.418
  204   3HG1  VAL  27          2HG1      VAL  27   4.798   0.079  -3.933
  205   1HG2  VAL  27          2HG2      VAL  27   8.023   2.706  -4.931
  206   2HG2  VAL  27          3HG2      VAL  27   6.342   3.082  -5.261
  207   3HG2  VAL  27          1HG2      VAL  27   6.952   3.111  -3.587
  208    H    THR  28           H        THR  28   8.172  -1.658  -4.991
  209    HA   THR  28           HA       THR  28   6.213  -3.537  -4.175
  210    HB   THR  28           HB       THR  28   8.864  -3.794  -5.650
  211    HG1  THR  28           HG1      THR  28   7.522  -2.757  -6.886
  212   1HG2  THR  28          3HG2      THR  28   6.729  -5.928  -5.257
  213   2HG2  THR  28          1HG2      THR  28   8.015  -5.963  -6.485
  214   3HG2  THR  28          2HG2      THR  28   8.436  -6.003  -4.772
  215    H    GLN  29           H        GLN  29   9.708  -3.252  -3.203
  216    HA   GLN  29           HA       GLN  29   9.454  -5.426  -1.328
  217   1HB   GLN  29          1HB       GLN  29  11.614  -4.681  -0.427
  218   2HB   GLN  29          2HB       GLN  29  11.612  -5.032  -2.153
  219   1HG   GLN  29          1HG       GLN  29  11.861  -2.780  -2.752
  220   2HG   GLN  29          2HG       GLN  29  11.470  -2.188  -1.126
  221   1HE2  GLN  29          2HE2      GLN  29  15.304  -2.950  -2.007
  222   2HE2  GLN  29          1HE2      GLN  29  14.068  -2.889  -3.247
  223    H    ALA  30           H        ALA  30   9.427  -1.822  -0.854
  224    HA   ALA  30           HA       ALA  30   9.171  -1.940   1.935
  225   1HB   ALA  30          1HB       ALA  30   9.737   0.142   0.733
  226   2HB   ALA  30          2HB       ALA  30   8.079   0.216   0.079
  227   3HB   ALA  30          3HB       ALA  30   8.359   0.373   1.821
  228    H    ALA  31           H        ALA  31   6.637  -2.199  -0.574
  229    HA   ALA  31           HA       ALA  31   4.449  -2.113   1.353
  230   1HB   ALA  31          3HB       ALA  31   4.314  -1.451  -1.122
  231   2HB   ALA  31          1HB       ALA  31   4.489  -3.147  -1.552
  232   3HB   ALA  31          2HB       ALA  31   3.068  -2.623  -0.624
  233    H    SER  32           H        SER  32   6.033  -4.812  -0.550
  234    HA   SER  32           HA       SER  32   4.247  -6.807   0.555
  235   1HB   SER  32          1HB       SER  32   6.085  -8.421  -0.082
  236   2HB   SER  32          2HB       SER  32   5.525  -7.380  -1.405
  237    HG   SER  32           HG       SER  32   7.355  -6.168  -1.258
  238    H    GLN  33           H        GLN  33   7.170  -5.312   1.790
  239    HA   GLN  33           HA       GLN  33   6.871  -6.780   4.279
  240   1HB   GLN  33          1HB       GLN  33   9.014  -4.845   3.415
  241   2HB   GLN  33          2HB       GLN  33   8.978  -5.744   4.939
  242   1HG   GLN  33          1HG       GLN  33   9.109  -6.951   2.131
  243   2HG   GLN  33          2HG       GLN  33  10.389  -6.938   3.330
  244   1HE2  GLN  33          2HE2      GLN  33   8.989  -9.646   5.273
  245   2HE2  GLN  33          1HE2      GLN  33  10.113  -8.308   5.297
  246    H    VAL  34           H        VAL  34   5.702  -3.652   3.149
  247    HA   VAL  34           HA       VAL  34   5.428  -2.373   5.612
  248    HB   VAL  34           HB       VAL  34   4.595  -1.492   3.338
  249   1HG1  VAL  34          1HG1      VAL  34   2.631  -3.135   2.935
  250   2HG1  VAL  34          2HG1      VAL  34   1.845  -2.293   4.246
  251   3HG1  VAL  34          3HG1      VAL  34   2.314  -1.422   2.789
  252   1HG2  VAL  34          1HG2      VAL  34   3.335  -0.977   5.974
  253   2HG2  VAL  34          2HG2      VAL  34   4.653  -0.112   5.108
  254   3HG2  VAL  34          3HG2      VAL  34   2.983  -0.019   4.523
  255    H    CYS  35           H        CYS  35   3.504  -4.783   3.954
  256    HA   CYS  35           HA       CYS  35   1.453  -5.244   5.851
  257   1HB   CYS  35          1HB       CYS  35   2.771  -7.094   3.794
  258   2HB   CYS  35          2HB       CYS  35   1.183  -7.339   4.528
  259    H    ASP  36           H        ASP  36   4.500  -6.973   5.128
  260    HA   ASP  36           HA       ASP  36   4.246  -9.080   6.954
  261   1HB   ASP  36          1HB       ASP  36   5.936  -8.575   5.074
  262   2HB   ASP  36          2HB       ASP  36   6.865  -7.709   6.305
  263    H    LYS  37           H        LYS  37   5.604  -5.847   7.403
  264    HA   LYS  37           HA       LYS  37   6.382  -6.069  10.138
  265   1HB   LYS  37          1HB       LYS  37   7.297  -4.580   8.282
  266   2HB   LYS  37          2HB       LYS  37   5.850  -3.578   8.447
  267   1HG   LYS  37          1HG       LYS  37   6.551  -3.214  10.879
  268   2HG   LYS  37          2HG       LYS  37   8.068  -4.039  10.488
  269   1HD   LYS  37          1HD       LYS  37   6.974  -1.501   9.200
  270   2HD   LYS  37          2HD       LYS  37   8.269  -1.554  10.383
  271   1HE   LYS  37          1HE       LYS  37   8.416  -2.839   7.611
  272   2HE   LYS  37          2HE       LYS  37   8.966  -1.205   7.974
  273   1HZ   LYS  37          3HZ       LYS  37  10.579  -2.111   9.505
  274   2HZ   LYS  37          1HZ       LYS  37  10.087  -3.654   9.186
  275   3HZ   LYS  37          2HZ       LYS  37  10.785  -2.741   8.012
  276    H    LEU  38           H        LEU  38   3.424  -4.818   8.549
  277    HA   LEU  38           HA       LEU  38   2.309  -3.604  10.946
  278   1HB   LEU  38          1HB       LEU  38   1.219  -4.424   8.228
  279   2HB   LEU  38          2HB       LEU  38   0.139  -3.856   9.482
  280    HG   LEU  38           HG       LEU  38   2.459  -2.132   8.546
  281   1HD1  LEU  38          2HD1      LEU  38   1.054  -2.743   6.587
  282   2HD1  LEU  38          3HD1      LEU  38  -0.397  -2.212   7.464
  283   3HD1  LEU  38          1HD1      LEU  38   0.866  -1.041   7.011
  284   1HD2  LEU  38          3HD2      LEU  38  -0.209  -1.512   9.901
  285   2HD2  LEU  38          1HD2      LEU  38   1.407  -1.414  10.647
  286   3HD2  LEU  38          2HD2      LEU  38   0.954  -0.305   9.345
  287    H    LYS  39           H        LYS  39   2.355  -5.216  12.581
  288    HA   LYS  39           HA       LYS  39   1.363  -7.863  11.999
  289   1HB   LYS  39          1HB       LYS  39   1.596  -8.345  14.387
  290   2HB   LYS  39          2HB       LYS  39   3.046  -7.629  13.698
  291   1HG   LYS  39          1HG       LYS  39   2.628  -5.506  14.800
  292   2HG   LYS  39          2HG       LYS  39   1.020  -6.040  15.336
  293   1HD   LYS  39          1HD       LYS  39   2.010  -7.804  16.710
  294   2HD   LYS  39          2HD       LYS  39   3.636  -7.393  16.173
  295   1HE   LYS  39          1HE       LYS  39   1.834  -5.401  17.623
  296   2HE   LYS  39          2HE       LYS  39   2.817  -6.578  18.496
  297   1HZ   LYS  39          3HZ       LYS  39   3.912  -4.541  16.657
  298   2HZ   LYS  39          1HZ       LYS  39   3.951  -4.484  18.300
  299   3HZ   LYS  39          2HZ       LYS  39   4.787  -5.647  17.513
  300    H    ILE  40           H        ILE  40  -0.477  -8.883  13.203
  301    HA   ILE  40           HA       ILE  40  -2.659  -9.144  13.631
  302    HB   ILE  40           HB       ILE  40  -2.948  -6.127  13.971
  303   1HG1  ILE  40          1HG1      ILE  40  -1.464  -6.939  15.698
  304   2HG1  ILE  40          2HG1      ILE  40  -3.035  -6.556  16.377
  305   1HG2  ILE  40          3HG2      ILE  40  -4.903  -8.363  14.575
  306   2HG2  ILE  40          1HG2      ILE  40  -5.078  -6.668  15.077
  307   3HG2  ILE  40          2HG2      ILE  40  -5.069  -7.079  13.366
  308   1HD1  ILE  40          2HD1      ILE  40  -3.602  -8.997  16.419
  309   2HD1  ILE  40          3HD1      ILE  40  -1.974  -9.358  15.795
  310   3HD1  ILE  40          1HD1      ILE  40  -2.171  -8.597  17.380
  311    H    LEU  41           H        LEU  41  -2.343  -6.119  11.704
  312    HA   LEU  41           HA       LEU  41  -4.378  -7.079   9.866
  313   1HB   LEU  41          1HB       LEU  41  -3.971  -4.695  10.806
  314   2HB   LEU  41          2HB       LEU  41  -2.669  -4.582   9.622
  315    HG   LEU  41           HG       LEU  41  -4.349  -4.921   7.803
  316   1HD1  LEU  41          3HD1      LEU  41  -6.383  -4.895  10.076
  317   2HD1  LEU  41          1HD1      LEU  41  -6.787  -4.701   8.368
  318   3HD1  LEU  41          2HD1      LEU  41  -6.099  -6.218   8.926
  319   1HD2  LEU  41          3HD2      LEU  41  -3.708  -2.649   8.680
  320   2HD2  LEU  41          1HD2      LEU  41  -5.314  -2.711   7.949
  321   3HD2  LEU  41          2HD2      LEU  41  -5.152  -2.694   9.717
  322    H    ARG  42           H        ARG  42  -1.461  -8.132  10.084
  323    HA   ARG  42           HA       ARG  42   0.055  -7.731   7.806
  324   1HB   ARG  42          1HB       ARG  42   0.850  -8.854   9.831
  325   2HB   ARG  42          2HB       ARG  42  -0.268 -10.188   9.596
  326   1HG   ARG  42          1HG       ARG  42   0.991 -10.925   7.609
  327   2HG   ARG  42          2HG       ARG  42   2.098  -9.547   7.781
  328   1HD   ARG  42          1HD       ARG  42   2.850 -10.361   9.966
  329   2HD   ARG  42          2HD       ARG  42   1.641 -11.643   9.954
  330    HE   ARG  42           HE       ARG  42   2.815 -12.817   8.274
  331   1HH1  ARG  42          2HH2      ARG  42   4.764 -10.036   9.525
  332   2HH1  ARG  42          1HH2      ARG  42   6.202 -10.644   8.837
  333   1HH2  ARG  42          2HH1      ARG  42   4.886 -13.547   7.384
  334   2HH2  ARG  42          1HH1      ARG  42   6.167 -12.384   7.434
  335    H    GLY  43           H        GLY  43  -2.351 -10.355   8.370
  336   1HA   GLY  43          1HA       GLY  43  -2.036 -11.619   5.855
  337   2HA   GLY  43          2HA       GLY  43  -3.465 -11.735   6.895
  338    H    LEU  44           H        LEU  44  -4.132  -8.851   6.814
  339    HA   LEU  44           HA       LEU  44  -5.820  -9.015   4.505
  340   1HB   LEU  44          1HB       LEU  44  -6.286  -7.955   6.811
  341   2HB   LEU  44          2HB       LEU  44  -5.321  -6.587   6.292
  342    HG   LEU  44           HG       LEU  44  -7.726  -6.215   6.147
  343   1HD1  LEU  44          1HD1      LEU  44  -6.237  -5.021   4.561
  344   2HD1  LEU  44          2HD1      LEU  44  -6.582  -6.273   3.342
  345   3HD1  LEU  44          3HD1      LEU  44  -7.886  -5.247   3.959
  346   1HD2  LEU  44          3HD2      LEU  44  -8.437  -8.542   5.639
  347   2HD2  LEU  44          1HD2      LEU  44  -9.169  -7.335   4.575
  348   3HD2  LEU  44          2HD2      LEU  44  -7.848  -8.341   3.969
  349    H    CYS  45           H        CYS  45  -3.161  -6.719   5.450
  350    HA   CYS  45           HA       CYS  45  -2.741  -5.508   3.043
  351   1HB   CYS  45          1HB       CYS  45  -1.823  -5.015   5.312
  352   2HB   CYS  45          2HB       CYS  45  -0.715  -6.355   5.141
  353    H    LYS  46           H        LYS  46  -1.010  -8.552   4.125
  354    HA   LYS  46           HA       LYS  46   0.488  -8.724   1.705
  355   1HB   LYS  46          1HB       LYS  46  -0.402 -11.064   3.422
  356   2HB   LYS  46          2HB       LYS  46   0.787 -11.162   2.139
  357   1HG   LYS  46          1HG       LYS  46   1.146  -9.532   4.664
  358   2HG   LYS  46          2HG       LYS  46   1.668 -11.181   4.503
  359   1HD   LYS  46          1HD       LYS  46   2.792  -9.043   2.672
  360   2HD   LYS  46          2HD       LYS  46   3.328  -9.229   4.340
  361   1HE   LYS  46          1HE       LYS  46   3.764 -11.744   3.652
  362   2HE   LYS  46          2HE       LYS  46   3.808 -11.059   2.019
  363   1HZ   LYS  46          1HZ       LYS  46   5.521  -9.428   3.065
  364   2HZ   LYS  46          2HZ       LYS  46   5.635 -10.508   4.296
  365   3HZ   LYS  46          3HZ       LYS  46   6.023 -10.951   2.795
  366    H    LYS  47           H        LYS  47  -2.857  -9.920   2.398
  367    HA   LYS  47           HA       LYS  47  -3.120 -11.199  -0.153
  368   1HB   LYS  47          1HB       LYS  47  -4.623 -11.643   1.784
  369   2HB   LYS  47          2HB       LYS  47  -5.351 -10.040   1.576
  370   1HG   LYS  47          1HG       LYS  47  -6.132 -10.646  -0.676
  371   2HG   LYS  47          2HG       LYS  47  -5.259 -12.184  -0.600
  372   1HD   LYS  47          1HD       LYS  47  -6.733 -12.936   1.244
  373   2HD   LYS  47          2HD       LYS  47  -7.620 -11.394   1.159
  374   1HE   LYS  47          1HE       LYS  47  -8.230 -11.865  -1.201
  375   2HE   LYS  47          2HE       LYS  47  -7.309 -13.370  -1.156
  376   1HZ   LYS  47          3HZ       LYS  47  -9.720 -12.807   0.466
  377   2HZ   LYS  47          1HZ       LYS  47  -9.656 -13.764  -0.863
  378   3HZ   LYS  47          2HZ       LYS  47  -8.859 -14.212   0.496
  379    H    ILE  48           H        ILE  48  -3.939  -7.811   0.887
  380    HA   ILE  48           HA       ILE  48  -5.032  -7.001  -1.619
  381    HB   ILE  48           HB       ILE  48  -3.623  -5.433   0.577
  382   1HG1  ILE  48          1HG1      ILE  48  -6.528  -5.527  -0.380
  383   2HG1  ILE  48          2HG1      ILE  48  -5.899  -6.393   1.017
  384   1HG2  ILE  48          2HG2      ILE  48  -3.224  -4.229  -1.588
  385   2HG2  ILE  48          3HG2      ILE  48  -4.972  -4.241  -1.897
  386   3HG2  ILE  48          1HG2      ILE  48  -4.282  -3.338  -0.532
  387   1HD1  ILE  48          3HD1      ILE  48  -5.324  -4.215   2.101
  388   2HD1  ILE  48          1HD1      ILE  48  -6.075  -3.359   0.733
  389   3HD1  ILE  48          2HD1      ILE  48  -7.060  -4.396   1.753
  390    H    MET  49           H        MET  49  -1.633  -6.722  -0.398
  391    HA   MET  49           HA       MET  49  -0.531  -5.765  -2.793
  392   1HB   MET  49          1HB       MET  49   0.561  -7.269  -0.409
  393   2HB   MET  49          2HB       MET  49   1.597  -6.905  -1.786
  394   1HG   MET  49          1HG       MET  49   1.709  -5.194   0.009
  395   2HG   MET  49          2HG       MET  49   1.279  -4.568  -1.578
  396   1HE   MET  49          1HE       MET  49   0.819  -2.322  -0.442
  397   2HE   MET  49          2HE       MET  49  -0.442  -2.012   0.772
  398   3HE   MET  49          3HE       MET  49   1.027  -2.913   1.217
  399    H    ARG  50           H        ARG  50  -0.971  -9.283  -1.847
  400    HA   ARG  50           HA       ARG  50   0.250 -10.211  -4.244
  401   1HB   ARG  50          1HB       ARG  50  -0.473 -11.570  -2.212
  402   2HB   ARG  50          2HB       ARG  50  -2.107 -11.588  -2.854
  403   1HG   ARG  50          1HG       ARG  50   0.239 -12.496  -4.567
  404   2HG   ARG  50          2HG       ARG  50  -0.415 -13.572  -3.341
  405   1HD   ARG  50          1HD       ARG  50  -2.518 -13.767  -4.388
  406   2HD   ARG  50          2HD       ARG  50  -2.268 -12.393  -5.441
  407    HE   ARG  50           HE       ARG  50  -1.242 -15.110  -5.760
  408   1HH1  ARG  50          2HH2      ARG  50  -1.034 -11.742  -6.994
  409   2HH1  ARG  50          1HH2      ARG  50  -0.391 -12.215  -8.513
  410   1HH2  ARG  50          2HH1      ARG  50  -0.385 -15.707  -7.824
  411   2HH2  ARG  50          1HH1      ARG  50  -0.011 -14.505  -8.987
  412    H    SER  51           H        SER  51  -3.088  -9.235  -3.606
  413    HA   SER  51           HA       SER  51  -4.074 -10.083  -6.190
  414   1HB   SER  51          1HB       SER  51  -5.275  -9.933  -3.913
  415   2HB   SER  51          2HB       SER  51  -5.428  -8.200  -4.226
  416    HG   SER  51           HG       SER  51  -6.517  -8.811  -6.198
  417    H    PHE  52           H        PHE  52  -2.768  -6.997  -5.003
  418    HA   PHE  52           HA       PHE  52  -3.326  -5.730  -7.655
  419   1HB   PHE  52          1HB       PHE  52  -3.725  -4.511  -4.883
  420   2HB   PHE  52          2HB       PHE  52  -4.036  -3.711  -6.403
  421    HD1  PHE  52           HD1      PHE  52  -5.927  -4.577  -7.925
  422    HD2  PHE  52           HD2      PHE  52  -5.472  -5.664  -3.776
  423    HE1  PHE  52           HE1      PHE  52  -8.351  -5.084  -7.783
  424    HE2  PHE  52           HE2      PHE  52  -7.899  -6.187  -3.653
  425    HZ   PHE  52           HZ       PHE  52  -9.339  -5.877  -5.657
  426    H    LEU  53           H        LEU  53  -0.717  -6.860  -6.637
  427    HA   LEU  53           HA       LEU  53   0.810  -5.060  -5.299
  428   1HB   LEU  53          1HB       LEU  53   1.366  -7.477  -6.218
  429   2HB   LEU  53          2HB       LEU  53   1.975  -6.656  -7.603
  430    HG   LEU  53           HG       LEU  53   3.855  -7.052  -6.272
  431   1HD1  LEU  53          1HD1      LEU  53   3.868  -4.637  -6.943
  432   2HD1  LEU  53          2HD1      LEU  53   3.178  -4.226  -5.342
  433   3HD1  LEU  53          3HD1      LEU  53   4.763  -4.962  -5.468
  434   1HD2  LEU  53          2HD2      LEU  53   2.650  -7.725  -4.237
  435   2HD2  LEU  53          3HD2      LEU  53   4.014  -6.657  -3.867
  436   3HD2  LEU  53          1HD2      LEU  53   2.356  -6.013  -3.841
  437    H    ARG  54           H        ARG  54   1.014  -5.268  -8.935
  438    HA   ARG  54           HA       ARG  54   2.615  -2.914  -8.916
  439   1HB   ARG  54          1HB       ARG  54   2.539  -4.799 -10.623
  440   2HB   ARG  54          2HB       ARG  54   1.172  -3.967 -11.373
  441   1HG   ARG  54          1HG       ARG  54   3.778  -2.535 -10.797
  442   2HG   ARG  54          2HG       ARG  54   3.678  -3.610 -12.164
  443   1HD   ARG  54          1HD       ARG  54   2.316  -2.233 -13.406
  444   2HD   ARG  54          2HD       ARG  54   1.701  -1.351 -12.013
  445    HE   ARG  54           HE       ARG  54   4.554  -1.191 -12.974
  446   1HH1  ARG  54          2HH2      ARG  54   2.093   0.171 -10.950
  447   2HH1  ARG  54          1HH2      ARG  54   2.933   1.678 -10.734
  448   1HH2  ARG  54          2HH1      ARG  54   5.647   0.548 -12.572
  449   2HH2  ARG  54          1HH1      ARG  54   5.055   1.987 -11.811
  450    H    ARG  55           H        ARG  55  -0.870  -3.145  -8.527
  451    HA   ARG  55           HA       ARG  55  -1.414  -0.540  -9.631
  452   1HB   ARG  55          1HB       ARG  55  -2.948  -2.493  -7.894
  453   2HB   ARG  55          2HB       ARG  55  -3.452  -0.856  -7.991
  454   1HG   ARG  55          1HG       ARG  55  -3.309  -2.787 -10.301
  455   2HG   ARG  55          2HG       ARG  55  -4.756  -2.461  -9.395
  456   1HD   ARG  55          1HD       ARG  55  -3.406  -0.198 -10.892
  457   2HD   ARG  55          2HD       ARG  55  -4.335  -1.416 -11.757
  458    HE   ARG  55           HE       ARG  55  -5.898  -0.317  -9.594
  459   1HH1  ARG  55          2HH2      ARG  55  -4.932   0.233 -12.961
  460   2HH1  ARG  55          1HH2      ARG  55  -6.155   1.413 -13.255
  461   1HH2  ARG  55          2HH1      ARG  55  -7.486   1.573 -10.002
  462   2HH2  ARG  55          1HH1      ARG  55  -7.635   2.050 -11.572
  463    H    ILE  56           H        ILE  56  -0.897  -2.057  -6.296
  464    HA   ILE  56           HA       ILE  56  -1.048   0.446  -4.977
  465    HB   ILE  56           HB       ILE  56   0.557  -1.920  -3.993
  466   1HG1  ILE  56          1HG1      ILE  56  -1.565  -2.877  -4.224
  467   2HG1  ILE  56          2HG1      ILE  56  -1.582  -2.296  -2.589
  468   1HG2  ILE  56          2HG2      ILE  56  -0.670   0.528  -2.634
  469   2HG2  ILE  56          3HG2      ILE  56  -0.054  -0.875  -1.754
  470   3HG2  ILE  56          1HG2      ILE  56   1.046   0.092  -2.728
  471   1HD1  ILE  56          2HD1      ILE  56  -2.849  -0.232  -3.430
  472   2HD1  ILE  56          3HD1      ILE  56  -2.993  -1.064  -4.993
  473   3HD1  ILE  56          1HD1      ILE  56  -3.706  -1.788  -3.552
  474    H    SER  57           H        SER  57   1.638  -1.028  -6.780
  475    HA   SER  57           HA       SER  57   3.582   0.867  -5.962
  476   1HB   SER  57          1HB       SER  57   4.156  -1.210  -7.149
  477   2HB   SER  57          2HB       SER  57   3.333  -0.616  -8.606
  478    HG   SER  57           HG       SER  57   5.450  -0.180  -8.850
  479    H    TRP  58           H        TRP  58   1.430   0.935  -8.891
  480    HA   TRP  58           HA       TRP  58   2.128   3.547  -9.787
  481   1HB   TRP  58          1HB       TRP  58   0.803   2.741 -11.400
  482   2HB   TRP  58          2HB       TRP  58  -0.037   1.647 -10.318
  483    HD1  TRP  58           HD1      TRP  58  -0.231   5.368 -11.411
  484    HE1  TRP  58           HE1      TRP  58  -2.631   6.173 -11.171
  485    HE3  TRP  58           HE3      TRP  58  -2.239   1.234  -9.231
  486    HZ2  TRP  58           HZ2      TRP  58  -5.195   5.064 -10.147
  487    HZ3  TRP  58           HZ3      TRP  58  -4.526   1.172  -8.466
  488    HH2  TRP  58           HH2      TRP  58  -6.000   3.004  -8.864
  489    H    ASP  59           H        ASP  59  -0.327   2.579  -7.431
  490    HA   ASP  59           HA       ASP  59  -1.494   5.074  -6.933
  491   1HB   ASP  59          1HB       ASP  59  -1.005   2.651  -5.154
  492   2HB   ASP  59          2HB       ASP  59  -1.821   4.066  -4.558
  493    HD2  ASP  59           HD2      ASP  59  -4.137   1.708  -6.495
  494    H    ILE  60           H        ILE  60   1.252   3.612  -5.100
  495    HA   ILE  60           HA       ILE  60   1.800   5.995  -3.596
  496    HB   ILE  60           HB       ILE  60   3.055   3.313  -4.001
  497   1HG1  ILE  60          1HG1      ILE  60   2.858   3.130  -1.595
  498   2HG1  ILE  60          2HG1      ILE  60   2.391   4.818  -1.439
  499   1HG2  ILE  60          2HG2      ILE  60   4.469   5.583  -2.555
  500   2HG2  ILE  60          3HG2      ILE  60   4.910   3.859  -2.506
  501   3HG2  ILE  60          1HG2      ILE  60   5.022   4.747  -4.024
  502   1HD1  ILE  60          2HD1      ILE  60   0.705   2.680  -2.790
  503   2HD1  ILE  60          3HD1      ILE  60   0.522   3.242  -1.123
  504   3HD1  ILE  60          1HD1      ILE  60   0.223   4.364  -2.459
  505    H    LEU  61           H        LEU  61   3.213   4.685  -6.648
  506    HA   LEU  61           HA       LEU  61   5.272   6.608  -6.910
  507   1HB   LEU  61          1HB       LEU  61   3.644   5.170  -9.037
  508   2HB   LEU  61          2HB       LEU  61   5.055   6.145  -9.401
  509    HG   LEU  61           HG       LEU  61   5.230   3.733  -7.557
  510   1HD1  LEU  61          3HD1      LEU  61   5.658   3.873 -10.575
  511   2HD1  LEU  61          1HD1      LEU  61   6.050   2.481  -9.531
  512   3HD1  LEU  61          2HD1      LEU  61   4.368   2.977  -9.723
  513   1HD2  LEU  61          2HD2      LEU  61   7.142   5.306  -7.457
  514   2HD2  LEU  61          3HD2      LEU  61   7.562   3.725  -8.108
  515   3HD2  LEU  61          1HD2      LEU  61   7.382   5.113  -9.205
  516    H    THR  62           H        THR  62   1.825   6.844  -7.751
  517    HA   THR  62           HA       THR  62   2.180   9.549  -8.885
  518    HB   THR  62           HB       THR  62  -0.325   9.416  -9.180
  519    HG1  THR  62           HG1      THR  62   0.092   6.694  -8.479
  520   1HG2  THR  62          3HG2      THR  62   1.255   8.890 -10.992
  521   2HG2  THR  62          1HG2      THR  62   1.311   7.194 -10.473
  522   3HG2  THR  62          2HG2      THR  62  -0.207   7.898 -11.087
  523    H    GLY  63           H        GLY  63   2.496   8.616  -5.869
  524   1HA   GLY  63          1HA       GLY  63   1.921   9.223  -3.773
  525   2HA   GLY  63          2HA       GLY  63   2.107  10.858  -4.436
  526    H    LYS  64           H        LYS  64  -0.431   8.330  -4.977
  527    HA   LYS  64           HA       LYS  64  -2.419  10.468  -4.798
  528   1HB   LYS  64          1HB       LYS  64  -2.359   8.749  -6.570
  529   2HB   LYS  64          2HB       LYS  64  -2.649   7.469  -5.397
  530   1HG   LYS  64          1HG       LYS  64  -4.917   8.046  -5.147
  531   2HG   LYS  64          2HG       LYS  64  -4.641   9.732  -5.595
  532   1HD   LYS  64          1HD       LYS  64  -5.881   8.573  -7.381
  533   2HD   LYS  64          2HD       LYS  64  -4.315   9.161  -7.920
  534   1HE   LYS  64          1HE       LYS  64  -4.392   7.059  -8.898
  535   2HE   LYS  64          2HE       LYS  64  -3.416   6.780  -7.459
  536   1HZ   LYS  64          2HZ       LYS  64  -5.696   6.085  -6.459
  537   2HZ   LYS  64          3HZ       LYS  64  -6.177   5.912  -8.031
  538   3HZ   LYS  64          1HZ       LYS  64  -4.912   5.059  -7.475
  539    H    LYS  65           H        LYS  65  -4.026  10.550  -3.226
  540    HA   LYS  65           HA       LYS  65  -3.048   9.665  -0.643
  541   1HB   LYS  65          1HB       LYS  65  -5.374  11.342  -1.575
  542   2HB   LYS  65          2HB       LYS  65  -5.345  10.822   0.086
  543   1HG   LYS  65          1HG       LYS  65  -4.384  13.151  -0.630
  544   2HG   LYS  65          2HG       LYS  65  -3.686  12.253   0.692
  545   1HD   LYS  65          1HD       LYS  65  -2.416  12.113  -2.066
  546   2HD   LYS  65          2HD       LYS  65  -2.147  13.480  -1.000
  547   1HE   LYS  65          1HE       LYS  65  -1.185  12.131   0.747
  548   2HE   LYS  65          2HE       LYS  65  -1.645  10.637  -0.036
  549   1HZ   LYS  65          3HZ       LYS  65  -0.119  11.297  -1.883
  550   2HZ   LYS  65          1HZ       LYS  65   0.504  12.429  -0.850
  551   3HZ   LYS  65          2HZ       LYS  65   0.503  10.830  -0.423
  552    HA   PRO  66           HA       PRO  66  -4.800   5.888   0.125
  553   1HB   PRO  66          1HB       PRO  66  -5.829   6.027   2.705
  554   2HB   PRO  66          2HB       PRO  66  -4.090   5.889   2.297
  555   1HG   PRO  66          1HG       PRO  66  -5.693   8.417   2.845
  556   2HG   PRO  66          2HG       PRO  66  -4.117   7.949   3.545
  557   1HD   PRO  66          1HD       PRO  66  -4.148   9.609   1.479
  558   2HD   PRO  66          2HD       PRO  66  -3.015   8.215   1.402
  559    H    GLN  67           H        GLN  67  -7.184   8.356   1.307
  560    HA   GLN  67           HA       GLN  67  -9.484   6.731   1.107
  561   1HB   GLN  67          1HB       GLN  67  -9.609   8.786   2.258
  562   2HB   GLN  67          2HB       GLN  67  -9.007   9.726   0.905
  563   1HG   GLN  67          1HG       GLN  67 -11.678   8.248   0.813
  564   2HG   GLN  67          2HG       GLN  67 -11.513   9.878   1.470
  565   1HE2  GLN  67          2HE2      GLN  67 -12.448  10.119  -2.180
  566   2HE2  GLN  67          1HE2      GLN  67 -13.183   9.225  -0.869
  567    H    ALA  68           H        ALA  68  -7.777   8.650  -1.404
  568    HA   ALA  68           HA       ALA  68  -9.779   8.066  -3.385
  569   1HB   ALA  68          2HB       ALA  68  -8.360  10.089  -3.481
  570   2HB   ALA  68          3HB       ALA  68  -6.909   9.079  -3.702
  571   3HB   ALA  68          1HB       ALA  68  -8.178   9.105  -4.944
  572    H    ILE  69           H        ILE  69  -6.579   6.609  -2.503
  573    HA   ILE  69           HA       ILE  69  -6.527   4.794  -4.724
  574    HB   ILE  69           HB       ILE  69  -5.341   4.580  -1.901
  575   1HG1  ILE  69          1HG1      ILE  69  -3.860   5.153  -4.487
  576   2HG1  ILE  69          2HG1      ILE  69  -4.512   6.434  -3.525
  577   1HG2  ILE  69          3HG2      ILE  69  -5.068   2.789  -4.342
  578   2HG2  ILE  69          1HG2      ILE  69  -3.816   2.801  -3.094
  579   3HG2  ILE  69          2HG2      ILE  69  -5.459   2.320  -2.684
  580   1HD1  ILE  69          3HD1      ILE  69  -2.591   4.397  -2.325
  581   2HD1  ILE  69          1HD1      ILE  69  -2.084   5.893  -3.093
  582   3HD1  ILE  69          2HD1      ILE  69  -3.129   5.951  -1.657
  583    H    CYS  70           H        CYS  70  -7.777   4.298  -1.405
  584    HA   CYS  70           HA       CYS  70  -8.680   1.609  -1.862
  585   1HB   CYS  70          1HB       CYS  70  -9.688   3.690   0.143
  586   2HB   CYS  70          2HB       CYS  70  -9.846   1.934   0.282
  587    H    VAL  71           H        VAL  71 -10.352   4.788  -2.433
  588    HA   VAL  71           HA       VAL  71 -12.852   3.418  -3.069
  589    HB   VAL  71           HB       VAL  71 -11.759   6.207  -3.583
  590   1HG1  VAL  71          3HG1      VAL  71 -14.500   5.116  -4.373
  591   2HG1  VAL  71          1HG1      VAL  71 -14.049   6.833  -4.350
  592   3HG1  VAL  71          2HG1      VAL  71 -13.254   5.726  -5.472
  593   1HG2  VAL  71          1HG2      VAL  71 -12.489   5.592  -1.239
  594   2HG2  VAL  71          2HG2      VAL  71 -13.473   6.866  -1.966
  595   3HG2  VAL  71          3HG2      VAL  71 -14.100   5.212  -1.881
  596    H    ASP  72           H        ASP  72 -10.082   4.744  -5.053
  597    HA   ASP  72           HA       ASP  72 -11.005   4.205  -7.566
  598   1HB   ASP  72          1HB       ASP  72  -9.021   5.489  -7.028
  599   2HB   ASP  72          2HB       ASP  72  -8.205   4.081  -6.387
  600    H    ILE  73           H        ILE  73  -8.914   1.952  -5.695
  601    HA   ILE  73           HA       ILE  73  -9.346  -0.068  -7.792
  602    HB   ILE  73           HB       ILE  73  -7.703  -1.390  -6.700
  603   1HG1  ILE  73          1HG1      ILE  73  -8.239   0.445  -4.350
  604   2HG1  ILE  73          2HG1      ILE  73  -8.155  -1.299  -4.431
  605   1HG2  ILE  73          3HG2      ILE  73  -7.039   0.480  -8.143
  606   2HG2  ILE  73          1HG2      ILE  73  -6.722   1.458  -6.702
  607   3HG2  ILE  73          2HG2      ILE  73  -5.803  -0.050  -6.991
  608   1HD1  ILE  73          2HD1      ILE  73  -5.721  -1.192  -4.690
  609   2HD1  ILE  73          3HD1      ILE  73  -5.795   0.592  -4.608
  610   3HD1  ILE  73          1HD1      ILE  73  -6.267  -0.365  -3.202
  611    H    LYS  74           H        LYS  74 -11.247   0.903  -5.344
  612    HA   LYS  74           HA       LYS  74 -13.124   0.330  -4.541
  613   1HB   LYS  74          1HB       LYS  74 -13.496  -0.358  -6.882
  614   2HB   LYS  74          2HB       LYS  74 -13.156  -2.036  -6.398
  615   1HG   LYS  74          1HG       LYS  74 -14.902  -1.789  -4.646
  616   2HG   LYS  74          2HG       LYS  74 -15.355  -0.225  -5.261
  617   1HD   LYS  74          1HD       LYS  74 -15.281  -2.424  -7.273
  618   2HD   LYS  74          2HD       LYS  74 -16.524  -2.576  -6.038
  619   1HE   LYS  74          1HE       LYS  74 -17.501  -1.508  -7.966
  620   2HE   LYS  74          2HE       LYS  74 -17.397  -0.345  -6.643
  621   1HZ   LYS  74          2HZ       LYS  74 -15.390   0.547  -7.680
  622   2HZ   LYS  74          3HZ       LYS  74 -15.699  -0.345  -9.067
  623   3HZ   LYS  74          1HZ       LYS  74 -16.723   0.817  -8.404
  624    H    ILE  75           H        ILE  75 -11.793   0.098  -2.738
  625    HA   ILE  75           HA       ILE  75 -12.160  -2.514  -1.326
  626    HB   ILE  75           HB       ILE  75  -9.852  -0.526  -1.317
  627   1HG1  ILE  75          1HG1      ILE  75  -9.985  -3.514  -1.960
  628   2HG1  ILE  75          2HG1      ILE  75  -9.813  -2.203  -3.127
  629   1HG2  ILE  75          3HG2      ILE  75 -10.214  -1.161   1.026
  630   2HG2  ILE  75          1HG2      ILE  75 -10.160  -2.891   0.559
  631   3HG2  ILE  75          2HG2      ILE  75  -8.737  -1.851   0.419
  632   1HD1  ILE  75          3HD1      ILE  75  -7.683  -1.535  -1.858
  633   2HD1  ILE  75          1HD1      ILE  75  -7.785  -3.138  -1.093
  634   3HD1  ILE  75          2HD1      ILE  75  -7.630  -3.014  -2.854
  635    H    CYS  76           H        CYS  76 -12.682   0.977  -1.312
  636    HA   CYS  76           HA       CYS  76 -12.937   1.088   1.566
  637   1HB   CYS  76          1HB       CYS  76 -12.092   2.960   0.180
  638   2HB   CYS  76          2HB       CYS  76 -13.659   3.122  -0.578
  639    H    LYS  77           H        LYS  77 -15.354   2.629  -0.336
  640    HA   LYS  77           HA       LYS  77 -17.745   1.267  -0.242
  641   1HB   LYS  77          1HB       LYS  77 -17.577   1.384   2.238
  642   2HB   LYS  77          2HB       LYS  77 -17.200   3.093   2.183
  643   1HG   LYS  77          1HG       LYS  77 -19.857   1.936   1.203
  644   2HG   LYS  77          2HG       LYS  77 -19.535   2.332   2.879
  645   1HD   LYS  77          1HD       LYS  77 -20.480   4.310   2.398
  646   2HD   LYS  77          2HD       LYS  77 -18.869   4.728   1.823
  647   1HE   LYS  77          1HE       LYS  77 -19.844   3.620  -0.446
  648   2HE   LYS  77          2HE       LYS  77 -21.390   4.048   0.275
  649   1HZ   LYS  77          2HZ       LYS  77 -19.138   5.892  -0.340
  650   2HZ   LYS  77          3HZ       LYS  77 -20.326   5.627  -1.262
  651   3HZ   LYS  77          1HZ       LYS  77 -20.663   6.384   0.191
  652    H    GLU  78           H        GLU  78 -17.277   2.222  -2.316
  653    HA   GLU  78           HA       GLU  78 -16.396   4.857  -2.821
  654   1HB   GLU  78          1HB       GLU  78 -18.309   3.245  -4.552
  655   2HB   GLU  78          2HB       GLU  78 -17.147   4.475  -5.050
  656   1HG   GLU  78          1HG       GLU  78 -15.297   2.819  -4.332
  657   2HG   GLU  78          2HG       GLU  78 -16.572   1.618  -4.136
   
  No H/Q in entry =         657
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -17.164   0.677   4.610
    2   2H    GLY   1          2H        GLY   1 -16.188   0.058   3.453
    3   3H    GLY   1          3H        GLY   1 -17.791  -0.293   3.424
    4   1HA   GLY   1          1HA       GLY   1 -17.627  -1.543   5.474
    5   2HA   GLY   1          2HA       GLY   1 -16.512  -2.165   4.237
    6    H    TYR   2           H        TYR   2 -15.992  -2.693   6.960
    7    HA   TYR   2           HA       TYR   2 -14.050  -1.259   8.306
    8   1HB   TYR   2          1HB       TYR   2 -14.815  -3.395   9.082
    9   2HB   TYR   2          2HB       TYR   2 -14.342  -4.193   7.586
   10    HD1  TYR   2           HD2      TYR   2 -12.363  -1.895   9.909
   11    HD2  TYR   2           HD1      TYR   2 -12.758  -5.815   8.107
   12    HE1  TYR   2           HE2      TYR   2 -10.112  -2.477  10.672
   13    HE2  TYR   2           HE1      TYR   2 -10.489  -6.396   8.901
   14    HH   TYR   2           HH       TYR   2  -8.326  -3.946   9.956
   15    H    PHE   3           H        PHE   3 -13.620  -3.108   5.294
   16    HA   PHE   3           HA       PHE   3 -10.970  -2.935   4.764
   17   1HB   PHE   3          1HB       PHE   3 -13.396  -2.465   3.003
   18   2HB   PHE   3          2HB       PHE   3 -11.767  -2.413   2.375
   19    HD1  PHE   3           HD1      PHE   3 -11.723  -5.018   4.839
   20    HD2  PHE   3           HD2      PHE   3 -13.009  -4.014   0.824
   21    HE1  PHE   3           HE1      PHE   3 -11.640  -7.392   4.205
   22    HE2  PHE   3           HE2      PHE   3 -12.917  -6.410   0.209
   23    HZ   PHE   3           HZ       PHE   3 -12.222  -8.096   1.895
   24    H    CYS   4           H        CYS   4 -13.153  -0.034   4.616
   25    HA   CYS   4           HA       CYS   4 -11.287   1.522   3.132
   26   1HB   CYS   4          1HB       CYS   4 -13.765   2.034   3.553
   27   2HB   CYS   4          2HB       CYS   4 -13.279   2.655   5.126
   28    H    GLU   5           H        GLU   5 -11.759   1.141   6.671
   29    HA   GLU   5           HA       GLU   5  -9.849   3.099   7.545
   30   1HB   GLU   5          1HB       GLU   5 -11.592   2.180   8.998
   31   2HB   GLU   5          2HB       GLU   5 -10.974   0.548   8.822
   32   1HG   GLU   5          1HG       GLU   5  -9.465   2.842  10.138
   33   2HG   GLU   5          2HG       GLU   5 -10.438   1.658  11.004
   34    H    SER   6           H        SER   6  -9.649  -0.466   7.367
   35    HA   SER   6           HA       SER   6  -6.891  -0.485   7.881
   36   1HB   SER   6          1HB       SER   6  -8.828  -2.533   6.849
   37   2HB   SER   6          2HB       SER   6  -7.086  -2.875   6.913
   38    HG   SER   6           HG       SER   6  -8.299  -1.659   9.175
   39    H    CYS   7           H        CYS   7  -8.522  -0.318   4.700
   40    HA   CYS   7           HA       CYS   7  -6.188  -0.628   3.087
   41   1HB   CYS   7          1HB       CYS   7  -8.342  -0.734   2.083
   42   2HB   CYS   7          2HB       CYS   7  -8.816   0.843   2.717
   43    H    ARG   8           H        ARG   8  -7.772   2.352   4.447
   44    HA   ARG   8           HA       ARG   8  -5.795   4.146   3.535
   45   1HB   ARG   8          1HB       ARG   8  -7.968   4.867   4.380
   46   2HB   ARG   8          2HB       ARG   8  -7.601   4.293   5.999
   47   1HG   ARG   8          1HG       ARG   8  -5.585   6.209   4.978
   48   2HG   ARG   8          2HG       ARG   8  -7.212   6.883   5.000
   49   1HD   ARG   8          1HD       ARG   8  -7.437   6.486   7.363
   50   2HD   ARG   8          2HD       ARG   8  -5.973   5.513   7.410
   51    HE   ARG   8           HE       ARG   8  -4.635   7.515   6.949
   52   1HH1  ARG   8          2HH2      ARG   8  -7.964   8.259   7.979
   53   2HH1  ARG   8          1HH2      ARG   8  -7.561   9.850   8.505
   54   1HH2  ARG   8          2HH1      ARG   8  -4.136   9.562   7.539
   55   2HH2  ARG   8          1HH1      ARG   8  -5.284  10.625   8.280
   56    H    LYS   9           H        LYS   9  -5.924   2.260   6.598
   57    HA   LYS   9           HA       LYS   9  -3.490   3.260   7.670
   58   1HB   LYS   9          1HB       LYS   9  -5.253   2.031   8.924
   59   2HB   LYS   9          2HB       LYS   9  -4.843   0.551   8.054
   60   1HG   LYS   9          1HG       LYS   9  -2.604   0.546   9.000
   61   2HG   LYS   9          2HG       LYS   9  -2.895   2.082   9.827
   62   1HD   LYS   9          1HD       LYS   9  -4.827  -0.168  10.399
   63   2HD   LYS   9          2HD       LYS   9  -3.175  -0.378  10.963
   64   1HE   LYS   9          1HE       LYS   9  -4.454   0.536  12.756
   65   2HE   LYS   9          2HE       LYS   9  -3.288   1.756  12.220
   66   1HZ   LYS   9          3HZ       LYS   9  -6.143   1.680  11.425
   67   2HZ   LYS   9          1HZ       LYS   9  -5.566   2.618  12.631
   68   3HZ   LYS   9          2HZ       LYS   9  -5.108   2.862  11.060
   69    H    ILE  10           H        ILE  10  -4.072   0.409   5.532
   70    HA   ILE  10           HA       ILE  10  -1.403  -0.534   5.565
   71    HB   ILE  10           HB       ILE  10  -3.715  -0.971   3.669
   72   1HG1  ILE  10          1HG1      ILE  10  -2.271  -2.949   5.497
   73   2HG1  ILE  10          2HG1      ILE  10  -3.539  -1.914   6.116
   74   1HG2  ILE  10          3HG2      ILE  10  -0.956  -2.279   3.565
   75   2HG2  ILE  10          1HG2      ILE  10  -2.383  -2.875   2.692
   76   3HG2  ILE  10          2HG2      ILE  10  -1.707  -1.301   2.289
   77   1HD1  ILE  10          2HD1      ILE  10  -5.131  -2.860   4.443
   78   2HD1  ILE  10          3HD1      ILE  10  -3.859  -3.989   3.918
   79   3HD1  ILE  10          1HD1      ILE  10  -4.481  -4.066   5.568
   80    H    ILE  11           H        ILE  11  -3.096   1.617   3.202
   81    HA   ILE  11           HA       ILE  11  -0.796   2.108   1.589
   82    HB   ILE  11           HB       ILE  11  -3.358   3.673   2.077
   83   1HG1  ILE  11          1HG1      ILE  11  -3.824   1.638   0.873
   84   2HG1  ILE  11          2HG1      ILE  11  -3.922   2.981  -0.250
   85   1HG2  ILE  11          2HG2      ILE  11  -1.192   4.327   0.043
   86   2HG2  ILE  11          3HG2      ILE  11  -2.822   5.015   0.082
   87   3HG2  ILE  11          1HG2      ILE  11  -1.706   5.337   1.397
   88   1HD1  ILE  11          1HD1      ILE  11  -1.672   2.373  -1.142
   89   2HD1  ILE  11          2HD1      ILE  11  -1.648   0.969  -0.043
   90   3HD1  ILE  11          3HD1      ILE  11  -2.875   1.085  -1.306
   91    H    GLN  12           H        GLN  12  -2.143   4.090   4.324
   92    HA   GLN  12           HA       GLN  12  -0.114   6.055   4.162
   93   1HB   GLN  12          1HB       GLN  12  -1.868   5.094   6.457
   94   2HB   GLN  12          2HB       GLN  12  -0.710   6.408   6.643
   95   1HG   GLN  12          1HG       GLN  12  -2.255   6.822   4.195
   96   2HG   GLN  12          2HG       GLN  12  -3.335   6.575   5.568
   97   1HE2  GLN  12          2HE2      GLN  12  -0.707   9.802   5.622
   98   2HE2  GLN  12          1HE2      GLN  12  -0.488   8.540   4.452
   99    H    LYS  13           H        LYS  13  -0.100   2.912   5.952
  100    HA   LYS  13           HA       LYS  13   2.392   3.625   7.181
  101   1HB   LYS  13          1HB       LYS  13   0.581   2.112   8.063
  102   2HB   LYS  13          2HB       LYS  13   1.183   0.864   6.968
  103   1HG   LYS  13          1HG       LYS  13   2.807   2.313   9.129
  104   2HG   LYS  13          2HG       LYS  13   2.010   0.767   9.348
  105   1HD   LYS  13          1HD       LYS  13   3.489   0.354   7.057
  106   2HD   LYS  13          2HD       LYS  13   4.555   1.410   7.997
  107   1HE   LYS  13          1HE       LYS  13   4.901  -0.167   9.607
  108   2HE   LYS  13          2HE       LYS  13   3.269  -0.852   9.469
  109   1HZ   LYS  13          1HZ       LYS  13   5.300  -1.173   7.368
  110   2HZ   LYS  13          2HZ       LYS  13   5.038  -2.306   8.539
  111   3HZ   LYS  13          3HZ       LYS  13   3.867  -1.955   7.474
  112    H    LEU  14           H        LEU  14   1.563   2.363   3.966
  113    HA   LEU  14           HA       LEU  14   4.311   1.425   3.404
  114   1HB   LEU  14          1HB       LEU  14   2.426   0.531   2.073
  115   2HB   LEU  14          2HB       LEU  14   1.956   2.144   1.590
  116    HG   LEU  14           HG       LEU  14   3.911   2.432   0.219
  117   1HD1  LEU  14          3HD1      LEU  14   4.844  -0.231   1.333
  118   2HD1  LEU  14          1HD1      LEU  14   5.503   0.497  -0.150
  119   3HD1  LEU  14          2HD1      LEU  14   5.697   1.311   1.395
  120   1HD2  LEU  14          3HD2      LEU  14   1.938   1.186  -0.645
  121   2HD2  LEU  14          1HD2      LEU  14   3.435   0.663  -1.422
  122   3HD2  LEU  14          2HD2      LEU  14   2.696  -0.347  -0.164
  123    H    GLU  15           H        GLU  15   2.338   4.360   2.962
  124    HA   GLU  15           HA       GLU  15   4.178   5.957   1.563
  125   1HB   GLU  15          1HB       GLU  15   1.656   6.153   2.026
  126   2HB   GLU  15          2HB       GLU  15   2.072   6.792   3.611
  127   1HG   GLU  15          1HG       GLU  15   3.004   8.789   2.618
  128   2HG   GLU  15          2HG       GLU  15   2.817   8.089   0.995
  129    H    ASP  16           H        ASP  16   3.617   5.716   5.114
  130    HA   ASP  16           HA       ASP  16   5.814   7.009   6.189
  131   1HB   ASP  16          1HB       ASP  16   4.205   5.961   7.668
  132   2HB   ASP  16          2HB       ASP  16   4.322   4.433   6.874
  133    H    MET  17           H        MET  17   5.948   3.851   4.644
  134    HA   MET  17           HA       MET  17   8.682   3.432   5.641
  135   1HB   MET  17          1HB       MET  17   6.847   1.751   3.891
  136   2HB   MET  17          2HB       MET  17   8.529   1.316   4.279
  137   1HG   MET  17          1HG       MET  17   8.053   1.472   6.677
  138   2HG   MET  17          2HG       MET  17   6.401   1.976   6.348
  139   1HE   MET  17          1HE       MET  17   8.968  -0.761   6.502
  140   2HE   MET  17          2HE       MET  17   8.121  -2.223   5.942
  141   3HE   MET  17          3HE       MET  17   8.617  -0.976   4.766
  142    H    VAL  18           H        VAL  18   7.170   3.805   2.368
  143    HA   VAL  18           HA       VAL  18   9.809   3.657   1.177
  144    HB   VAL  18           HB       VAL  18   7.526   3.058   0.143
  145   1HG1  VAL  18          1HG1      VAL  18   6.374   5.206   0.429
  146   2HG1  VAL  18          2HG1      VAL  18   7.521   5.951  -0.708
  147   3HG1  VAL  18          3HG1      VAL  18   6.450   4.666  -1.265
  148   1HG2  VAL  18          3HG2      VAL  18   9.761   4.389  -1.354
  149   2HG2  VAL  18          1HG2      VAL  18   9.522   2.679  -0.961
  150   3HG2  VAL  18          2HG2      VAL  18   8.441   3.449  -2.119
  151    H    GLY  19           H        GLY  19   7.619   6.257   2.280
  152   1HA   GLY  19          1HA       GLY  19   8.092   8.312   2.966
  153   2HA   GLY  19          2HA       GLY  19   9.809   8.067   2.629
  154    HA   PRO  20           HA       PRO  20   8.300  11.002  -0.610
  155   1HB   PRO  20          1HB       PRO  20  10.664  12.169  -1.305
  156   2HB   PRO  20          2HB       PRO  20   9.895  12.477   0.281
  157   1HG   PRO  20          1HG       PRO  20  12.083  10.471  -0.378
  158   2HG   PRO  20          2HG       PRO  20  12.072  11.700   0.931
  159   1HD   PRO  20          1HD       PRO  20  11.319   9.096   1.321
  160   2HD   PRO  20          2HD       PRO  20  10.534  10.458   2.204
  161    H    GLN  21           H        GLN  21   9.002  11.485  -2.767
  162    HA   GLN  21           HA       GLN  21   8.521  10.270  -4.897
  163   1HB   GLN  21          1HB       GLN  21  11.312  11.439  -4.606
  164   2HB   GLN  21          2HB       GLN  21  10.522  11.054  -6.134
  165   1HG   GLN  21          1HG       GLN  21  10.185  13.345  -5.904
  166   2HG   GLN  21          2HG       GLN  21   8.636  12.637  -5.462
  167   1HE2  GLN  21          2HE2      GLN  21  10.800  14.741  -2.681
  168   2HE2  GLN  21          1HE2      GLN  21  11.533  14.342  -4.226
  169    HA   PRO  22           HA       PRO  22  10.770   6.334  -4.265
  170   1HB   PRO  22          1HB       PRO  22   8.807   4.573  -4.126
  171   2HB   PRO  22          2HB       PRO  22   9.020   5.813  -2.847
  172   1HG   PRO  22          1HG       PRO  22   7.113   5.949  -5.196
  173   2HG   PRO  22          2HG       PRO  22   6.746   6.130  -3.440
  174   1HD   PRO  22          1HD       PRO  22   7.294   8.288  -5.077
  175   2HD   PRO  22          2HD       PRO  22   7.714   8.246  -3.336
  176    H    ASN  23           H        ASN  23  10.463   4.098  -5.607
  177    HA   ASN  23           HA       ASN  23   9.548   4.505  -8.359
  178   1HB   ASN  23          1HB       ASN  23  11.547   3.643  -9.360
  179   2HB   ASN  23          2HB       ASN  23  12.036   5.001  -8.347
  180   1HD2  ASN  23          2HD2      ASN  23  13.830   2.923  -6.044
  181   2HD2  ASN  23          1HD2      ASN  23  13.423   4.556  -6.520
  182    H    GLU  24           H        GLU  24   9.372   2.358  -9.418
  183    HA   GLU  24           HA       GLU  24   7.626   0.698  -8.199
  184   1HB   GLU  24          1HB       GLU  24   8.083   0.858 -10.611
  185   2HB   GLU  24          2HB       GLU  24   9.633   0.099 -10.376
  186   1HG   GLU  24          1HG       GLU  24   8.272  -1.592 -11.272
  187   2HG   GLU  24          2HG       GLU  24   8.354  -2.014  -9.570
  188    H    ASP  25           H        ASP  25  11.217   0.174  -8.058
  189    HA   ASP  25           HA       ASP  25  10.941  -2.466  -6.844
  190   1HB   ASP  25          1HB       ASP  25  13.042  -2.056  -7.924
  191   2HB   ASP  25          2HB       ASP  25  13.295  -0.550  -7.024
  192    H    THR  26           H        THR  26  11.944   0.762  -5.655
  193    HA   THR  26           HA       THR  26  12.156   0.002  -2.993
  194    HB   THR  26           HB       THR  26  11.447   2.789  -4.010
  195    HG1  THR  26           HG1      THR  26  13.748   1.145  -4.175
  196   1HG2  THR  26          1HG2      THR  26  11.642   2.524  -1.501
  197   2HG2  THR  26          2HG2      THR  26  13.265   1.861  -1.720
  198   3HG2  THR  26          3HG2      THR  26  12.916   3.540  -2.186
  199    H    VAL  27           H        VAL  27   9.248   1.063  -4.764
  200    HA   VAL  27           HA       VAL  27   7.585   1.099  -2.385
  201    HB   VAL  27           HB       VAL  27   6.636   0.600  -5.241
  202   1HG1  VAL  27          3HG1      VAL  27   5.284   1.485  -2.645
  203   2HG1  VAL  27          1HG1      VAL  27   4.518   1.629  -4.227
  204   3HG1  VAL  27          2HG1      VAL  27   4.929   0.025  -3.602
  205   1HG2  VAL  27          3HG2      VAL  27   6.819   3.246  -3.732
  206   2HG2  VAL  27          1HG2      VAL  27   7.792   2.796  -5.136
  207   3HG2  VAL  27          2HG2      VAL  27   6.062   2.990  -5.325
  208    H    THR  28           H        THR  28   8.378  -1.464  -4.841
  209    HA   THR  28           HA       THR  28   6.628  -3.434  -3.811
  210    HB   THR  28           HB       THR  28   9.193  -3.605  -5.443
  211    HG1  THR  28           HG1      THR  28   7.717  -2.638  -6.612
  212   1HG2  THR  28          3HG2      THR  28   7.120  -5.760  -4.876
  213   2HG2  THR  28          1HG2      THR  28   8.356  -5.828  -6.158
  214   3HG2  THR  28          2HG2      THR  28   8.852  -5.802  -4.462
  215    H    GLN  29           H        GLN  29  10.111  -2.775  -2.996
  216    HA   GLN  29           HA       GLN  29  10.160  -4.944  -1.081
  217   1HB   GLN  29          1HB       GLN  29  12.213  -3.886  -0.194
  218   2HB   GLN  29          2HB       GLN  29  12.253  -4.370  -1.887
  219   1HG   GLN  29          1HG       GLN  29  12.204  -2.166  -2.667
  220   2HG   GLN  29          2HG       GLN  29  11.751  -1.500  -1.083
  221   1HE2  GLN  29          2HE2      GLN  29  15.641  -1.781  -1.977
  222   2HE2  GLN  29          1HE2      GLN  29  14.396  -1.917  -3.203
  223    H    ALA  30           H        ALA  30   9.678  -1.360  -0.682
  224    HA   ALA  30           HA       ALA  30   9.327  -1.429   2.101
  225   1HB   ALA  30          1HB       ALA  30   9.633   0.654   0.839
  226   2HB   ALA  30          2HB       ALA  30   8.043   0.441   0.068
  227   3HB   ALA  30          3HB       ALA  30   8.157   0.727   1.815
  228    H    ALA  31           H        ALA  31   7.001  -2.156  -0.457
  229    HA   ALA  31           HA       ALA  31   4.651  -2.351   1.230
  230   1HB   ALA  31          3HB       ALA  31   5.283  -3.274  -1.635
  231   2HB   ALA  31          1HB       ALA  31   3.675  -3.256  -0.928
  232   3HB   ALA  31          2HB       ALA  31   4.535  -1.733  -1.167
  233    H    SER  32           H        SER  32   6.800  -4.853  -0.348
  234    HA   SER  32           HA       SER  32   5.310  -7.045   0.810
  235   1HB   SER  32          1HB       SER  32   7.443  -8.352   0.429
  236   2HB   SER  32          2HB       SER  32   6.799  -7.539  -1.008
  237    HG   SER  32           HG       SER  32   8.363  -5.990  -0.852
  238    H    GLN  33           H        GLN  33   7.782  -4.931   2.134
  239    HA   GLN  33           HA       GLN  33   7.665  -6.240   4.739
  240   1HB   GLN  33          1HB       GLN  33   9.107  -3.823   3.584
  241   2HB   GLN  33          2HB       GLN  33   9.050  -4.094   5.318
  242   1HG   GLN  33          1HG       GLN  33  10.131  -6.122   3.327
  243   2HG   GLN  33          2HG       GLN  33  11.104  -5.029   4.323
  244   1HE2  GLN  33          2HE2      GLN  33  10.210  -8.454   6.029
  245   2HE2  GLN  33          1HE2      GLN  33  10.467  -8.192   4.303
  246    H    VAL  34           H        VAL  34   5.856  -3.580   3.157
  247    HA   VAL  34           HA       VAL  34   5.143  -2.278   5.484
  248    HB   VAL  34           HB       VAL  34   4.501  -1.521   3.137
  249   1HG1  VAL  34          2HG1      VAL  34   2.846  -3.461   2.515
  250   2HG1  VAL  34          3HG1      VAL  34   1.784  -2.710   3.686
  251   3HG1  VAL  34          1HG1      VAL  34   2.331  -1.796   2.288
  252   1HG2  VAL  34          2HG2      VAL  34   2.702  -1.260   5.510
  253   2HG2  VAL  34          3HG2      VAL  34   4.047  -0.202   4.929
  254   3HG2  VAL  34          1HG2      VAL  34   2.521  -0.312   4.042
  255    H    CYS  35           H        CYS  35   3.696  -5.027   3.927
  256    HA   CYS  35           HA       CYS  35   1.707  -5.561   5.923
  257   1HB   CYS  35          1HB       CYS  35   3.177  -7.432   4.059
  258   2HB   CYS  35          2HB       CYS  35   1.607  -7.739   4.842
  259    H    ASP  36           H        ASP  36   5.111  -6.831   5.387
  260    HA   ASP  36           HA       ASP  36   5.010  -8.653   7.500
  261   1HB   ASP  36          1HB       ASP  36   6.777  -8.422   5.705
  262   2HB   ASP  36          2HB       ASP  36   7.532  -7.217   6.773
  263    H    LYS  37           H        LYS  37   6.130  -5.306   7.649
  264    HA   LYS  37           HA       LYS  37   6.584  -5.178  10.444
  265   1HB   LYS  37          1HB       LYS  37   7.887  -3.803   9.063
  266   2HB   LYS  37          2HB       LYS  37   6.537  -3.121   8.238
  267   1HG   LYS  37          1HG       LYS  37   5.991  -1.894  10.479
  268   2HG   LYS  37          2HG       LYS  37   7.571  -2.437  11.025
  269   1HD   LYS  37          1HD       LYS  37   8.692  -1.173   9.228
  270   2HD   LYS  37          2HD       LYS  37   7.145  -0.798   8.497
  271   1HE   LYS  37          1HE       LYS  37   6.564   0.508  10.608
  272   2HE   LYS  37          2HE       LYS  37   8.271   0.350  11.037
  273   1HZ   LYS  37          3HZ       LYS  37   8.695   1.591   8.850
  274   2HZ   LYS  37          1HZ       LYS  37   7.091   1.997   8.833
  275   3HZ   LYS  37          2HZ       LYS  37   7.984   2.453  10.026
  276    H    LEU  38           H        LEU  38   3.635  -4.616   8.535
  277    HA   LEU  38           HA       LEU  38   2.143  -3.424  10.814
  278   1HB   LEU  38          1HB       LEU  38   1.353  -4.536   8.086
  279   2HB   LEU  38          2HB       LEU  38   0.158  -4.156   9.297
  280    HG   LEU  38           HG       LEU  38   2.016  -2.033   8.220
  281   1HD1  LEU  38          3HD1      LEU  38   0.740  -3.076   6.360
  282   2HD1  LEU  38          1HD1      LEU  38  -0.768  -2.758   7.244
  283   3HD1  LEU  38          2HD1      LEU  38   0.251  -1.411   6.673
  284   1HD2  LEU  38          3HD2      LEU  38  -0.679  -1.910   9.643
  285   2HD2  LEU  38          1HD2      LEU  38   0.888  -1.383  10.301
  286   3HD2  LEU  38          2HD2      LEU  38   0.152  -0.524   8.936
  287    H    LYS  39           H        LYS  39   2.536  -5.049  12.454
  288    HA   LYS  39           HA       LYS  39   1.715  -7.811  11.862
  289   1HB   LYS  39          1HB       LYS  39   1.975  -8.262  14.254
  290   2HB   LYS  39          2HB       LYS  39   3.419  -7.587  13.515
  291   1HG   LYS  39          1HG       LYS  39   3.069  -5.436  14.592
  292   2HG   LYS  39          2HG       LYS  39   1.478  -5.945  15.201
  293   1HD   LYS  39          1HD       LYS  39   2.494  -7.694  16.562
  294   2HD   LYS  39          2HD       LYS  39   4.101  -7.348  15.931
  295   1HE   LYS  39          1HE       LYS  39   2.462  -5.258  17.431
  296   2HE   LYS  39          2HE       LYS  39   3.421  -6.470  18.281
  297   1HZ   LYS  39          3HZ       LYS  39   4.541  -4.520  16.364
  298   2HZ   LYS  39          1HZ       LYS  39   4.655  -4.443  18.002
  299   3HZ   LYS  39          2HZ       LYS  39   5.394  -5.658  17.196
  300    H    ILE  40           H        ILE  40  -0.137  -8.821  13.044
  301    HA   ILE  40           HA       ILE  40  -2.322  -9.063  13.458
  302    HB   ILE  40           HB       ILE  40  -2.532  -6.061  13.954
  303   1HG1  ILE  40          1HG1      ILE  40  -2.428  -8.388  15.932
  304   2HG1  ILE  40          2HG1      ILE  40  -1.048  -7.357  15.551
  305   1HG2  ILE  40          2HG2      ILE  40  -4.688  -7.042  13.238
  306   2HG2  ILE  40          3HG2      ILE  40  -4.544  -8.285  14.495
  307   3HG2  ILE  40          1HG2      ILE  40  -4.726  -6.573  14.923
  308   1HD1  ILE  40          1HD1      ILE  40  -2.316  -5.362  16.352
  309   2HD1  ILE  40          2HD1      ILE  40  -3.617  -6.453  16.893
  310   3HD1  ILE  40          3HD1      ILE  40  -2.004  -6.582  17.603
  311    H    LEU  41           H        LEU  41  -1.921  -6.002  11.591
  312    HA   LEU  41           HA       LEU  41  -4.002  -6.830   9.755
  313   1HB   LEU  41          1HB       LEU  41  -3.600  -4.519  10.657
  314   2HB   LEU  41          2HB       LEU  41  -2.151  -4.410   9.659
  315    HG   LEU  41           HG       LEU  41  -3.476  -4.436   7.624
  316   1HD1  LEU  41          3HD1      LEU  41  -5.911  -4.884   9.420
  317   2HD1  LEU  41          1HD1      LEU  41  -5.967  -4.515   7.692
  318   3HD1  LEU  41          2HD1      LEU  41  -5.268  -6.032   8.223
  319   1HD2  LEU  41          2HD2      LEU  41  -3.242  -2.283   8.780
  320   2HD2  LEU  41          3HD2      LEU  41  -4.814  -2.381   7.968
  321   3HD2  LEU  41          1HD2      LEU  41  -4.724  -2.609   9.716
  322    H    ARG  42           H        ARG  42  -1.239  -8.114   9.946
  323    HA   ARG  42           HA       ARG  42   0.282  -7.992   7.597
  324   1HB   ARG  42          1HB       ARG  42   0.985  -9.115   9.673
  325   2HB   ARG  42          2HB       ARG  42  -0.385 -10.203   9.598
  326   1HG   ARG  42          1HG       ARG  42   1.328 -11.596   9.009
  327   2HG   ARG  42          2HG       ARG  42   0.668 -11.168   7.443
  328   1HD   ARG  42          1HD       ARG  42   2.999 -11.066   7.188
  329   2HD   ARG  42          2HD       ARG  42   2.496  -9.386   7.301
  330    HE   ARG  42           HE       ARG  42   3.336  -9.266   9.541
  331   1HH1  ARG  42          2HH2      ARG  42   4.550 -12.213   7.826
  332   2HH1  ARG  42          1HH2      ARG  42   6.167 -11.669   8.167
  333   1HH2  ARG  42          2HH1      ARG  42   5.431  -9.126  10.308
  334   2HH2  ARG  42          1HH1      ARG  42   6.627 -10.174   9.789
  335    H    GLY  43           H        GLY  43  -2.527 -10.061   8.453
  336   1HA   GLY  43          1HA       GLY  43  -2.549 -11.738   6.214
  337   2HA   GLY  43          2HA       GLY  43  -3.957 -11.361   7.217
  338    H    LEU  44           H        LEU  44  -4.640  -8.800   6.719
  339    HA   LEU  44           HA       LEU  44  -5.891  -9.052   4.187
  340   1HB   LEU  44          1HB       LEU  44  -6.869  -7.754   6.053
  341   2HB   LEU  44          2HB       LEU  44  -5.550  -6.582   5.935
  342    HG   LEU  44           HG       LEU  44  -6.278  -5.939   3.669
  343   1HD1  LEU  44          1HD1      LEU  44  -8.566  -7.916   4.105
  344   2HD1  LEU  44          2HD1      LEU  44  -8.508  -6.697   2.817
  345   3HD1  LEU  44          3HD1      LEU  44  -7.318  -7.994   2.833
  346   1HD2  LEU  44          1HD2      LEU  44  -7.174  -4.728   5.599
  347   2HD2  LEU  44          2HD2      LEU  44  -8.366  -4.799   4.297
  348   3HD2  LEU  44          3HD2      LEU  44  -8.537  -5.862   5.712
  349    H    CYS  45           H        CYS  45  -3.151  -6.958   5.270
  350    HA   CYS  45           HA       CYS  45  -2.582  -5.688   2.923
  351   1HB   CYS  45          1HB       CYS  45  -1.658  -5.292   5.166
  352   2HB   CYS  45          2HB       CYS  45  -0.663  -6.739   5.028
  353    H    LYS  46           H        LYS  46  -1.034  -8.872   3.868
  354    HA   LYS  46           HA       LYS  46   0.319  -9.026   1.328
  355   1HB   LYS  46          1HB       LYS  46  -0.482 -11.439   2.982
  356   2HB   LYS  46          2HB       LYS  46   0.732 -11.398   1.718
  357   1HG   LYS  46          1HG       LYS  46   0.937 -10.013   4.399
  358   2HG   LYS  46          2HG       LYS  46   1.613 -11.576   4.043
  359   1HD   LYS  46          1HD       LYS  46   2.540  -9.088   2.573
  360   2HD   LYS  46          2HD       LYS  46   3.102  -9.542   4.196
  361   1HE   LYS  46          1HE       LYS  46   3.819 -11.783   3.142
  362   2HE   LYS  46          2HE       LYS  46   3.699 -10.920   1.602
  363   1HZ   LYS  46          3HZ       LYS  46   5.276  -9.225   2.654
  364   2HZ   LYS  46          1HZ       LYS  46   5.467 -10.246   3.903
  365   3HZ   LYS  46          2HZ       LYS  46   5.926 -10.711   2.415
  366    H    LYS  47           H        LYS  47  -2.946 -10.148   2.314
  367    HA   LYS  47           HA       LYS  47  -3.541 -11.580  -0.117
  368   1HB   LYS  47          1HB       LYS  47  -4.808 -11.727   2.076
  369   2HB   LYS  47          2HB       LYS  47  -5.517 -10.160   1.674
  370   1HG   LYS  47          1HG       LYS  47  -7.075 -11.725   0.929
  371   2HG   LYS  47          2HG       LYS  47  -6.295 -11.198  -0.535
  372   1HD   LYS  47          1HD       LYS  47  -6.436 -13.496  -0.871
  373   2HD   LYS  47          2HD       LYS  47  -4.807 -13.345  -0.244
  374   1HE   LYS  47          1HE       LYS  47  -5.702 -15.183   0.913
  375   2HE   LYS  47          2HE       LYS  47  -5.778 -13.863   2.084
  376   1HZ   LYS  47          2HZ       LYS  47  -8.037 -14.862   0.437
  377   2HZ   LYS  47          3HZ       LYS  47  -7.819 -15.153   2.031
  378   3HZ   LYS  47          1HZ       LYS  47  -8.142 -13.626   1.518
  379    H    ILE  48           H        ILE  48  -4.166  -8.123   0.738
  380    HA   ILE  48           HA       ILE  48  -5.334  -7.442  -1.767
  381    HB   ILE  48           HB       ILE  48  -3.766  -5.812   0.273
  382   1HG1  ILE  48          1HG1      ILE  48  -6.727  -5.822  -0.502
  383   2HG1  ILE  48          2HG1      ILE  48  -6.058  -6.696   0.870
  384   1HG2  ILE  48          1HG2      ILE  48  -3.438  -4.725  -1.939
  385   2HG2  ILE  48          2HG2      ILE  48  -5.194  -4.753  -2.218
  386   3HG2  ILE  48          3HG2      ILE  48  -4.486  -3.761  -0.928
  387   1HD1  ILE  48          3HD1      ILE  48  -5.274  -4.510   1.841
  388   2HD1  ILE  48          1HD1      ILE  48  -6.156  -3.673   0.538
  389   3HD1  ILE  48          2HD1      ILE  48  -7.038  -4.670   1.694
  390    H    MET  49           H        MET  49  -1.889  -7.172  -0.676
  391    HA   MET  49           HA       MET  49  -0.923  -6.317  -3.193
  392   1HB   MET  49          1HB       MET  49   0.457  -7.671  -0.852
  393   2HB   MET  49          2HB       MET  49   1.299  -6.997  -2.268
  394   1HG   MET  49          1HG       MET  49   0.119  -4.838  -1.934
  395   2HG   MET  49          2HG       MET  49  -0.605  -5.461  -0.450
  396   1HE   MET  49          2HE       MET  49   0.825  -2.848  -0.974
  397   2HE   MET  49          3HE       MET  49   0.280  -3.176   0.693
  398   3HE   MET  49          1HE       MET  49   1.938  -2.608   0.371
  399    H    ARG  50           H        ARG  50  -1.705  -9.696  -2.283
  400    HA   ARG  50           HA       ARG  50  -0.166 -10.812  -4.434
  401   1HB   ARG  50          1HB       ARG  50  -1.201 -12.225  -2.696
  402   2HB   ARG  50          2HB       ARG  50  -2.807 -11.791  -3.245
  403   1HG   ARG  50          1HG       ARG  50  -2.114 -14.044  -4.009
  404   2HG   ARG  50          2HG       ARG  50  -2.539 -12.966  -5.335
  405   1HD   ARG  50          1HD       ARG  50  -0.160 -12.590  -5.842
  406   2HD   ARG  50          2HD       ARG  50   0.314 -13.612  -4.469
  407    HE   ARG  50           HE       ARG  50  -1.270 -15.282  -5.903
  408   1HH1  ARG  50          2HH2      ARG  50   1.457 -13.260  -6.947
  409   2HH1  ARG  50          1HH2      ARG  50   1.994 -14.348  -8.168
  410   1HH2  ARG  50          2HH1      ARG  50  -0.577 -16.740  -7.579
  411   2HH2  ARG  50          1HH1      ARG  50   0.788 -16.357  -8.541
  412    H    SER  51           H        SER  51  -3.530  -9.722  -4.302
  413    HA   SER  51           HA       SER  51  -3.822 -10.083  -7.231
  414   1HB   SER  51          1HB       SER  51  -5.582 -10.609  -5.446
  415   2HB   SER  51          2HB       SER  51  -5.882  -8.869  -5.368
  416    HG   SER  51           HG       SER  51  -7.268  -9.860  -6.865
  417    H    PHE  52           H        PHE  52  -2.876  -7.462  -5.164
  418    HA   PHE  52           HA       PHE  52  -3.181  -5.512  -7.400
  419   1HB   PHE  52          1HB       PHE  52  -3.609  -5.101  -4.400
  420   2HB   PHE  52          2HB       PHE  52  -3.658  -3.829  -5.583
  421    HD1  PHE  52           HD1      PHE  52  -5.487  -6.913  -4.494
  422    HD2  PHE  52           HD2      PHE  52  -5.681  -3.159  -6.591
  423    HE1  PHE  52           HE1      PHE  52  -7.933  -7.178  -4.748
  424    HE2  PHE  52           HE2      PHE  52  -8.123  -3.476  -6.901
  425    HZ   PHE  52           HZ       PHE  52  -9.249  -5.458  -5.974
  426    H    LEU  53           H        LEU  53  -0.749  -7.091  -6.895
  427    HA   LEU  53           HA       LEU  53   1.035  -5.759  -5.265
  428   1HB   LEU  53          1HB       LEU  53   1.280  -8.014  -6.600
  429   2HB   LEU  53          2HB       LEU  53   1.936  -7.041  -7.869
  430    HG   LEU  53           HG       LEU  53   3.868  -7.657  -6.829
  431   1HD1  LEU  53          1HD1      LEU  53   3.940  -5.176  -6.644
  432   2HD1  LEU  53          2HD1      LEU  53   3.246  -5.281  -5.005
  433   3HD1  LEU  53          3HD1      LEU  53   4.832  -5.967  -5.352
  434   1HD2  LEU  53          2HD2      LEU  53   2.755  -8.989  -5.082
  435   2HD2  LEU  53          3HD2      LEU  53   4.158  -8.114  -4.448
  436   3HD2  LEU  53          1HD2      LEU  53   2.516  -7.519  -4.114
  437    H    ARG  54           H        ARG  54   1.160  -5.435  -8.842
  438    HA   ARG  54           HA       ARG  54   2.703  -2.994  -8.693
  439   1HB   ARG  54          1HB       ARG  54   2.912  -4.500 -10.570
  440   2HB   ARG  54          2HB       ARG  54   1.228  -4.245 -11.049
  441   1HG   ARG  54          1HG       ARG  54   1.638  -2.020 -11.756
  442   2HG   ARG  54          2HG       ARG  54   3.160  -1.911 -10.857
  443   1HD   ARG  54          1HD       ARG  54   4.313  -3.319 -12.422
  444   2HD   ARG  54          2HD       ARG  54   2.805  -3.858 -13.160
  445    HE   ARG  54           HE       ARG  54   2.957  -2.164 -14.612
  446   1HH1  ARG  54          2HH2      ARG  54   4.866  -1.156 -11.780
  447   2HH1  ARG  54          1HH2      ARG  54   5.184   0.413 -12.313
  448   1HH2  ARG  54          2HH1      ARG  54   3.588  -0.111 -15.517
  449   2HH2  ARG  54          1HH1      ARG  54   4.564   0.959 -14.580
  450    H    ARG  55           H        ARG  55  -0.698  -3.588  -8.296
  451    HA   ARG  55           HA       ARG  55  -1.600  -1.075  -9.241
  452   1HB   ARG  55          1HB       ARG  55  -2.765  -3.248  -7.601
  453   2HB   ARG  55          2HB       ARG  55  -3.528  -1.678  -7.584
  454   1HG   ARG  55          1HG       ARG  55  -4.172  -1.780  -9.804
  455   2HG   ARG  55          2HG       ARG  55  -2.807  -2.815 -10.283
  456   1HD   ARG  55          1HD       ARG  55  -3.774  -4.725  -9.245
  457   2HD   ARG  55          2HD       ARG  55  -5.084  -3.746  -8.543
  458    HE   ARG  55           HE       ARG  55  -5.419  -3.302 -11.171
  459   1HH1  ARG  55          2HH2      ARG  55  -5.170  -6.408  -9.317
  460   2HH1  ARG  55          1HH2      ARG  55  -6.276  -7.213 -10.325
  461   1HH2  ARG  55          2HH1      ARG  55  -6.897  -4.460 -12.499
  462   2HH2  ARG  55          1HH1      ARG  55  -7.265  -6.107 -12.188
  463    H    ILE  56           H        ILE  56  -0.809  -2.366  -5.900
  464    HA   ILE  56           HA       ILE  56  -1.166   0.213  -4.727
  465    HB   ILE  56           HB       ILE  56   0.507  -2.071  -3.643
  466   1HG1  ILE  56          1HG1      ILE  56  -1.570  -3.089  -3.675
  467   2HG1  ILE  56          2HG1      ILE  56  -1.646  -2.286  -2.140
  468   1HG2  ILE  56          1HG2      ILE  56  -0.641   0.466  -2.421
  469   2HG2  ILE  56          2HG2      ILE  56  -0.047  -0.886  -1.437
  470   3HG2  ILE  56          3HG2      ILE  56   1.053  -0.028  -2.514
  471   1HD1  ILE  56          1HD1      ILE  56  -2.964  -0.414  -3.285
  472   2HD1  ILE  56          2HD1      ILE  56  -3.033  -1.452  -4.722
  473   3HD1  ILE  56          3HD1      ILE  56  -3.762  -2.006  -3.222
  474    H    SER  57           H        SER  57   1.556  -1.187  -6.522
  475    HA   SER  57           HA       SER  57   3.405   0.828  -5.761
  476   1HB   SER  57          1HB       SER  57   3.916  -1.379  -6.946
  477   2HB   SER  57          2HB       SER  57   3.419  -0.562  -8.449
  478    HG   SER  57           HG       SER  57   5.417   0.036  -8.415
  479    H    TRP  58           H        TRP  58   1.355   0.637  -8.789
  480    HA   TRP  58           HA       TRP  58   1.804   3.221  -9.744
  481   1HB   TRP  58          1HB       TRP  58   0.452   2.246 -11.245
  482   2HB   TRP  58          2HB       TRP  58  -0.305   1.211 -10.058
  483    HD1  TRP  58           HD1      TRP  58  -0.687   4.966 -11.114
  484    HE1  TRP  58           HE1      TRP  58  -3.155   5.561 -11.078
  485    HE3  TRP  58           HE3      TRP  58  -2.524   0.647  -9.141
  486    HZ2  TRP  58           HZ2      TRP  58  -5.683   4.252 -10.313
  487    HZ3  TRP  58           HZ3      TRP  58  -4.890   0.318  -8.794
  488    HH2  TRP  58           HH2      TRP  58  -6.492   2.118  -9.279
  489    H    ASP  59           H        ASP  59  -0.545   2.228  -7.269
  490    HA   ASP  59           HA       ASP  59  -1.741   4.713  -6.831
  491   1HB   ASP  59          1HB       ASP  59  -1.346   2.298  -5.040
  492   2HB   ASP  59          2HB       ASP  59  -2.116   3.726  -4.439
  493    HD1  ASP  59           HD2      ASP  59  -4.890   3.448  -6.912
  494    H    ILE  60           H        ILE  60   1.101   3.437  -5.016
  495    HA   ILE  60           HA       ILE  60   1.602   5.942  -3.692
  496    HB   ILE  60           HB       ILE  60   2.988   3.319  -3.997
  497   1HG1  ILE  60          1HG1      ILE  60   2.925   3.243  -1.622
  498   2HG1  ILE  60          2HG1      ILE  60   2.494   4.938  -1.477
  499   1HG2  ILE  60          1HG2      ILE  60   4.371   5.747  -2.803
  500   2HG2  ILE  60          2HG2      ILE  60   4.896   4.053  -2.668
  501   3HG2  ILE  60          3HG2      ILE  60   4.875   4.836  -4.245
  502   1HD1  ILE  60          2HD1      ILE  60   0.648   2.797  -2.576
  503   2HD1  ILE  60          3HD1      ILE  60   0.665   3.416  -0.913
  504   3HD1  ILE  60          1HD1      ILE  60   0.241   4.507  -2.243
  505    H    LEU  61           H        LEU  61   2.983   4.523  -6.701
  506    HA   LEU  61           HA       LEU  61   4.955   6.489  -7.127
  507   1HB   LEU  61          1HB       LEU  61   3.355   4.846  -9.122
  508   2HB   LEU  61          2HB       LEU  61   4.731   5.839  -9.577
  509    HG   LEU  61           HG       LEU  61   4.976   3.578  -7.554
  510   1HD1  LEU  61          2HD1      LEU  61   5.441   3.541 -10.571
  511   2HD1  LEU  61          3HD1      LEU  61   5.891   2.251  -9.438
  512   3HD1  LEU  61          1HD1      LEU  61   4.189   2.638  -9.679
  513   1HD2  LEU  61          3HD2      LEU  61   6.834   5.257  -7.549
  514   2HD2  LEU  61          1HD2      LEU  61   7.311   3.635  -8.041
  515   3HD2  LEU  61          2HD2      LEU  61   7.113   4.904  -9.268
  516    H    THR  62           H        THR  62   1.517   6.534  -8.015
  517    HA   THR  62           HA       THR  62   1.767   9.166  -9.324
  518    HB   THR  62           HB       THR  62  -0.759   9.008  -9.453
  519    HG1  THR  62           HG1      THR  62  -0.255   6.360  -8.548
  520   1HG2  THR  62          1HG2      THR  62   0.725   8.389 -11.307
  521   2HG2  THR  62          2HG2      THR  62   0.840   6.731 -10.690
  522   3HG2  THR  62          3HG2      THR  62  -0.721   7.374 -11.266
  523    H    GLY  63           H        GLY  63   2.329   8.527  -6.300
  524   1HA   GLY  63          1HA       GLY  63   1.904   9.270  -4.212
  525   2HA   GLY  63          2HA       GLY  63   1.988  10.857  -5.008
  526    H    LYS  64           H        LYS  64  -0.480   8.208  -5.212
  527    HA   LYS  64           HA       LYS  64  -2.495  10.325  -5.077
  528   1HB   LYS  64          1HB       LYS  64  -2.387   8.412  -6.689
  529   2HB   LYS  64          2HB       LYS  64  -2.789   7.283  -5.407
  530   1HG   LYS  64          1HG       LYS  64  -5.034   7.878  -5.463
  531   2HG   LYS  64          2HG       LYS  64  -4.665   9.576  -5.768
  532   1HD   LYS  64          1HD       LYS  64  -5.742   8.843  -7.709
  533   2HD   LYS  64          2HD       LYS  64  -4.054   8.994  -8.147
  534   1HE   LYS  64          1HE       LYS  64  -5.617   6.418  -7.640
  535   2HE   LYS  64          2HE       LYS  64  -5.102   7.040  -9.193
  536   1HZ   LYS  64          1HZ       LYS  64  -2.767   6.683  -8.408
  537   2HZ   LYS  64          2HZ       LYS  64  -3.414   5.934  -7.076
  538   3HZ   LYS  64          3HZ       LYS  64  -3.710   5.311  -8.525
  539    H    LYS  65           H        LYS  65  -4.027  10.486  -3.466
  540    HA   LYS  65           HA       LYS  65  -2.894   9.813  -0.865
  541   1HB   LYS  65          1HB       LYS  65  -5.210  11.509  -1.765
  542   2HB   LYS  65          2HB       LYS  65  -5.104  11.083  -0.080
  543   1HG   LYS  65          1HG       LYS  65  -4.035  13.313  -1.120
  544   2HG   LYS  65          2HG       LYS  65  -3.467  12.569   0.351
  545   1HD   LYS  65          1HD       LYS  65  -2.107  11.993  -2.304
  546   2HD   LYS  65          2HD       LYS  65  -1.748  13.427  -1.371
  547   1HE   LYS  65          1HE       LYS  65  -0.827  12.270   0.452
  548   2HE   LYS  65          2HE       LYS  65  -1.601  10.757   0.042
  549   1HZ   LYS  65          2HZ       LYS  65  -0.117  10.705  -1.956
  550   2HZ   LYS  65          3HZ       LYS  65   0.752  11.914  -1.250
  551   3HZ   LYS  65          1HZ       LYS  65   0.552  10.477  -0.459
  552    HA   PRO  66           HA       PRO  66  -4.672   6.136   0.175
  553   1HB   PRO  66          1HB       PRO  66  -5.504   6.354   2.798
  554   2HB   PRO  66          2HB       PRO  66  -3.796   6.228   2.288
  555   1HG   PRO  66          1HG       PRO  66  -5.372   8.759   2.883
  556   2HG   PRO  66          2HG       PRO  66  -3.745   8.324   3.475
  557   1HD   PRO  66          1HD       PRO  66  -3.972   9.925   1.366
  558   2HD   PRO  66          2HD       PRO  66  -2.788   8.577   1.285
  559    H    GLN  67           H        GLN  67  -6.912   8.691   1.415
  560    HA   GLN  67           HA       GLN  67  -9.198   7.021   1.346
  561   1HB   GLN  67          1HB       GLN  67  -8.980   9.183   2.597
  562   2HB   GLN  67          2HB       GLN  67  -9.037  10.060   1.064
  563   1HG   GLN  67          1HG       GLN  67 -11.214  10.047   2.259
  564   2HG   GLN  67          2HG       GLN  67 -11.331   9.300   0.668
  565   1HE2  GLN  67          2HE2      GLN  67 -12.403   6.185   1.961
  566   2HE2  GLN  67          1HE2      GLN  67 -11.965   7.122   0.526
  567    H    ALA  68           H        ALA  68  -7.506   8.671  -1.257
  568    HA   ALA  68           HA       ALA  68  -9.739   8.340  -3.143
  569   1HB   ALA  68          2HB       ALA  68  -8.163  10.239  -3.440
  570   2HB   ALA  68          3HB       ALA  68  -6.806   9.098  -3.617
  571   3HB   ALA  68          1HB       ALA  68  -8.111   9.120  -4.812
  572    H    ILE  69           H        ILE  69  -6.471   6.839  -2.477
  573    HA   ILE  69           HA       ILE  69  -6.531   4.879  -4.445
  574    HB   ILE  69           HB       ILE  69  -5.313   4.807  -1.684
  575   1HG1  ILE  69          1HG1      ILE  69  -4.037   5.009  -4.444
  576   2HG1  ILE  69          2HG1      ILE  69  -4.539   6.431  -3.575
  577   1HG2  ILE  69          3HG2      ILE  69  -5.189   2.749  -3.935
  578   2HG2  ILE  69          1HG2      ILE  69  -3.948   2.838  -2.680
  579   3HG2  ILE  69          2HG2      ILE  69  -5.612   2.476  -2.240
  580   1HD1  ILE  69          2HD1      ILE  69  -2.562   4.456  -2.362
  581   2HD1  ILE  69          3HD1      ILE  69  -2.103   5.858  -3.327
  582   3HD1  ILE  69          1HD1      ILE  69  -2.992   6.084  -1.808
  583    H    CYS  70           H        CYS  70  -7.987   4.607  -1.145
  584    HA   CYS  70           HA       CYS  70  -8.880   1.928  -1.603
  585   1HB   CYS  70          1HB       CYS  70 -10.084   4.039   0.233
  586   2HB   CYS  70          2HB       CYS  70 -10.295   2.282   0.362
  587    H    VAL  71           H        VAL  71 -10.507   5.022  -2.540
  588    HA   VAL  71           HA       VAL  71 -12.877   3.534  -3.391
  589    HB   VAL  71           HB       VAL  71 -12.061   6.429  -3.750
  590   1HG1  VAL  71          1HG1      VAL  71 -14.721   5.039  -4.368
  591   2HG1  VAL  71          2HG1      VAL  71 -14.440   6.791  -4.413
  592   3HG1  VAL  71          3HG1      VAL  71 -13.620   5.733  -5.566
  593   1HG2  VAL  71          2HG2      VAL  71 -12.606   5.740  -1.386
  594   2HG2  VAL  71          3HG2      VAL  71 -13.805   6.848  -2.057
  595   3HG2  VAL  71          1HG2      VAL  71 -14.173   5.119  -1.960
  596    H    ASP  72           H        ASP  72 -10.025   4.915  -4.921
  597    HA   ASP  72           HA       ASP  72 -10.348   4.565  -7.615
  598   1HB   ASP  72          1HB       ASP  72  -8.637   5.830  -6.597
  599   2HB   ASP  72          2HB       ASP  72  -8.075   4.475  -5.673
  600    H    ILE  73           H        ILE  73  -8.873   2.062  -5.450
  601    HA   ILE  73           HA       ILE  73  -9.279   0.100  -7.651
  602    HB   ILE  73           HB       ILE  73  -8.065  -1.475  -5.979
  603   1HG1  ILE  73          1HG1      ILE  73  -7.041   1.224  -5.050
  604   2HG1  ILE  73          2HG1      ILE  73  -8.136   0.183  -4.089
  605   1HG2  ILE  73          3HG2      ILE  73  -7.310  -0.668  -8.228
  606   2HG2  ILE  73          1HG2      ILE  73  -6.627   0.763  -7.418
  607   3HG2  ILE  73          2HG2      ILE  73  -5.980  -0.859  -7.086
  608   1HD1  ILE  73          1HD1      ILE  73  -6.383  -1.602  -4.343
  609   2HD1  ILE  73          2HD1      ILE  73  -5.332  -0.342  -5.059
  610   3HD1  ILE  73          3HD1      ILE  73  -5.905  -0.153  -3.384
  611    H    LYS  74           H        LYS  74 -11.030   1.194  -5.340
  612    HA   LYS  74           HA       LYS  74 -13.144   0.921  -4.725
  613   1HB   LYS  74          1HB       LYS  74 -13.298   0.104  -7.120
  614   2HB   LYS  74          2HB       LYS  74 -13.241  -1.552  -6.496
  615   1HG   LYS  74          1HG       LYS  74 -15.128  -0.102  -4.960
  616   2HG   LYS  74          2HG       LYS  74 -15.361   0.363  -6.602
  617   1HD   LYS  74          1HD       LYS  74 -16.908  -1.314  -6.457
  618   2HD   LYS  74          2HD       LYS  74 -15.519  -2.286  -6.929
  619   1HE   LYS  74          1HE       LYS  74 -16.735  -3.326  -5.052
  620   2HE   LYS  74          2HE       LYS  74 -15.112  -2.842  -4.536
  621   1HZ   LYS  74          1HZ       LYS  74 -17.597  -1.273  -3.950
  622   2HZ   LYS  74          2HZ       LYS  74 -16.820  -2.241  -2.900
  623   3HZ   LYS  74          3HZ       LYS  74 -16.091  -0.894  -3.465
  624    H    ILE  75           H        ILE  75 -12.219   0.579  -2.698
  625    HA   ILE  75           HA       ILE  75 -12.679  -2.081  -1.428
  626    HB   ILE  75           HB       ILE  75 -10.339  -0.147  -1.202
  627   1HG1  ILE  75          1HG1      ILE  75 -10.511  -2.995  -2.307
  628   2HG1  ILE  75          2HG1      ILE  75 -10.168  -1.522  -3.215
  629   1HG2  ILE  75          2HG2      ILE  75 -10.743  -2.716   0.366
  630   2HG2  ILE  75          3HG2      ILE  75  -9.255  -1.747   0.356
  631   3HG2  ILE  75          1HG2      ILE  75 -10.701  -1.045   1.015
  632   1HD1  ILE  75          2HD1      ILE  75  -8.053  -1.252  -1.865
  633   2HD1  ILE  75          3HD1      ILE  75  -8.329  -2.911  -1.264
  634   3HD1  ILE  75          1HD1      ILE  75  -8.117  -2.628  -2.994
  635    H    CYS  76           H        CYS  76 -13.229   1.393  -1.284
  636    HA   CYS  76           HA       CYS  76 -13.320   1.431   1.639
  637   1HB   CYS  76          1HB       CYS  76 -12.360   3.343   0.379
  638   2HB   CYS  76          2HB       CYS  76 -13.923   3.633  -0.345
  639    H    LYS  77           H        LYS  77 -15.679   2.835  -0.644
  640    HA   LYS  77           HA       LYS  77 -17.804   1.287   0.335
  641   1HB   LYS  77          1HB       LYS  77 -17.853   2.621   2.317
  642   2HB   LYS  77          2HB       LYS  77 -17.754   4.118   1.403
  643   1HG   LYS  77          1HG       LYS  77 -19.991   3.538   2.497
  644   2HG   LYS  77          2HG       LYS  77 -20.010   4.130   0.873
  645   1HD   LYS  77          1HD       LYS  77 -20.055   1.358   0.425
  646   2HD   LYS  77          2HD       LYS  77 -20.885   1.516   1.964
  647   1HE   LYS  77          1HE       LYS  77 -22.598   1.646   0.344
  648   2HE   LYS  77          2HE       LYS  77 -22.335   3.326   0.839
  649   1HZ   LYS  77          3HZ       LYS  77 -20.860   3.466  -1.207
  650   2HZ   LYS  77          1HZ       LYS  77 -21.364   2.019  -1.657
  651   3HZ   LYS  77          2HZ       LYS  77 -22.463   3.218  -1.555
  652    H    GLU  78           H        GLU  78 -17.056   1.238  -2.029
  653    HA   GLU  78           HA       GLU  78 -18.864   2.881  -3.664
  654   1HB   GLU  78          1HB       GLU  78 -17.170   0.601  -4.682
  655   2HB   GLU  78          2HB       GLU  78 -17.678   2.060  -5.458
  656   1HG   GLU  78          1HG       GLU  78 -15.298   2.194  -5.129
  657   2HG   GLU  78          2HG       GLU  78 -16.102   3.377  -4.102
   
  No H/Q in entry =         657
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -17.055  -0.081   3.916
    2   2H    GLY   1          2H        GLY   1 -16.070  -0.850   2.871
    3   3H    GLY   1          3H        GLY   1 -17.672  -1.228   2.900
    4   1HA   GLY   1          1HA       GLY   1 -17.490  -2.113   5.137
    5   2HA   GLY   1          2HA       GLY   1 -16.399  -2.947   4.008
    6    H    TYR   2           H        TYR   2 -15.651  -3.187   6.667
    7    HA   TYR   2           HA       TYR   2 -14.044  -1.216   7.783
    8   1HB   TYR   2          1HB       TYR   2 -14.525  -3.251   9.006
    9   2HB   TYR   2          2HB       TYR   2 -13.679  -4.231   7.806
   10    HD1  TYR   2           HD1      TYR   2 -12.855  -1.125   9.841
   11    HD2  TYR   2           HD2      TYR   2 -11.608  -5.075   8.601
   12    HE1  TYR   2           HE1      TYR   2 -10.638  -0.736  10.823
   13    HE2  TYR   2           HE2      TYR   2  -9.389  -4.687   9.622
   14    HH   TYR   2           HH       TYR   2  -8.444  -1.377  10.613
   15    H    PHE   3           H        PHE   3 -13.279  -3.384   5.105
   16    HA   PHE   3           HA       PHE   3 -10.684  -3.139   4.577
   17   1HB   PHE   3          1HB       PHE   3 -13.064  -2.894   2.732
   18   2HB   PHE   3          2HB       PHE   3 -11.435  -2.789   2.110
   19    HD1  PHE   3           HD2      PHE   3  -9.773  -4.604   2.527
   20    HD2  PHE   3           HD1      PHE   3 -14.029  -5.117   3.017
   21    HE1  PHE   3           HE2      PHE   3  -9.513  -7.054   2.215
   22    HE2  PHE   3           HE1      PHE   3 -13.764  -7.560   2.699
   23    HZ   PHE   3           HZ       PHE   3 -11.522  -8.526   2.283
   24    H    CYS   4           H        CYS   4 -12.897  -0.302   4.248
   25    HA   CYS   4           HA       CYS   4 -11.061   1.319   2.803
   26   1HB   CYS   4          1HB       CYS   4 -13.562   1.817   3.445
   27   2HB   CYS   4          2HB       CYS   4 -12.906   2.426   4.951
   28    H    GLU   5           H        GLU   5 -11.484   0.841   6.336
   29    HA   GLU   5           HA       GLU   5  -9.475   2.756   7.149
   30   1HB   GLU   5          1HB       GLU   5 -11.474   1.866   8.480
   31   2HB   GLU   5          2HB       GLU   5 -10.607   0.350   8.645
   32   1HG   GLU   5          1HG       GLU   5  -9.733   3.083   9.663
   33   2HG   GLU   5          2HG       GLU   5 -10.398   1.779  10.641
   34    H    SER   6           H        SER   6  -9.658  -0.841   6.801
   35    HA   SER   6           HA       SER   6  -7.090  -1.491   7.608
   36   1HB   SER   6          1HB       SER   6  -8.368  -2.817   5.194
   37   2HB   SER   6          2HB       SER   6  -7.419  -3.543   6.492
   38    HG   SER   6           HG       SER   6  -9.310  -2.916   7.872
   39    H    CYS   7           H        CYS   7  -8.205  -0.659   4.344
   40    HA   CYS   7           HA       CYS   7  -5.757  -0.825   2.925
   41   1HB   CYS   7          1HB       CYS   7  -7.922  -0.929   1.915
   42   2HB   CYS   7          2HB       CYS   7  -8.368   0.664   2.497
   43    H    ARG   8           H        ARG   8  -7.471   2.019   4.423
   44    HA   ARG   8           HA       ARG   8  -5.515   3.886   3.607
   45   1HB   ARG   8          1HB       ARG   8  -7.836   4.395   4.632
   46   2HB   ARG   8          2HB       ARG   8  -7.087   4.090   6.209
   47   1HG   ARG   8          1HG       ARG   8  -5.253   5.812   5.206
   48   2HG   ARG   8          2HG       ARG   8  -6.625   6.324   4.226
   49   1HD   ARG   8          1HD       ARG   8  -7.879   6.923   6.223
   50   2HD   ARG   8          2HD       ARG   8  -6.680   6.148   7.261
   51    HE   ARG   8           HE       ARG   8  -5.042   7.803   6.719
   52   1HH1  ARG   8          2HH2      ARG   8  -8.283   8.779   5.551
   53   2HH1  ARG   8          1HH2      ARG   8  -7.937  10.461   5.723
   54   1HH2  ARG   8          2HH1      ARG   8  -4.518   9.880   6.647
   55   2HH2  ARG   8          1HH1      ARG   8  -5.671  11.146   6.353
   56    H    LYS   9           H        LYS   9  -5.743   1.990   6.674
   57    HA   LYS   9           HA       LYS   9  -3.374   2.946   7.870
   58   1HB   LYS   9          1HB       LYS   9  -5.121   1.675   9.011
   59   2HB   LYS   9          2HB       LYS   9  -4.778   0.239   8.048
   60   1HG   LYS   9          1HG       LYS   9  -2.537   0.086   9.035
   61   2HG   LYS   9          2HG       LYS   9  -2.826   1.541   9.997
   62   1HD   LYS   9          1HD       LYS   9  -4.647  -0.903  10.235
   63   2HD   LYS   9          2HD       LYS   9  -3.088  -0.834  11.044
   64   1HE   LYS   9          1HE       LYS   9  -4.509  -0.131  12.711
   65   2HE   LYS   9          2HE       LYS   9  -3.837   1.385  12.097
   66   1HZ   LYS   9          1HZ       LYS   9  -6.535   0.323  11.361
   67   2HZ   LYS   9          2HZ       LYS   9  -6.243   1.498  12.460
   68   3HZ   LYS   9          3HZ       LYS   9  -5.964   1.705  10.876
   69    H    ILE  10           H        ILE  10  -3.832   0.161   5.653
   70    HA   ILE  10           HA       ILE  10  -1.157  -0.745   5.640
   71    HB   ILE  10           HB       ILE  10  -3.433  -1.009   3.656
   72   1HG1  ILE  10          1HG1      ILE  10  -2.037  -3.102   5.376
   73   2HG1  ILE  10          2HG1      ILE  10  -3.339  -2.138   6.015
   74   1HG2  ILE  10          1HG2      ILE  10  -0.638  -2.194   3.511
   75   2HG2  ILE  10          2HG2      ILE  10  -2.012  -2.893   2.633
   76   3HG2  ILE  10          3HG2      ILE  10  -1.475  -1.261   2.258
   77   1HD1  ILE  10          2HD1      ILE  10  -3.621  -3.930   3.566
   78   2HD1  ILE  10          3HD1      ILE  10  -4.181  -4.300   5.191
   79   3HD1  ILE  10          1HD1      ILE  10  -4.894  -2.946   4.294
   80    H    ILE  11           H        ILE  11  -2.782   1.465   3.253
   81    HA   ILE  11           HA       ILE  11  -0.342   1.955   1.846
   82    HB   ILE  11           HB       ILE  11  -2.923   3.549   1.982
   83   1HG1  ILE  11          1HG1      ILE  11  -3.338   1.469   0.835
   84   2HG1  ILE  11          2HG1      ILE  11  -3.267   2.754  -0.357
   85   1HG2  ILE  11          2HG2      ILE  11  -0.535   3.989   0.131
   86   2HG2  ILE  11          3HG2      ILE  11  -2.124   4.770   0.004
   87   3HG2  ILE  11          1HG2      ILE  11  -1.101   5.101   1.378
   88   1HD1  ILE  11          2HD1      ILE  11  -0.983   2.036  -1.005
   89   2HD1  ILE  11          3HD1      ILE  11  -1.073   0.711   0.185
   90   3HD1  ILE  11          1HD1      ILE  11  -2.188   0.755  -1.185
   91    H    GLN  12           H        GLN  12  -1.914   3.814   4.554
   92    HA   GLN  12           HA       GLN  12  -0.155   5.997   4.405
   93   1HB   GLN  12          1HB       GLN  12  -1.555   4.750   6.799
   94   2HB   GLN  12          2HB       GLN  12  -0.627   6.241   6.924
   95   1HG   GLN  12          1HG       GLN  12  -2.717   6.144   4.771
   96   2HG   GLN  12          2HG       GLN  12  -3.267   6.160   6.440
   97   1HE2  GLN  12          2HE2      GLN  12  -1.139   9.530   5.299
   98   2HE2  GLN  12          1HE2      GLN  12  -0.730   8.086   4.454
   99    H    LYS  13           H        LYS  13   0.346   2.877   6.233
  100    HA   LYS  13           HA       LYS  13   2.858   3.961   7.134
  101   1HB   LYS  13          1HB       LYS  13   1.562   2.227   8.411
  102   2HB   LYS  13          2HB       LYS  13   2.145   1.021   7.261
  103   1HG   LYS  13          1HG       LYS  13   3.430   1.220   9.455
  104   2HG   LYS  13          2HG       LYS  13   4.420   1.301   7.998
  105   1HD   LYS  13          1HD       LYS  13   4.710   3.656   8.187
  106   2HD   LYS  13          2HD       LYS  13   3.462   3.813   9.432
  107   1HE   LYS  13          1HE       LYS  13   4.896   2.727  11.061
  108   2HE   LYS  13          2HE       LYS  13   6.093   2.334   9.800
  109   1HZ   LYS  13          3HZ       LYS  13   5.372   5.158  10.317
  110   2HZ   LYS  13          1HZ       LYS  13   6.630   4.427  11.136
  111   3HZ   LYS  13          2HZ       LYS  13   6.552   4.632   9.498
  112    H    LEU  14           H        LEU  14   1.922   2.283   4.206
  113    HA   LEU  14           HA       LEU  14   4.628   1.537   3.443
  114   1HB   LEU  14          1HB       LEU  14   2.627   0.502   2.397
  115   2HB   LEU  14          2HB       LEU  14   2.133   2.060   1.763
  116    HG   LEU  14           HG       LEU  14   4.035   2.189   0.274
  117   1HD1  LEU  14          1HD1      LEU  14   4.984  -0.364   1.638
  118   2HD1  LEU  14          2HD1      LEU  14   5.594   0.193   0.058
  119   3HD1  LEU  14          3HD1      LEU  14   5.852   1.172   1.494
  120   1HD2  LEU  14          2HD2      LEU  14   2.025   0.934  -0.417
  121   2HD2  LEU  14          3HD2      LEU  14   3.487   0.289  -1.167
  122   3HD2  LEU  14          1HD2      LEU  14   2.739  -0.570   0.202
  123    H    GLU  15           H        GLU  15   2.482   4.286   2.834
  124    HA   GLU  15           HA       GLU  15   4.137   5.780   1.119
  125   1HB   GLU  15          1HB       GLU  15   1.609   5.830   1.546
  126   2HB   GLU  15          2HB       GLU  15   1.922   6.540   3.123
  127   1HG   GLU  15          1HG       GLU  15   2.761   8.588   1.955
  128   2HG   GLU  15          2HG       GLU  15   2.362   7.813   0.412
  129    H    ASP  16           H        ASP  16   3.648   5.928   4.641
  130    HA   ASP  16           HA       ASP  16   5.589   7.857   5.353
  131   1HB   ASP  16          1HB       ASP  16   3.959   7.110   6.942
  132   2HB   ASP  16          2HB       ASP  16   4.292   5.423   6.602
  133    H    MET  17           H        MET  17   5.931   4.290   4.995
  134    HA   MET  17           HA       MET  17   8.675   4.391   5.816
  135   1HB   MET  17          1HB       MET  17   6.935   2.227   4.583
  136   2HB   MET  17          2HB       MET  17   8.679   2.005   4.787
  137   1HG   MET  17          1HG       MET  17   8.543   2.452   7.160
  138   2HG   MET  17          2HG       MET  17   6.826   2.784   7.057
  139   1HE   MET  17          1HE       MET  17   9.020  -0.243   5.512
  140   2HE   MET  17          2HE       MET  17   7.847  -1.555   5.784
  141   3HE   MET  17          3HE       MET  17   7.430  -0.205   4.720
  142    H    VAL  18           H        VAL  18   7.226   4.060   2.474
  143    HA   VAL  18           HA       VAL  18   9.906   3.764   1.376
  144    HB   VAL  18           HB       VAL  18   7.723   2.836   0.420
  145   1HG1  VAL  18          2HG1      VAL  18   6.456   4.974   0.350
  146   2HG1  VAL  18          3HG1      VAL  18   7.558   5.519  -0.921
  147   3HG1  VAL  18          1HG1      VAL  18   6.543   4.091  -1.201
  148   1HG2  VAL  18          1HG2      VAL  18   9.872   4.106  -1.265
  149   2HG2  VAL  18          2HG2      VAL  18   9.716   2.442  -0.666
  150   3HG2  VAL  18          3HG2      VAL  18   8.617   3.022  -1.918
  151    H    GLY  19           H        GLY  19   7.726   6.405   2.201
  152   1HA   GLY  19          1HA       GLY  19   8.256   8.579   2.562
  153   2HA   GLY  19          2HA       GLY  19   9.806   8.390   1.715
  154    HA   PRO  20           HA       PRO  20   6.655  10.360  -1.149
  155   1HB   PRO  20          1HB       PRO  20   7.772  12.809  -1.543
  156   2HB   PRO  20          2HB       PRO  20   6.816  12.449  -0.069
  157   1HG   PRO  20          1HG       PRO  20   9.836  12.376  -0.399
  158   2HG   PRO  20          2HG       PRO  20   8.884  13.175   0.895
  159   1HD   PRO  20          1HD       PRO  20   9.972  10.656   1.131
  160   2HD   PRO  20          2HD       PRO  20   8.421  11.127   1.942
  161    H    GLN  21           H        GLN  21   6.987  10.891  -3.194
  162    HA   GLN  21           HA       GLN  21   7.571  10.093  -5.332
  163   1HB   GLN  21          1HB       GLN  21   9.954  11.854  -4.672
  164   2HB   GLN  21          2HB       GLN  21   9.362  11.431  -6.289
  165   1HG   GLN  21          1HG       GLN  21   7.163  12.528  -5.691
  166   2HG   GLN  21          2HG       GLN  21   7.912  13.112  -4.199
  167   1HE2  GLN  21          2HE2      GLN  21  10.245  15.071  -6.562
  168   2HE2  GLN  21          1HE2      GLN  21  10.603  13.592  -5.677
  169    HA   PRO  22           HA       PRO  22  10.719   6.885  -4.067
  170   1HB   PRO  22          1HB       PRO  22   9.274   4.686  -3.705
  171   2HB   PRO  22          2HB       PRO  22   9.204   6.016  -2.512
  172   1HG   PRO  22          1HG       PRO  22   7.316   5.566  -4.859
  173   2HG   PRO  22          2HG       PRO  22   6.891   5.662  -3.122
  174   1HD   PRO  22          1HD       PRO  22   6.820   7.877  -4.737
  175   2HD   PRO  22          2HD       PRO  22   7.355   7.974  -3.028
  176    H    ASN  23           H        ASN  23  10.553   4.428  -5.261
  177    HA   ASN  23           HA       ASN  23   9.978   4.761  -8.148
  178   1HB   ASN  23          1HB       ASN  23  12.155   3.607  -8.534
  179   2HB   ASN  23          2HB       ASN  23  12.370   5.163  -7.726
  180   1HD2  ASN  23          2HD2      ASN  23  13.804   1.980  -5.815
  181   2HD2  ASN  23          1HD2      ASN  23  13.537   1.924  -7.563
  182    H    GLU  24           H        GLU  24   9.352   2.873  -9.118
  183    HA   GLU  24           HA       GLU  24   7.592   1.237  -7.947
  184   1HB   GLU  24          1HB       GLU  24   7.801   1.540 -10.311
  185   2HB   GLU  24          2HB       GLU  24   9.351   0.715 -10.361
  186   1HG   GLU  24          1HG       GLU  24   8.406  -1.381 -10.291
  187   2HG   GLU  24          2HG       GLU  24   7.117  -0.896  -9.194
  188    H    ASP  25           H        ASP  25  11.065   0.336  -8.174
  189    HA   ASP  25           HA       ASP  25  10.736  -2.339  -7.194
  190   1HB   ASP  25          1HB       ASP  25  12.844  -1.794  -8.189
  191   2HB   ASP  25          2HB       ASP  25  13.101  -0.432  -7.084
  192    H    THR  26           H        THR  26  11.893   0.593  -5.466
  193    HA   THR  26           HA       THR  26  11.929  -0.603  -2.984
  194    HB   THR  26           HB       THR  26  11.615   2.350  -3.628
  195    HG1  THR  26           HG1      THR  26  13.720   0.434  -3.877
  196   1HG2  THR  26          3HG2      THR  26  11.633   1.715  -1.168
  197   2HG2  THR  26          1HG2      THR  26  13.216   0.975  -1.409
  198   3HG2  THR  26          2HG2      THR  26  12.993   2.725  -1.668
  199    H    VAL  27           H        VAL  27   9.200   0.991  -4.626
  200    HA   VAL  27           HA       VAL  27   7.489   0.927  -2.286
  201    HB   VAL  27           HB       VAL  27   6.723   0.823  -5.255
  202   1HG1  VAL  27          2HG1      VAL  27   5.074   1.452  -2.764
  203   2HG1  VAL  27          3HG1      VAL  27   4.540   1.760  -4.427
  204   3HG1  VAL  27          1HG1      VAL  27   4.827   0.100  -3.894
  205   1HG2  VAL  27          3HG2      VAL  27   7.979   2.908  -4.635
  206   2HG2  VAL  27          1HG2      VAL  27   6.310   3.215  -5.107
  207   3HG2  VAL  27          2HG2      VAL  27   6.764   3.228  -3.387
  208    H    THR  28           H        THR  28   8.061  -1.401  -4.974
  209    HA   THR  28           HA       THR  28   6.110  -3.295  -4.190
  210    HB   THR  28           HB       THR  28   8.686  -3.586  -5.803
  211    HG1  THR  28           HG1      THR  28   7.430  -2.196  -6.835
  212   1HG2  THR  28          3HG2      THR  28   6.216  -5.343  -5.760
  213   2HG2  THR  28          1HG2      THR  28   7.609  -5.510  -6.852
  214   3HG2  THR  28          2HG2      THR  28   7.815  -5.806  -5.118
  215    H    GLN  29           H        GLN  29   9.676  -3.172  -3.463
  216    HA   GLN  29           HA       GLN  29   9.491  -5.522  -1.807
  217   1HB   GLN  29          1HB       GLN  29  11.724  -4.880  -0.943
  218   2HB   GLN  29          2HB       GLN  29  11.622  -5.135  -2.680
  219   1HG   GLN  29          1HG       GLN  29  11.940  -2.895  -3.195
  220   2HG   GLN  29          2HG       GLN  29  11.501  -2.329  -1.573
  221   1HE2  GLN  29          2HE2      GLN  29  15.362  -2.857  -2.359
  222   2HE2  GLN  29          1HE2      GLN  29  14.151  -2.645  -3.608
  223    H    ALA  30           H        ALA  30   9.537  -1.952  -0.965
  224    HA   ALA  30           HA       ALA  30   9.566  -2.388   1.808
  225   1HB   ALA  30          2HB       ALA  30  10.006  -0.176   0.799
  226   2HB   ALA  30          3HB       ALA  30   8.296  -0.055   0.308
  227   3HB   ALA  30          1HB       ALA  30   8.731  -0.085   2.026
  228    H    ALA  31           H        ALA  31   6.833  -2.338  -0.477
  229    HA   ALA  31           HA       ALA  31   4.749  -2.509   1.474
  230   1HB   ALA  31          2HB       ALA  31   4.386  -1.902  -0.934
  231   2HB   ALA  31          3HB       ALA  31   4.850  -3.537  -1.425
  232   3HB   ALA  31          1HB       ALA  31   3.388  -3.286  -0.458
  233    H    SER  32           H        SER  32   6.575  -5.116  -0.325
  234    HA   SER  32           HA       SER  32   5.043  -7.245   0.814
  235   1HB   SER  32          1HB       SER  32   6.747  -8.704   0.072
  236   2HB   SER  32          2HB       SER  32   6.675  -7.399  -1.117
  237    HG   SER  32           HG       SER  32   8.538  -6.469   0.096
  238    H    GLN  33           H        GLN  33   7.699  -5.355   2.198
  239    HA   GLN  33           HA       GLN  33   7.589  -6.913   4.689
  240   1HB   GLN  33          1HB       GLN  33   9.188  -4.512   3.764
  241   2HB   GLN  33          2HB       GLN  33   9.117  -4.962   5.467
  242   1HG   GLN  33          1HG       GLN  33  11.105  -5.908   4.430
  243   2HG   GLN  33          2HG       GLN  33  10.029  -7.180   5.005
  244   1HE2  GLN  33          2HE2      GLN  33   9.412  -8.385   1.694
  245   2HE2  GLN  33          1HE2      GLN  33   9.055  -8.650   3.410
  246    H    VAL  34           H        VAL  34   6.141  -3.837   3.475
  247    HA   VAL  34           HA       VAL  34   5.549  -2.693   5.928
  248    HB   VAL  34           HB       VAL  34   5.067  -1.798   3.540
  249   1HG1  VAL  34          2HG1      VAL  34   3.105  -3.423   2.953
  250   2HG1  VAL  34          3HG1      VAL  34   2.178  -2.447   4.061
  251   3HG1  VAL  34          1HG1      VAL  34   2.917  -1.711   2.637
  252   1HG2  VAL  34          3HG2      VAL  34   3.383  -1.143   5.911
  253   2HG2  VAL  34          1HG2      VAL  34   4.922  -0.397   5.344
  254   3HG2  VAL  34          2HG2      VAL  34   3.435  -0.201   4.410
  255    H    CYS  35           H        CYS  35   3.859  -5.118   4.030
  256    HA   CYS  35           HA       CYS  35   1.616  -5.516   5.743
  257   1HB   CYS  35          1HB       CYS  35   3.031  -7.462   3.836
  258   2HB   CYS  35          2HB       CYS  35   1.404  -7.634   4.513
  259    H    ASP  36           H        ASP  36   4.726  -7.353   5.377
  260    HA   ASP  36           HA       ASP  36   4.032  -9.265   7.365
  261   1HB   ASP  36          1HB       ASP  36   5.921  -9.383   5.634
  262   2HB   ASP  36          2HB       ASP  36   6.879  -8.432   6.800
  263    H    LYS  37           H        LYS  37   5.562  -6.167   7.637
  264    HA   LYS  37           HA       LYS  37   6.342  -6.213  10.362
  265   1HB   LYS  37          1HB       LYS  37   7.326  -4.986   8.444
  266   2HB   LYS  37          2HB       LYS  37   5.903  -3.940   8.371
  267   1HG   LYS  37          1HG       LYS  37   6.556  -2.915  10.513
  268   2HG   LYS  37          2HG       LYS  37   7.925  -4.053  10.649
  269   1HD   LYS  37          1HD       LYS  37   8.816  -3.227   8.465
  270   2HD   LYS  37          2HD       LYS  37   7.464  -2.094   8.352
  271   1HE   LYS  37          1HE       LYS  37   8.288  -0.935  10.397
  272   2HE   LYS  37          2HE       LYS  37   9.641  -2.075  10.485
  273   1HZ   LYS  37          2HZ       LYS  37   9.140  -0.202   8.244
  274   2HZ   LYS  37          3HZ       LYS  37  10.283  -0.006   9.406
  275   3HZ   LYS  37          1HZ       LYS  37  10.407  -1.246   8.346
  276    H    LEU  38           H        LEU  38   3.405  -4.979   8.709
  277    HA   LEU  38           HA       LEU  38   2.385  -3.589  11.053
  278   1HB   LEU  38          1HB       LEU  38   1.198  -4.500   8.404
  279   2HB   LEU  38          2HB       LEU  38   0.169  -3.837   9.661
  280    HG   LEU  38           HG       LEU  38   2.542  -2.274   8.564
  281   1HD1  LEU  38          2HD1      LEU  38  -0.379  -2.203   7.659
  282   2HD1  LEU  38          3HD1      LEU  38   0.907  -1.096   7.126
  283   3HD1  LEU  38          1HD1      LEU  38   0.997  -2.808   6.708
  284   1HD2  LEU  38          2HD2      LEU  38   0.028  -1.427  10.071
  285   2HD2  LEU  38          3HD2      LEU  38   1.683  -1.466  10.724
  286   3HD2  LEU  38          1HD2      LEU  38   1.271  -0.338   9.431
  287    H    LYS  39           H        LYS  39   2.155  -4.888  12.828
  288    HA   LYS  39           HA       LYS  39   1.230  -7.633  12.566
  289   1HB   LYS  39          1HB       LYS  39   1.345  -7.718  15.026
  290   2HB   LYS  39          2HB       LYS  39   2.819  -7.043  14.338
  291   1HG   LYS  39          1HG       LYS  39   2.163  -4.777  15.001
  292   2HG   LYS  39          2HG       LYS  39   0.567  -5.341  15.492
  293   1HD   LYS  39          1HD       LYS  39   1.834  -4.980  17.465
  294   2HD   LYS  39          2HD       LYS  39   1.599  -6.721  17.290
  295   1HE   LYS  39          1HE       LYS  39   3.917  -6.951  16.422
  296   2HE   LYS  39          2HE       LYS  39   4.136  -5.199  16.510
  297   1HZ   LYS  39          1HZ       LYS  39   3.880  -5.343  18.913
  298   2HZ   LYS  39          2HZ       LYS  39   3.674  -6.973  18.841
  299   3HZ   LYS  39          3HZ       LYS  39   5.108  -6.305  18.414
  300    H    ILE  40           H        ILE  40  -0.667  -8.427  13.891
  301    HA   ILE  40           HA       ILE  40  -2.863  -8.647  14.201
  302    HB   ILE  40           HB       ILE  40  -3.022  -5.606  14.305
  303   1HG1  ILE  40          1HG1      ILE  40  -3.068  -7.653  16.568
  304   2HG1  ILE  40          2HG1      ILE  40  -1.631  -6.751  16.092
  305   1HG2  ILE  40          2HG2      ILE  40  -5.205  -6.575  13.657
  306   2HG2  ILE  40          3HG2      ILE  40  -5.143  -7.655  15.063
  307   3HG2  ILE  40          1HG2      ILE  40  -5.253  -5.896  15.268
  308   1HD1  ILE  40          1HD1      ILE  40  -2.815  -4.607  16.575
  309   2HD1  ILE  40          2HD1      ILE  40  -4.176  -5.553  17.230
  310   3HD1  ILE  40          3HD1      ILE  40  -2.581  -5.655  17.988
  311    H    LEU  41           H        LEU  41  -2.626  -5.807  12.037
  312    HA   LEU  41           HA       LEU  41  -4.650  -6.930  10.269
  313   1HB   LEU  41          1HB       LEU  41  -4.380  -4.573  11.213
  314   2HB   LEU  41          2HB       LEU  41  -3.063  -4.326  10.095
  315    HG   LEU  41           HG       LEU  41  -5.502  -3.442   9.722
  316   1HD1  LEU  41          3HD1      LEU  41  -3.671  -3.032   8.199
  317   2HD1  LEU  41          1HD1      LEU  41  -3.966  -4.580   7.392
  318   3HD1  LEU  41          2HD1      LEU  41  -5.192  -3.300   7.342
  319   1HD2  LEU  41          2HD2      LEU  41  -6.655  -5.601   9.891
  320   2HD2  LEU  41          3HD2      LEU  41  -6.966  -4.789   8.358
  321   3HD2  LEU  41          1HD2      LEU  41  -5.834  -6.158   8.414
  322    H    ARG  42           H        ARG  42  -1.791  -7.969  10.525
  323    HA   ARG  42           HA       ARG  42  -0.144  -7.604   8.344
  324   1HB   ARG  42          1HB       ARG  42   0.082  -8.886  10.629
  325   2HB   ARG  42          2HB       ARG  42  -0.563 -10.273   9.780
  326   1HG   ARG  42          1HG       ARG  42   1.446 -10.068   8.186
  327   2HG   ARG  42          2HG       ARG  42   2.045  -8.811   9.293
  328   1HD   ARG  42          1HD       ARG  42   1.819 -10.503  11.184
  329   2HD   ARG  42          2HD       ARG  42   1.514 -11.733   9.945
  330    HE   ARG  42           HE       ARG  42   4.003 -10.125   9.746
  331   1HH1  ARG  42          2HH2      ARG  42   2.623 -13.144  11.033
  332   2HH1  ARG  42          1HH2      ARG  42   4.159 -13.928  11.151
  333   1HH2  ARG  42          2HH1      ARG  42   5.998 -11.291   9.697
  334   2HH2  ARG  42          1HH1      ARG  42   6.132 -12.821  10.431
  335    H    GLY  43           H        GLY  43  -2.688 -10.119   8.730
  336   1HA   GLY  43          1HA       GLY  43  -2.203 -11.502   6.314
  337   2HA   GLY  43          2HA       GLY  43  -3.719 -11.520   7.223
  338    H    LEU  44           H        LEU  44  -4.332  -8.648   6.935
  339    HA   LEU  44           HA       LEU  44  -5.761  -8.959   4.473
  340   1HB   LEU  44          1HB       LEU  44  -6.485  -7.738   6.572
  341   2HB   LEU  44          2HB       LEU  44  -5.475  -6.381   6.071
  342    HG   LEU  44           HG       LEU  44  -7.480  -7.530   4.100
  343   1HD1  LEU  44          3HD1      LEU  44  -8.229  -5.730   6.440
  344   2HD1  LEU  44          1HD1      LEU  44  -9.264  -6.067   5.039
  345   3HD1  LEU  44          2HD1      LEU  44  -8.806  -7.376   6.131
  346   1HD2  LEU  44          2HD2      LEU  44  -5.968  -5.665   3.417
  347   2HD2  LEU  44          3HD2      LEU  44  -7.670  -5.203   3.369
  348   3HD2  LEU  44          1HD2      LEU  44  -6.640  -4.664   4.708
  349    H    CYS  45           H        CYS  45  -2.998  -6.777   5.420
  350    HA   CYS  45           HA       CYS  45  -2.504  -5.686   2.951
  351   1HB   CYS  45          1HB       CYS  45  -1.530  -5.144   5.189
  352   2HB   CYS  45          2HB       CYS  45  -0.499  -6.548   5.053
  353    H    LYS  46           H        LYS  46  -1.303  -8.930   4.140
  354    HA   LYS  46           HA       LYS  46   0.182  -9.541   1.783
  355   1HB   LYS  46          1HB       LYS  46  -1.292 -11.338   3.703
  356   2HB   LYS  46          2HB       LYS  46  -0.624 -11.997   2.237
  357   1HG   LYS  46          1HG       LYS  46   0.668 -12.254   4.415
  358   2HG   LYS  46          2HG       LYS  46   1.543 -11.858   2.941
  359   1HD   LYS  46          1HD       LYS  46   2.028  -9.669   3.639
  360   2HD   LYS  46          2HD       LYS  46   0.777  -9.713   4.885
  361   1HE   LYS  46          1HE       LYS  46   2.752  -9.853   6.087
  362   2HE   LYS  46          2HE       LYS  46   2.092 -11.482   6.106
  363   1HZ   LYS  46          3HZ       LYS  46   4.345 -10.550   4.413
  364   2HZ   LYS  46          1HZ       LYS  46   4.464 -11.446   5.765
  365   3HZ   LYS  46          2HZ       LYS  46   3.753 -12.098   4.440
  366    H    LYS  47           H        LYS  47  -3.406  -9.957   2.296
  367    HA   LYS  47           HA       LYS  47  -3.720 -10.969  -0.391
  368   1HB   LYS  47          1HB       LYS  47  -5.601 -11.319   1.076
  369   2HB   LYS  47          2HB       LYS  47  -5.807  -9.574   1.342
  370   1HG   LYS  47          1HG       LYS  47  -6.438  -9.198  -0.963
  371   2HG   LYS  47          2HG       LYS  47  -5.951 -10.832  -1.438
  372   1HD   LYS  47          1HD       LYS  47  -7.866 -11.802  -0.364
  373   2HD   LYS  47          2HD       LYS  47  -8.246 -10.287   0.459
  374   1HE   LYS  47          1HE       LYS  47  -9.772 -10.650  -1.419
  375   2HE   LYS  47          2HE       LYS  47  -8.821  -9.182  -1.636
  376   1HZ   LYS  47          2HZ       LYS  47  -8.186 -11.742  -2.986
  377   2HZ   LYS  47          3HZ       LYS  47  -9.078 -10.543  -3.651
  378   3HZ   LYS  47          1HZ       LYS  47  -7.524 -10.258  -3.319
  379    H    ILE  48           H        ILE  48  -3.874  -7.580   0.890
  380    HA   ILE  48           HA       ILE  48  -4.783  -6.426  -1.523
  381    HB   ILE  48           HB       ILE  48  -3.061  -5.331   0.721
  382   1HG1  ILE  48          1HG1      ILE  48  -5.427  -5.935   1.235
  383   2HG1  ILE  48          2HG1      ILE  48  -5.020  -4.250   1.521
  384   1HG2  ILE  48          3HG2      ILE  48  -4.124  -3.758  -1.648
  385   2HG2  ILE  48          1HG2      ILE  48  -3.588  -3.027  -0.117
  386   3HG2  ILE  48          2HG2      ILE  48  -2.444  -3.927  -1.111
  387   1HD1  ILE  48          1HD1      ILE  48  -6.587  -5.294  -0.878
  388   2HD1  ILE  48          2HD1      ILE  48  -7.263  -4.508   0.557
  389   3HD1  ILE  48          3HD1      ILE  48  -6.221  -3.586  -0.533
  390    H    MET  49           H        MET  49  -1.405  -7.042  -0.458
  391    HA   MET  49           HA       MET  49  -0.300  -6.039  -2.920
  392   1HB   MET  49          1HB       MET  49   0.956  -7.995  -0.952
  393   2HB   MET  49          2HB       MET  49   1.791  -7.087  -2.221
  394   1HG   MET  49          1HG       MET  49   0.397  -6.009   0.233
  395   2HG   MET  49          2HG       MET  49   2.118  -5.921  -0.135
  396   1HE   MET  49          2HE       MET  49   1.520  -3.434   0.915
  397   2HE   MET  49          3HE       MET  49   0.542  -2.229   0.052
  398   3HE   MET  49          1HE       MET  49  -0.242  -3.638   0.798
  399    H    ARG  50           H        ARG  50  -0.860  -9.519  -1.907
  400    HA   ARG  50           HA       ARG  50   0.139 -10.528  -4.363
  401   1HB   ARG  50          1HB       ARG  50  -0.467 -11.704  -2.141
  402   2HB   ARG  50          2HB       ARG  50  -2.097 -11.839  -2.754
  403   1HG   ARG  50          1HG       ARG  50   0.382 -13.029  -4.100
  404   2HG   ARG  50          2HG       ARG  50  -0.638 -13.861  -2.949
  405   1HD   ARG  50          1HD       ARG  50  -1.586 -14.744  -4.766
  406   2HD   ARG  50          2HD       ARG  50  -2.568 -13.288  -4.709
  407    HE   ARG  50           HE       ARG  50  -1.291 -12.318  -6.443
  408   1HH1  ARG  50          2HH2      ARG  50  -0.401 -15.746  -5.983
  409   2HH1  ARG  50          1HH2      ARG  50   0.252 -15.931  -7.564
  410   1HH2  ARG  50          2HH1      ARG  50  -0.432 -12.573  -8.531
  411   2HH2  ARG  50          1HH1      ARG  50   0.243 -14.068  -9.054
  412    H    SER  51           H        SER  51  -3.042  -9.325  -3.528
  413    HA   SER  51           HA       SER  51  -4.367 -10.217  -5.952
  414   1HB   SER  51          1HB       SER  51  -5.292  -9.908  -3.571
  415   2HB   SER  51          2HB       SER  51  -5.319  -8.170  -3.907
  416    HG   SER  51           HG       SER  51  -6.720  -8.732  -5.684
  417    H    PHE  52           H        PHE  52  -2.819  -7.080  -4.895
  418    HA   PHE  52           HA       PHE  52  -3.424  -6.005  -7.608
  419   1HB   PHE  52          1HB       PHE  52  -3.782  -4.422  -5.049
  420   2HB   PHE  52          2HB       PHE  52  -4.315  -4.001  -6.662
  421    HD1  PHE  52           HD1      PHE  52  -6.094  -5.794  -7.717
  422    HD2  PHE  52           HD2      PHE  52  -5.431  -4.988  -3.534
  423    HE1  PHE  52           HE1      PHE  52  -8.408  -6.515  -7.211
  424    HE2  PHE  52           HE2      PHE  52  -7.759  -5.700  -3.033
  425    HZ   PHE  52           HZ       PHE  52  -9.253  -6.457  -4.875
  426    H    LEU  53           H        LEU  53  -0.791  -6.922  -6.427
  427    HA   LEU  53           HA       LEU  53   0.704  -4.934  -5.411
  428   1HB   LEU  53          1HB       LEU  53   1.426  -7.305  -5.757
  429   2HB   LEU  53          2HB       LEU  53   1.779  -6.946  -7.433
  430    HG   LEU  53           HG       LEU  53   3.618  -5.512  -6.818
  431   1HD1  LEU  53          1HD1      LEU  53   2.653  -5.772  -3.927
  432   2HD1  LEU  53          2HD1      LEU  53   4.247  -5.146  -4.394
  433   3HD1  LEU  53          3HD1      LEU  53   2.801  -4.280  -4.886
  434   1HD2  LEU  53          3HD2      LEU  53   3.980  -7.966  -6.741
  435   2HD2  LEU  53          1HD2      LEU  53   5.000  -7.158  -5.550
  436   3HD2  LEU  53          2HD2      LEU  53   3.536  -7.988  -5.016
  437    H    ARG  54           H        ARG  54   0.692  -5.556  -8.955
  438    HA   ARG  54           HA       ARG  54   2.211  -3.342  -9.737
  439   1HB   ARG  54          1HB       ARG  54   1.352  -5.256 -11.201
  440   2HB   ARG  54          2HB       ARG  54  -0.217  -4.453 -11.219
  441   1HG   ARG  54          1HG       ARG  54   0.821  -3.856 -13.260
  442   2HG   ARG  54          2HG       ARG  54   0.962  -2.420 -12.250
  443   1HD   ARG  54          1HD       ARG  54   3.313  -3.368 -11.610
  444   2HD   ARG  54          2HD       ARG  54   3.103  -4.450 -13.000
  445    HE   ARG  54           HE       ARG  54   2.569  -1.801 -13.848
  446   1HH1  ARG  54          2HH2      ARG  54   5.414  -3.693 -12.701
  447   2HH1  ARG  54          1HH2      ARG  54   6.432  -2.290 -12.934
  448   1HH2  ARG  54          2HH1      ARG  54   4.191  -0.098 -14.271
  449   2HH2  ARG  54          1HH1      ARG  54   5.784  -0.457 -13.682
  450    H    ARG  55           H        ARG  55  -1.244  -3.246  -8.599
  451    HA   ARG  55           HA       ARG  55  -1.575  -0.575  -9.633
  452   1HB   ARG  55          1HB       ARG  55  -3.163  -2.376  -7.773
  453   2HB   ARG  55          2HB       ARG  55  -3.555  -0.716  -7.948
  454   1HG   ARG  55          1HG       ARG  55  -3.480  -2.653 -10.275
  455   2HG   ARG  55          2HG       ARG  55  -4.905  -2.427  -9.288
  456   1HD   ARG  55          1HD       ARG  55  -3.790   0.030 -10.621
  457   2HD   ARG  55          2HD       ARG  55  -4.525  -1.191 -11.648
  458    HE   ARG  55           HE       ARG  55  -6.442  -0.933  -9.786
  459   1HH1  ARG  55          2HH2      ARG  55  -4.865   1.599 -11.757
  460   2HH1  ARG  55          1HH2      ARG  55  -6.197   2.688 -11.539
  461   1HH2  ARG  55          2HH1      ARG  55  -8.236   0.646  -9.607
  462   2HH2  ARG  55          1HH1      ARG  55  -7.934   2.222 -10.142
  463    H    ILE  56           H        ILE  56  -0.791  -2.117  -6.401
  464    HA   ILE  56           HA       ILE  56  -0.866   0.332  -5.001
  465    HB   ILE  56           HB       ILE  56   0.859  -2.077  -4.339
  466   1HG1  ILE  56          1HG1      ILE  56  -1.269  -3.016  -4.381
  467   2HG1  ILE  56          2HG1      ILE  56  -1.110  -2.539  -2.717
  468   1HG2  ILE  56          2HG2      ILE  56  -0.150   0.227  -2.620
  469   2HG2  ILE  56          3HG2      ILE  56   0.624  -1.247  -1.990
  470   3HG2  ILE  56          1HG2      ILE  56   1.533  -0.154  -3.017
  471   1HD1  ILE  56          1HD1      ILE  56  -2.468  -0.449  -3.260
  472   2HD1  ILE  56          2HD1      ILE  56  -2.764  -1.149  -4.865
  473   3HD1  ILE  56          3HD1      ILE  56  -3.335  -1.993  -3.427
  474    H    SER  57           H        SER  57   1.752  -0.910  -7.075
  475    HA   SER  57           HA       SER  57   3.627   1.084  -6.209
  476   1HB   SER  57          1HB       SER  57   4.346  -0.936  -7.461
  477   2HB   SER  57          2HB       SER  57   3.312  -0.488  -8.832
  478    HG   SER  57           HG       SER  57   5.172   0.248  -9.484
  479    H    TRP  58           H        TRP  58   1.504   1.014  -9.155
  480    HA   TRP  58           HA       TRP  58   1.851   3.623 -10.056
  481   1HB   TRP  58          1HB       TRP  58   0.402   2.638 -11.487
  482   2HB   TRP  58          2HB       TRP  58  -0.301   1.612 -10.256
  483    HD1  TRP  58           HD1      TRP  58  -0.631   5.297 -11.415
  484    HE1  TRP  58           HE1      TRP  58  -2.962   6.144 -10.921
  485    HE3  TRP  58           HE3      TRP  58  -2.452   1.199  -9.089
  486    HZ2  TRP  58           HZ2      TRP  58  -5.403   5.104  -9.531
  487    HZ3  TRP  58           HZ3      TRP  58  -4.598   1.167  -8.017
  488    HH2  TRP  58           HH2      TRP  58  -6.152   3.017  -8.215
  489    H    ASP  59           H        ASP  59  -0.275   2.517  -7.454
  490    HA   ASP  59           HA       ASP  59  -1.552   4.931  -6.854
  491   1HB   ASP  59          1HB       ASP  59  -0.816   2.545  -5.083
  492   2HB   ASP  59          2HB       ASP  59  -1.638   3.923  -4.445
  493    HD1  ASP  59           HD2      ASP  59  -4.114   3.298  -7.132
  494    H    ILE  60           H        ILE  60   1.473   3.689  -5.242
  495    HA   ILE  60           HA       ILE  60   1.749   6.103  -3.732
  496    HB   ILE  60           HB       ILE  60   4.032   4.224  -4.390
  497   1HG1  ILE  60          1HG1      ILE  60   2.744   2.647  -3.339
  498   2HG1  ILE  60          2HG1      ILE  60   3.460   3.409  -1.935
  499   1HG2  ILE  60          1HG2      ILE  60   4.602   6.419  -3.366
  500   2HG2  ILE  60          2HG2      ILE  60   3.422   6.140  -2.074
  501   3HG2  ILE  60          3HG2      ILE  60   4.859   5.122  -2.208
  502   1HD1  ILE  60          1HD1      ILE  60   1.282   4.722  -1.730
  503   2HD1  ILE  60          2HD1      ILE  60   0.625   3.581  -2.945
  504   3HD1  ILE  60          3HD1      ILE  60   1.238   2.963  -1.418
  505    H    LEU  61           H        LEU  61   3.199   4.965  -6.807
  506    HA   LEU  61           HA       LEU  61   5.002   7.081  -7.203
  507   1HB   LEU  61          1HB       LEU  61   3.525   5.342  -9.214
  508   2HB   LEU  61          2HB       LEU  61   4.842   6.426  -9.651
  509    HG   LEU  61           HG       LEU  61   5.168   4.160  -7.637
  510   1HD1  LEU  61          3HD1      LEU  61   4.548   3.270  -9.857
  511   2HD1  LEU  61          1HD1      LEU  61   5.852   4.220 -10.611
  512   3HD1  LEU  61          2HD1      LEU  61   6.225   2.916  -9.462
  513   1HD2  LEU  61          1HD2      LEU  61   6.881   5.940  -7.437
  514   2HD2  LEU  61          2HD2      LEU  61   7.553   4.435  -8.047
  515   3HD2  LEU  61          3HD2      LEU  61   7.249   5.782  -9.164
  516    H    THR  62           H        THR  62   1.561   6.918  -8.173
  517    HA   THR  62           HA       THR  62   1.721   9.587  -9.412
  518    HB   THR  62           HB       THR  62  -0.757   9.321  -9.676
  519    HG1  THR  62           HG1      THR  62  -0.254   6.689  -8.718
  520   1HG2  THR  62          3HG2      THR  62   0.847   8.707 -11.441
  521   2HG2  THR  62          1HG2      THR  62   0.937   7.056 -10.801
  522   3HG2  THR  62          2HG2      THR  62  -0.594   7.684 -11.466
  523    H    GLY  63           H        GLY  63   2.245   8.960  -6.411
  524   1HA   GLY  63          1HA       GLY  63   1.787   9.682  -4.336
  525   2HA   GLY  63          2HA       GLY  63   1.706  11.270  -5.125
  526    H    LYS  64           H        LYS  64  -0.530   8.391  -5.295
  527    HA   LYS  64           HA       LYS  64  -2.716  10.367  -5.094
  528   1HB   LYS  64          1HB       LYS  64  -2.709   8.433  -6.678
  529   2HB   LYS  64          2HB       LYS  64  -2.635   7.314  -5.332
  530   1HG   LYS  64          1HG       LYS  64  -4.849   7.133  -5.517
  531   2HG   LYS  64          2HG       LYS  64  -4.953   8.700  -4.736
  532   1HD   LYS  64          1HD       LYS  64  -6.375   8.650  -6.663
  533   2HD   LYS  64          2HD       LYS  64  -5.044   9.771  -7.011
  534   1HE   LYS  64          1HE       LYS  64  -3.990   8.231  -8.495
  535   2HE   LYS  64          2HE       LYS  64  -4.898   6.852  -7.857
  536   1HZ   LYS  64          1HZ       LYS  64  -6.291   9.014  -9.304
  537   2HZ   LYS  64          2HZ       LYS  64  -5.661   7.692 -10.062
  538   3HZ   LYS  64          3HZ       LYS  64  -6.806   7.470  -8.971
  539    H    LYS  65           H        LYS  65  -4.074  10.468  -3.306
  540    HA   LYS  65           HA       LYS  65  -2.667   9.772  -0.844
  541   1HB   LYS  65          1HB       LYS  65  -5.311  11.197  -1.286
  542   2HB   LYS  65          2HB       LYS  65  -4.552  11.054   0.293
  543   1HG   LYS  65          1HG       LYS  65  -3.108  12.322  -2.097
  544   2HG   LYS  65          2HG       LYS  65  -4.175  13.217  -1.052
  545   1HD   LYS  65          1HD       LYS  65  -1.826  13.586  -0.507
  546   2HD   LYS  65          2HD       LYS  65  -2.770  12.981   0.836
  547   1HE   LYS  65          1HE       LYS  65  -0.587  12.008   0.937
  548   2HE   LYS  65          2HE       LYS  65  -1.743  10.746   0.610
  549   1HZ   LYS  65          1HZ       LYS  65  -0.982  10.918  -1.792
  550   2HZ   LYS  65          2HZ       LYS  65   0.248  11.867  -1.242
  551   3HZ   LYS  65          3HZ       LYS  65   0.052  10.337  -0.651
  552    HA   PRO  66           HA       PRO  66  -4.115   5.903   0.094
  553   1HB   PRO  66          1HB       PRO  66  -4.813   5.934   2.788
  554   2HB   PRO  66          2HB       PRO  66  -3.148   5.903   2.157
  555   1HG   PRO  66          1HG       PRO  66  -4.739   8.331   3.012
  556   2HG   PRO  66          2HG       PRO  66  -3.043   7.901   3.395
  557   1HD   PRO  66          1HD       PRO  66  -3.501   9.636   1.467
  558   2HD   PRO  66          2HD       PRO  66  -2.300   8.333   1.194
  559    H    GLN  67           H        GLN  67  -6.387   8.233   1.580
  560    HA   GLN  67           HA       GLN  67  -8.662   6.572   1.626
  561   1HB   GLN  67          1HB       GLN  67  -8.149   9.006   2.592
  562   2HB   GLN  67          2HB       GLN  67  -8.732   9.560   1.033
  563   1HG   GLN  67          1HG       GLN  67 -10.595   9.670   2.482
  564   2HG   GLN  67          2HG       GLN  67 -10.884   8.245   1.479
  565   1HE2  GLN  67          2HE2      GLN  67 -11.503   6.512   4.534
  566   2HE2  GLN  67          1HE2      GLN  67 -12.122   7.003   2.974
  567    H    ALA  68           H        ALA  68  -7.266   8.497  -1.037
  568    HA   ALA  68           HA       ALA  68  -9.544   8.025  -2.805
  569   1HB   ALA  68          1HB       ALA  68  -6.781   9.222  -3.316
  570   2HB   ALA  68          2HB       ALA  68  -8.136   9.194  -4.463
  571   3HB   ALA  68          3HB       ALA  68  -8.275  10.126  -2.962
  572    H    ILE  69           H        ILE  69  -6.261   6.620  -2.261
  573    HA   ILE  69           HA       ILE  69  -6.177   4.936  -4.539
  574    HB   ILE  69           HB       ILE  69  -5.032   4.649  -1.730
  575   1HG1  ILE  69          1HG1      ILE  69  -3.648   5.139  -4.385
  576   2HG1  ILE  69          2HG1      ILE  69  -4.205   6.432  -3.381
  577   1HG2  ILE  69          2HG2      ILE  69  -4.825   2.719  -4.056
  578   2HG2  ILE  69          3HG2      ILE  69  -3.593   2.777  -2.787
  579   3HG2  ILE  69          1HG2      ILE  69  -5.254   2.378  -2.375
  580   1HD1  ILE  69          2HD1      ILE  69  -2.238   4.387  -2.304
  581   2HD1  ILE  69          3HD1      ILE  69  -1.756   5.844  -3.171
  582   3HD1  ILE  69          1HD1      ILE  69  -2.669   5.993  -1.668
  583    H    CYS  70           H        CYS  70  -7.385   4.138  -1.263
  584    HA   CYS  70           HA       CYS  70  -8.595   1.611  -1.811
  585   1HB   CYS  70          1HB       CYS  70  -9.525   3.850   0.083
  586   2HB   CYS  70          2HB       CYS  70  -9.819   2.128   0.285
  587    H    VAL  71           H        VAL  71 -10.014   4.964  -2.435
  588    HA   VAL  71           HA       VAL  71 -12.537   3.714  -3.239
  589    HB   VAL  71           HB       VAL  71 -11.390   6.478  -3.719
  590   1HG1  VAL  71          2HG1      VAL  71 -14.177   5.422  -4.407
  591   2HG1  VAL  71          3HG1      VAL  71 -13.678   7.124  -4.448
  592   3HG1  VAL  71          1HG1      VAL  71 -12.957   5.967  -5.570
  593   1HG2  VAL  71          2HG2      VAL  71 -12.068   5.893  -1.359
  594   2HG2  VAL  71          3HG2      VAL  71 -13.089   7.145  -2.072
  595   3HG2  VAL  71          1HG2      VAL  71 -13.688   5.483  -1.957
  596    H    ASP  72           H        ASP  72  -9.672   4.915  -5.110
  597    HA   ASP  72           HA       ASP  72 -10.590   4.409  -7.674
  598   1HB   ASP  72          1HB       ASP  72  -8.594   5.726  -6.850
  599   2HB   ASP  72          2HB       ASP  72  -7.707   4.215  -6.723
  600    H    ILE  73           H        ILE  73  -8.676   2.167  -5.631
  601    HA   ILE  73           HA       ILE  73  -9.038   0.011  -7.644
  602    HB   ILE  73           HB       ILE  73  -7.735  -1.335  -5.866
  603   1HG1  ILE  73          1HG1      ILE  73  -6.634   1.359  -5.120
  604   2HG1  ILE  73          2HG1      ILE  73  -7.958   0.643  -4.169
  605   1HG2  ILE  73          1HG2      ILE  73  -6.629   0.787  -7.619
  606   2HG2  ILE  73          2HG2      ILE  73  -5.631  -0.491  -6.857
  607   3HG2  ILE  73          3HG2      ILE  73  -6.923  -0.939  -7.979
  608   1HD1  ILE  73          3HD1      ILE  73  -6.522  -1.399  -3.891
  609   2HD1  ILE  73          1HD1      ILE  73  -5.199  -0.463  -4.625
  610   3HD1  ILE  73          2HD1      ILE  73  -5.946   0.086  -3.096
  611    H    LYS  74           H        LYS  74 -10.947   1.232  -5.419
  612    HA   LYS  74           HA       LYS  74 -12.930   0.796  -4.633
  613   1HB   LYS  74          1HB       LYS  74 -13.198   0.061  -7.002
  614   2HB   LYS  74          2HB       LYS  74 -13.008  -1.624  -6.448
  615   1HG   LYS  74          1HG       LYS  74 -14.824  -1.134  -4.761
  616   2HG   LYS  74          2HG       LYS  74 -15.070   0.405  -5.527
  617   1HD   LYS  74          1HD       LYS  74 -15.621  -2.334  -6.626
  618   2HD   LYS  74          2HD       LYS  74 -16.769  -1.031  -6.399
  619   1HE   LYS  74          1HE       LYS  74 -14.543  -1.068  -8.500
  620   2HE   LYS  74          2HE       LYS  74 -16.235  -1.501  -8.787
  621   1HZ   LYS  74          1HZ       LYS  74 -16.769   0.819  -7.992
  622   2HZ   LYS  74          2HZ       LYS  74 -15.273   1.200  -8.000
  623   3HZ   LYS  74          3HZ       LYS  74 -15.956   0.781  -9.442
  624    H    ILE  75           H        ILE  75 -11.896   0.526  -2.721
  625    HA   ILE  75           HA       ILE  75 -11.973  -2.190  -1.430
  626    HB   ILE  75           HB       ILE  75 -10.326   0.299  -0.685
  627   1HG1  ILE  75          1HG1      ILE  75  -9.581  -0.278  -2.959
  628   2HG1  ILE  75          2HG1      ILE  75  -8.340  -0.501  -1.747
  629   1HG2  ILE  75          1HG2      ILE  75 -10.249  -2.626   0.065
  630   2HG2  ILE  75          2HG2      ILE  75  -8.803  -1.638   0.216
  631   3HG2  ILE  75          3HG2      ILE  75 -10.263  -1.178   1.107
  632   1HD1  ILE  75          2HD1      ILE  75 -10.004  -2.764  -2.755
  633   2HD1  ILE  75          3HD1      ILE  75  -8.513  -2.188  -3.545
  634   3HD1  ILE  75          1HD1      ILE  75  -8.434  -2.793  -1.864
  635    H    CYS  76           H        CYS  76 -12.859   1.231  -1.313
  636    HA   CYS  76           HA       CYS  76 -13.331   1.248   1.528
  637   1HB   CYS  76          1HB       CYS  76 -12.299   3.111   0.175
  638   2HB   CYS  76          2HB       CYS  76 -13.864   3.425  -0.530
  639    H    LYS  77           H        LYS  77 -15.490   3.093  -0.273
  640    HA   LYS  77           HA       LYS  77 -17.960   1.853  -0.370
  641   1HB   LYS  77          1HB       LYS  77 -17.958   2.192   2.157
  642   2HB   LYS  77          2HB       LYS  77 -17.536   3.876   1.909
  643   1HG   LYS  77          1HG       LYS  77 -20.171   2.487   1.252
  644   2HG   LYS  77          2HG       LYS  77 -19.887   3.810   2.389
  645   1HD   LYS  77          1HD       LYS  77 -19.251   5.247   0.402
  646   2HD   LYS  77          2HD       LYS  77 -19.786   3.870  -0.611
  647   1HE   LYS  77          1HE       LYS  77 -22.083   4.267   0.088
  648   2HE   LYS  77          2HE       LYS  77 -21.528   5.713   0.978
  649   1HZ   LYS  77          2HZ       LYS  77 -20.481   6.419  -1.208
  650   2HZ   LYS  77          3HZ       LYS  77 -21.077   5.197  -1.922
  651   3HZ   LYS  77          1HZ       LYS  77 -22.146   6.327  -1.332
  652    H    GLU  78           H        GLU  78 -17.434   2.682  -2.488
  653    HA   GLU  78           HA       GLU  78 -16.610   5.433  -2.918
  654   1HB   GLU  78          1HB       GLU  78 -18.265   3.741  -4.827
  655   2HB   GLU  78          2HB       GLU  78 -17.052   4.956  -5.200
  656   1HG   GLU  78          1HG       GLU  78 -15.261   3.332  -4.542
  657   2HG   GLU  78          2HG       GLU  78 -16.492   2.150  -4.105
   
  No H/Q in entry =         657
  Start of MODEL    4
    1   1H    GLY   1          2H        GLY   1 -15.670  -2.352   2.678
    2   2H    GLY   1          3H        GLY   1 -16.549  -3.728   2.676
    3   3H    GLY   1          1H        GLY   1 -17.279  -2.256   2.420
    4   1HA   GLY   1          1HA       GLY   1 -17.037  -1.546   4.561
    5   2HA   GLY   1          2HA       GLY   1 -17.693  -3.207   4.625
    6    H    TYR   2           H        TYR   2 -15.921  -1.523   6.561
    7    HA   TYR   2           HA       TYR   2 -14.126  -1.582   7.899
    8   1HB   TYR   2          1HB       TYR   2 -14.854  -3.737   8.657
    9   2HB   TYR   2          2HB       TYR   2 -14.144  -4.539   7.268
   10    HD1  TYR   2           HD1      TYR   2 -12.447  -1.936   9.473
   11    HD2  TYR   2           HD2      TYR   2 -12.728  -6.091   8.311
   12    HE1  TYR   2           HE1      TYR   2 -10.448  -2.442  10.798
   13    HE2  TYR   2           HE2      TYR   2 -10.731  -6.601   9.651
   14    HH   TYR   2           HH       TYR   2  -9.327  -5.754  11.366
   15    H    PHE   3           H        PHE   3 -13.385  -3.465   5.017
   16    HA   PHE   3           HA       PHE   3 -10.840  -3.183   4.470
   17   1HB   PHE   3          1HB       PHE   3 -13.286  -2.733   2.734
   18   2HB   PHE   3          2HB       PHE   3 -11.688  -2.681   2.057
   19    HD1  PHE   3           HD1      PHE   3 -10.049  -4.653   2.808
   20    HD2  PHE   3           HD2      PHE   3 -14.344  -4.839   2.478
   21    HE1  PHE   3           HE1      PHE   3  -9.928  -7.125   2.564
   22    HE2  PHE   3           HE2      PHE   3 -14.227  -7.296   2.265
   23    HZ   PHE   3           HZ       PHE   3 -12.028  -8.436   2.321
   24    H    CYS   4           H        CYS   4 -13.046  -0.320   4.032
   25    HA   CYS   4           HA       CYS   4 -11.128   1.260   2.823
   26   1HB   CYS   4          1HB       CYS   4 -13.533   2.089   3.194
   27   2HB   CYS   4          2HB       CYS   4 -13.177   2.223   4.902
   28    H    GLU   5           H        GLU   5 -11.717   0.984   6.362
   29    HA   GLU   5           HA       GLU   5  -9.844   2.990   7.180
   30   1HB   GLU   5          1HB       GLU   5 -11.678   2.240   8.596
   31   2HB   GLU   5          2HB       GLU   5 -11.122   0.576   8.575
   32   1HG   GLU   5          1HG       GLU   5  -9.577   2.894   9.811
   33   2HG   GLU   5          2HG       GLU   5 -10.674   1.840  10.703
   34    H    SER   6           H        SER   6  -9.696  -0.597   7.281
   35    HA   SER   6           HA       SER   6  -6.966  -0.562   7.969
   36   1HB   SER   6          1HB       SER   6  -8.819  -2.712   6.999
   37   2HB   SER   6          2HB       SER   6  -7.080  -3.043   7.168
   38    HG   SER   6           HG       SER   6  -8.634  -1.771   9.216
   39    H    CYS   7           H        CYS   7  -8.367  -0.626   4.685
   40    HA   CYS   7           HA       CYS   7  -5.900  -1.033   3.288
   41   1HB   CYS   7          1HB       CYS   7  -8.106  -1.258   2.298
   42   2HB   CYS   7          2HB       CYS   7  -8.429   0.454   2.505
   43    H    ARG   8           H        ARG   8  -7.631   1.957   4.390
   44    HA   ARG   8           HA       ARG   8  -5.748   3.781   3.339
   45   1HB   ARG   8          1HB       ARG   8  -8.008   4.424   4.291
   46   2HB   ARG   8          2HB       ARG   8  -7.373   4.102   5.911
   47   1HG   ARG   8          1HG       ARG   8  -5.480   5.791   5.253
   48   2HG   ARG   8          2HG       ARG   8  -6.575   6.275   3.955
   49   1HD   ARG   8          1HD       ARG   8  -8.250   6.963   5.582
   50   2HD   ARG   8          2HD       ARG   8  -7.309   6.273   6.905
   51    HE   ARG   8           HE       ARG   8  -5.439   7.871   6.128
   52   1HH1  ARG   8          2HH2      ARG   8  -8.858   8.931   5.971
   53   2HH1  ARG   8          1HH2      ARG   8  -8.489  10.490   6.602
   54   1HH2  ARG   8          2HH1      ARG   8  -4.956   9.866   6.663
   55   2HH2  ARG   8          1HH1      ARG   8  -6.147  11.101   6.935
   56    H    LYS   9           H        LYS   9  -5.929   2.277   6.594
   57    HA   LYS   9           HA       LYS   9  -3.557   3.281   7.713
   58   1HB   LYS   9          1HB       LYS   9  -5.346   2.180   8.914
   59   2HB   LYS   9          2HB       LYS   9  -5.081   0.683   8.040
   60   1HG   LYS   9          1HG       LYS   9  -2.950   0.315   9.189
   61   2HG   LYS   9          2HG       LYS   9  -3.079   1.907   9.964
   62   1HD   LYS   9          1HD       LYS   9  -3.796   0.239  11.577
   63   2HD   LYS   9          2HD       LYS   9  -5.193   1.187  11.069
   64   1HE   LYS   9          1HE       LYS   9  -5.363  -0.839   9.259
   65   2HE   LYS   9          2HE       LYS   9  -4.525  -1.707  10.547
   66   1HZ   LYS   9          1HZ       LYS   9  -7.072  -0.218  10.802
   67   2HZ   LYS   9          2HZ       LYS   9  -7.017  -1.802  10.602
   68   3HZ   LYS   9          3HZ       LYS   9  -6.421  -1.116  12.002
   69    H    ILE  10           H        ILE  10  -4.011   0.397   5.637
   70    HA   ILE  10           HA       ILE  10  -1.356  -0.575   5.751
   71    HB   ILE  10           HB       ILE  10  -3.685  -0.958   3.866
   72   1HG1  ILE  10          1HG1      ILE  10  -2.117  -2.956   5.537
   73   2HG1  ILE  10          2HG1      ILE  10  -3.407  -2.008   6.227
   74   1HG2  ILE  10          2HG2      ILE  10  -0.898  -2.079   3.512
   75   2HG2  ILE  10          3HG2      ILE  10  -2.337  -2.810   2.767
   76   3HG2  ILE  10          1HG2      ILE  10  -1.860  -1.179   2.322
   77   1HD1  ILE  10          2HD1      ILE  10  -3.807  -3.907   3.867
   78   2HD1  ILE  10          3HD1      ILE  10  -4.198  -4.264   5.536
   79   3HD1  ILE  10          1HD1      ILE  10  -5.064  -2.974   4.694
   80    H    ILE  11           H        ILE  11  -2.846   1.584   3.195
   81    HA   ILE  11           HA       ILE  11  -0.240   1.978   2.042
   82    HB   ILE  11           HB       ILE  11  -2.805   3.443   1.553
   83   1HG1  ILE  11          1HG1      ILE  11  -1.593   2.454  -0.833
   84   2HG1  ILE  11          2HG1      ILE  11  -1.273   1.191   0.340
   85   1HG2  ILE  11          1HG2      ILE  11  -0.041   4.039   0.382
   86   2HG2  ILE  11          2HG2      ILE  11  -1.560   4.667  -0.260
   87   3HG2  ILE  11          3HG2      ILE  11  -1.018   5.163   1.327
   88   1HD1  ILE  11          3HD1      ILE  11  -3.986   2.398  -0.284
   89   2HD1  ILE  11          1HD1      ILE  11  -3.359   0.839  -0.876
   90   3HD1  ILE  11          2HD1      ILE  11  -3.668   1.065   0.864
   91    H    GLN  12           H        GLN  12  -2.016   3.801   4.584
   92    HA   GLN  12           HA       GLN  12  -0.406   6.096   4.597
   93   1HB   GLN  12          1HB       GLN  12  -1.735   4.607   6.892
   94   2HB   GLN  12          2HB       GLN  12  -0.868   6.105   7.164
   95   1HG   GLN  12          1HG       GLN  12  -3.045   6.023   5.068
   96   2HG   GLN  12          2HG       GLN  12  -3.468   6.077   6.774
   97   1HE2  GLN  12          2HE2      GLN  12  -1.298   9.428   5.837
   98   2HE2  GLN  12          1HE2      GLN  12  -0.531   7.880   5.756
   99    H    LYS  13           H        LYS  13   0.254   2.994   6.398
  100    HA   LYS  13           HA       LYS  13   2.725   4.108   7.387
  101   1HB   LYS  13          1HB       LYS  13   1.208   2.292   8.410
  102   2HB   LYS  13          2HB       LYS  13   2.018   1.173   7.327
  103   1HG   LYS  13          1HG       LYS  13   3.213   2.791   9.596
  104   2HG   LYS  13          2HG       LYS  13   2.893   1.089   9.574
  105   1HD   LYS  13          1HD       LYS  13   5.083   0.917   9.366
  106   2HD   LYS  13          2HD       LYS  13   4.734   1.070   7.656
  107   1HE   LYS  13          1HE       LYS  13   6.672   2.437   8.361
  108   2HE   LYS  13          2HE       LYS  13   5.396   3.458   7.728
  109   1HZ   LYS  13          3HZ       LYS  13   6.017   3.202  10.612
  110   2HZ   LYS  13          1HZ       LYS  13   6.375   4.428   9.534
  111   3HZ   LYS  13          2HZ       LYS  13   4.890   4.222   9.851
  112    H    LEU  14           H        LEU  14   1.787   2.435   4.401
  113    HA   LEU  14           HA       LEU  14   4.425   1.640   3.527
  114   1HB   LEU  14          1HB       LEU  14   2.473   0.723   2.382
  115   2HB   LEU  14          2HB       LEU  14   1.909   2.324   1.964
  116    HG   LEU  14           HG       LEU  14   3.762   2.697   0.428
  117   1HD1  LEU  14          3HD1      LEU  14   4.667  -0.043   1.380
  118   2HD1  LEU  14          1HD1      LEU  14   5.204   0.674  -0.164
  119   3HD1  LEU  14          2HD1      LEU  14   5.597   1.458   1.361
  120   1HD2  LEU  14          1HD2      LEU  14   2.281   0.066   0.044
  121   2HD2  LEU  14          2HD2      LEU  14   1.692   1.694  -0.361
  122   3HD2  LEU  14          3HD2      LEU  14   3.069   1.022  -1.237
  123    H    GLU  15           H        GLU  15   2.437   4.575   2.872
  124    HA   GLU  15           HA       GLU  15   4.310   5.878   1.197
  125   1HB   GLU  15          1HB       GLU  15   1.865   6.319   1.444
  126   2HB   GLU  15          2HB       GLU  15   2.149   7.054   3.022
  127   1HG   GLU  15          1HG       GLU  15   3.303   8.910   2.047
  128   2HG   GLU  15          2HG       GLU  15   3.543   8.055   0.519
  129    H    ASP  16           H        ASP  16   3.729   6.067   4.671
  130    HA   ASP  16           HA       ASP  16   5.820   7.723   5.553
  131   1HB   ASP  16          1HB       ASP  16   3.936   7.225   6.893
  132   2HB   ASP  16          2HB       ASP  16   4.054   5.513   6.565
  133    H    MET  17           H        MET  17   5.947   4.154   4.905
  134    HA   MET  17           HA       MET  17   8.707   4.019   5.865
  135   1HB   MET  17          1HB       MET  17   7.052   2.047   4.213
  136   2HB   MET  17          2HB       MET  17   8.782   1.846   4.498
  137   1HG   MET  17          1HG       MET  17   8.051   2.237   7.024
  138   2HG   MET  17          2HG       MET  17   6.541   1.560   6.396
  139   1HE   MET  17          2HE       MET  17   6.549  -0.819   5.032
  140   2HE   MET  17          3HE       MET  17   8.077  -0.572   4.152
  141   3HE   MET  17          1HE       MET  17   7.856  -2.014   5.160
  142    H    VAL  18           H        VAL  18   7.266   4.016   2.532
  143    HA   VAL  18           HA       VAL  18   9.894   3.725   1.389
  144    HB   VAL  18           HB       VAL  18   7.616   3.078   0.393
  145   1HG1  VAL  18          2HG1      VAL  18   6.546   5.297   0.438
  146   2HG1  VAL  18          3HG1      VAL  18   7.701   5.846  -0.790
  147   3HG1  VAL  18          1HG1      VAL  18   6.574   4.535  -1.177
  148   1HG2  VAL  18          2HG2      VAL  18   9.908   4.181  -1.205
  149   2HG2  VAL  18          3HG2      VAL  18   9.566   2.520  -0.689
  150   3HG2  VAL  18          1HG2      VAL  18   8.551   3.270  -1.924
  151    H    GLY  19           H        GLY  19   7.905   6.519   2.304
  152   1HA   GLY  19          1HA       GLY  19   8.614   8.597   2.821
  153   2HA   GLY  19          2HA       GLY  19  10.249   8.203   2.255
  154    HA   PRO  20           HA       PRO  20   8.208  10.994  -0.886
  155   1HB   PRO  20          1HB       PRO  20  10.268  12.744  -1.287
  156   2HB   PRO  20          2HB       PRO  20   9.194  12.861   0.142
  157   1HG   PRO  20          1HG       PRO  20  11.915  11.528  -0.059
  158   2HG   PRO  20          2HG       PRO  20  11.348  12.700   1.177
  159   1HD   PRO  20          1HD       PRO  20  11.292   9.992   1.549
  160   2HD   PRO  20          2HD       PRO  20  10.021  11.074   2.238
  161    H    GLN  21           H        GLN  21   9.053  11.569  -2.959
  162    HA   GLN  21           HA       GLN  21   9.188  10.370  -5.086
  163   1HB   GLN  21          1HB       GLN  21  11.652  11.789  -4.103
  164   2HB   GLN  21          2HB       GLN  21  11.633  11.091  -5.715
  165   1HG   GLN  21          1HG       GLN  21  11.072  13.522  -5.613
  166   2HG   GLN  21          2HG       GLN  21   9.981  12.486  -6.517
  167   1HE2  GLN  21          2HE2      GLN  21   7.330  14.168  -4.929
  168   2HE2  GLN  21          1HE2      GLN  21   8.085  13.704  -6.450
  169    HA   PRO  22           HA       PRO  22  11.241   6.409  -3.863
  170   1HB   PRO  22          1HB       PRO  22   9.221   4.680  -3.905
  171   2HB   PRO  22          2HB       PRO  22   9.381   5.876  -2.585
  172   1HG   PRO  22          1HG       PRO  22   7.671   6.155  -5.080
  173   2HG   PRO  22          2HG       PRO  22   7.144   6.259  -3.365
  174   1HD   PRO  22          1HD       PRO  22   7.857   8.495  -4.789
  175   2HD   PRO  22          2HD       PRO  22   8.234   8.325  -3.046
  176    H    ASN  23           H        ASN  23  10.642   4.150  -5.354
  177    HA   ASN  23           HA       ASN  23  10.159   4.866  -8.149
  178   1HB   ASN  23          1HB       ASN  23  12.028   3.628  -9.006
  179   2HB   ASN  23          2HB       ASN  23  12.658   4.870  -7.924
  180   1HD2  ASN  23          2HD2      ASN  23  13.984   2.489  -5.640
  181   2HD2  ASN  23          1HD2      ASN  23  13.949   4.169  -6.154
  182    H    GLU  24           H        GLU  24   9.432   3.045  -9.277
  183    HA   GLU  24           HA       GLU  24   7.364   1.754  -8.132
  184   1HB   GLU  24          1HB       GLU  24   7.918   2.207 -10.554
  185   2HB   GLU  24          2HB       GLU  24   8.985   0.825 -10.523
  186   1HG   GLU  24          1HG       GLU  24   5.972   0.806 -10.264
  187   2HG   GLU  24          2HG       GLU  24   6.909   0.331 -11.655
  188    H    ASP  25           H        ASP  25  10.712   0.346  -8.306
  189    HA   ASP  25           HA       ASP  25   9.775  -2.238  -7.350
  190   1HB   ASP  25          1HB       ASP  25  11.886  -2.237  -8.523
  191   2HB   ASP  25          2HB       ASP  25  12.583  -1.080  -7.369
  192    H    THR  26           H        THR  26  11.499   0.537  -5.874
  193    HA   THR  26           HA       THR  26  11.623  -0.546  -3.289
  194    HB   THR  26           HB       THR  26  11.468   2.397  -4.021
  195    HG1  THR  26           HG1      THR  26  13.240   0.383  -4.558
  196   1HG2  THR  26          3HG2      THR  26  11.451   1.940  -1.550
  197   2HG2  THR  26          1HG2      THR  26  12.920   0.973  -1.730
  198   3HG2  THR  26          2HG2      THR  26  12.943   2.717  -2.084
  199    H    VAL  27           H        VAL  27   8.897   1.156  -4.833
  200    HA   VAL  27           HA       VAL  27   7.323   1.224  -2.381
  201    HB   VAL  27           HB       VAL  27   6.303   1.216  -5.251
  202   1HG1  VAL  27          3HG1      VAL  27   5.055   2.039  -2.586
  203   2HG1  VAL  27          1HG1      VAL  27   4.356   2.395  -4.173
  204   3HG1  VAL  27          2HG1      VAL  27   4.521   0.716  -3.652
  205   1HG2  VAL  27          3HG2      VAL  27   7.822   3.156  -4.866
  206   2HG2  VAL  27          1HG2      VAL  27   6.155   3.642  -5.106
  207   3HG2  VAL  27          2HG2      VAL  27   6.840   3.628  -3.465
  208    H    THR  28           H        THR  28   7.568  -1.097  -5.144
  209    HA   THR  28           HA       THR  28   5.565  -2.893  -4.295
  210    HB   THR  28           HB       THR  28   7.930  -2.928  -6.170
  211    HG1  THR  28           HG1      THR  28   6.326  -2.242  -7.330
  212   1HG2  THR  28          1HG2      THR  28   7.855  -5.263  -5.330
  213   2HG2  THR  28          2HG2      THR  28   6.123  -5.327  -5.758
  214   3HG2  THR  28          3HG2      THR  28   7.359  -5.119  -7.010
  215    H    GLN  29           H        GLN  29   9.132  -2.922  -3.592
  216    HA   GLN  29           HA       GLN  29   8.857  -5.240  -1.886
  217   1HB   GLN  29          1HB       GLN  29  11.093  -4.763  -1.059
  218   2HB   GLN  29          2HB       GLN  29  10.973  -4.959  -2.803
  219   1HG   GLN  29          1HG       GLN  29  11.351  -2.680  -3.222
  220   2HG   GLN  29          2HG       GLN  29  11.111  -2.214  -1.525
  221   1HE2  GLN  29          2HE2      GLN  29  14.797  -3.264  -2.775
  222   2HE2  GLN  29          1HE2      GLN  29  13.471  -3.055  -3.908
  223    H    ALA  30           H        ALA  30   8.985  -1.678  -1.164
  224    HA   ALA  30           HA       ALA  30   8.890  -1.955   1.622
  225   1HB   ALA  30          2HB       ALA  30   7.734   0.282  -0.087
  226   2HB   ALA  30          3HB       ALA  30   8.020   0.359   1.663
  227   3HB   ALA  30          1HB       ALA  30   9.390   0.183   0.557
  228    H    ALA  31           H        ALA  31   6.210  -2.045  -0.721
  229    HA   ALA  31           HA       ALA  31   4.113  -2.144   1.293
  230   1HB   ALA  31          1HB       ALA  31   3.801  -1.326  -1.076
  231   2HB   ALA  31          2HB       ALA  31   4.134  -2.946  -1.680
  232   3HB   ALA  31          3HB       ALA  31   2.688  -2.653  -0.693
  233    H    SER  32           H        SER  32   5.732  -4.711  -0.760
  234    HA   SER  32           HA       SER  32   4.175  -6.833   0.461
  235   1HB   SER  32          1HB       SER  32   6.049  -8.333  -0.328
  236   2HB   SER  32          2HB       SER  32   5.210  -7.391  -1.571
  237    HG   SER  32           HG       SER  32   6.935  -5.998  -1.697
  238    H    GLN  33           H        GLN  33   6.851  -4.990   1.603
  239    HA   GLN  33           HA       GLN  33   7.192  -6.507   4.058
  240   1HB   GLN  33          1HB       GLN  33   8.310  -3.938   2.917
  241   2HB   GLN  33          2HB       GLN  33   8.495  -4.257   4.619
  242   1HG   GLN  33          1HG       GLN  33   9.350  -6.286   2.493
  243   2HG   GLN  33          2HG       GLN  33  10.418  -4.988   3.076
  244   1HE2  GLN  33          2HE2      GLN  33   9.866  -8.200   5.483
  245   2HE2  GLN  33          1HE2      GLN  33   9.496  -8.192   3.767
  246    H    VAL  34           H        VAL  34   5.425  -3.488   3.110
  247    HA   VAL  34           HA       VAL  34   5.018  -2.508   5.651
  248    HB   VAL  34           HB       VAL  34   4.319  -1.538   3.341
  249   1HG1  VAL  34          3HG1      VAL  34   2.395  -3.231   2.850
  250   2HG1  VAL  34          1HG1      VAL  34   1.510  -2.319   4.048
  251   3HG1  VAL  34          2HG1      VAL  34   2.114  -1.518   2.593
  252   1HG2  VAL  34          1HG2      VAL  34   2.861  -1.046   5.878
  253   2HG2  VAL  34          2HG2      VAL  34   4.271  -0.190   5.148
  254   3HG2  VAL  34          3HG2      VAL  34   2.658  -0.065   4.415
  255    H    CYS  35           H        CYS  35   3.241  -4.919   3.840
  256    HA   CYS  35           HA       CYS  35   1.203  -5.518   5.729
  257   1HB   CYS  35          1HB       CYS  35   2.618  -7.317   3.691
  258   2HB   CYS  35          2HB       CYS  35   1.020  -7.596   4.398
  259    H    ASP  36           H        ASP  36   4.371  -7.062   5.030
  260    HA   ASP  36           HA       ASP  36   4.078  -9.276   6.750
  261   1HB   ASP  36          1HB       ASP  36   5.781  -8.711   4.857
  262   2HB   ASP  36          2HB       ASP  36   6.706  -7.894   6.118
  263    H    LYS  37           H        LYS  37   5.428  -6.099   7.221
  264    HA   LYS  37           HA       LYS  37   6.331  -6.283   9.898
  265   1HB   LYS  37          1HB       LYS  37   7.211  -4.989   7.961
  266   2HB   LYS  37          2HB       LYS  37   5.811  -3.912   8.053
  267   1HG   LYS  37          1HG       LYS  37   6.583  -2.977  10.114
  268   2HG   LYS  37          2HG       LYS  37   7.830  -4.228  10.317
  269   1HD   LYS  37          1HD       LYS  37   7.768  -2.500   7.816
  270   2HD   LYS  37          2HD       LYS  37   8.480  -1.863   9.300
  271   1HE   LYS  37          1HE       LYS  37  10.328  -3.101   9.157
  272   2HE   LYS  37          2HE       LYS  37   9.467  -4.574   8.678
  273   1HZ   LYS  37          3HZ       LYS  37   9.958  -2.418   6.734
  274   2HZ   LYS  37          1HZ       LYS  37  11.096  -3.554   7.071
  275   3HZ   LYS  37          2HZ       LYS  37   9.698  -4.054   6.472
  276    H    LEU  38           H        LEU  38   3.262  -4.978   8.504
  277    HA   LEU  38           HA       LEU  38   2.472  -3.646  10.962
  278   1HB   LEU  38          1HB       LEU  38   1.020  -4.502   8.432
  279   2HB   LEU  38          2HB       LEU  38   0.124  -3.863   9.793
  280    HG   LEU  38           HG       LEU  38   2.367  -2.253   8.516
  281   1HD1  LEU  38          1HD1      LEU  38   0.693  -2.814   6.768
  282   2HD1  LEU  38          2HD1      LEU  38  -0.614  -2.229   7.824
  283   3HD1  LEU  38          3HD1      LEU  38   0.615  -1.103   7.201
  284   1HD2  LEU  38          1HD2      LEU  38  -0.053  -1.482  10.207
  285   2HD2  LEU  38          2HD2      LEU  38   1.655  -1.446  10.714
  286   3HD2  LEU  38          3HD2      LEU  38   1.076  -0.349   9.454
  287    H    LYS  39           H        LYS  39   2.285  -4.929  12.752
  288    HA   LYS  39           HA       LYS  39   1.549  -7.707  12.529
  289   1HB   LYS  39          1HB       LYS  39   1.824  -7.782  14.966
  290   2HB   LYS  39          2HB       LYS  39   3.142  -6.876  14.224
  291   1HG   LYS  39          1HG       LYS  39   1.872  -4.737  14.826
  292   2HG   LYS  39          2HG       LYS  39   0.762  -5.735  15.764
  293   1HD   LYS  39          1HD       LYS  39   3.779  -5.558  16.214
  294   2HD   LYS  39          2HD       LYS  39   2.567  -4.604  17.078
  295   1HE   LYS  39          1HE       LYS  39   1.531  -6.712  17.937
  296   2HE   LYS  39          2HE       LYS  39   2.813  -7.644  17.147
  297   1HZ   LYS  39          2HZ       LYS  39   4.420  -6.492  18.556
  298   2HZ   LYS  39          3HZ       LYS  39   3.222  -5.634  19.286
  299   3HZ   LYS  39          1HZ       LYS  39   3.300  -7.258  19.476
  300    H    ILE  40           H        ILE  40  -0.259  -8.725  13.685
  301    HA   ILE  40           HA       ILE  40  -2.424  -9.159  14.033
  302    HB   ILE  40           HB       ILE  40  -2.849  -6.164  14.402
  303   1HG1  ILE  40          1HG1      ILE  40  -1.399  -7.039  16.141
  304   2HG1  ILE  40          2HG1      ILE  40  -2.975  -6.606  16.776
  305   1HG2  ILE  40          3HG2      ILE  40  -4.809  -8.436  14.847
  306   2HG2  ILE  40          1HG2      ILE  40  -5.014  -6.774  15.442
  307   3HG2  ILE  40          2HG2      ILE  40  -4.951  -7.083  13.714
  308   1HD1  ILE  40          1HD1      ILE  40  -3.623  -9.018  16.819
  309   2HD1  ILE  40          2HD1      ILE  40  -2.000  -9.445  16.221
  310   3HD1  ILE  40          3HD1      ILE  40  -2.193  -8.670  17.800
  311    H    LEU  41           H        LEU  41  -2.281  -6.161  12.106
  312    HA   LEU  41           HA       LEU  41  -4.364  -7.121  10.344
  313   1HB   LEU  41          1HB       LEU  41  -3.996  -4.839  11.408
  314   2HB   LEU  41          2HB       LEU  41  -2.704  -4.561  10.268
  315    HG   LEU  41           HG       LEU  41  -5.193  -3.659  10.033
  316   1HD1  LEU  41          1HD1      LEU  41  -3.377  -3.020   8.589
  317   2HD1  LEU  41          2HD1      LEU  41  -3.543  -4.514   7.659
  318   3HD1  LEU  41          3HD1      LEU  41  -4.854  -3.307   7.660
  319   1HD2  LEU  41          3HD2      LEU  41  -6.340  -5.790   9.976
  320   2HD2  LEU  41          1HD2      LEU  41  -6.591  -4.900   8.477
  321   3HD2  LEU  41          2HD2      LEU  41  -5.450  -6.260   8.513
  322    H    ARG  42           H        ARG  42  -1.393  -8.131  10.402
  323    HA   ARG  42           HA       ARG  42  -0.051  -7.732   8.028
  324   1HB   ARG  42          1HB       ARG  42   0.887  -8.896   9.967
  325   2HB   ARG  42          2HB       ARG  42  -0.285 -10.193   9.825
  326   1HG   ARG  42          1HG       ARG  42   0.797 -10.999   7.773
  327   2HG   ARG  42          2HG       ARG  42   1.947  -9.650   7.822
  328   1HD   ARG  42          1HD       ARG  42   2.856 -10.427   9.955
  329   2HD   ARG  42          2HD       ARG  42   1.621 -11.676  10.078
  330    HE   ARG  42           HE       ARG  42   2.617 -12.916   8.323
  331   1HH1  ARG  42          2HH2      ARG  42   4.731 -10.213   9.413
  332   2HH1  ARG  42          1HH2      ARG  42   6.115 -10.867   8.663
  333   1HH2  ARG  42          2HH1      ARG  42   4.627 -13.768   7.371
  334   2HH2  ARG  42          1HH1      ARG  42   5.993 -12.701   7.399
  335    H    GLY  43           H        GLY  43  -2.488 -10.277   8.735
  336   1HA   GLY  43          1HA       GLY  43  -2.288 -11.696   6.326
  337   2HA   GLY  43          2HA       GLY  43  -3.720 -11.654   7.364
  338    H    LEU  44           H        LEU  44  -4.305  -8.774   7.046
  339    HA   LEU  44           HA       LEU  44  -5.994  -9.100   4.756
  340   1HB   LEU  44          1HB       LEU  44  -6.387  -7.788   6.966
  341   2HB   LEU  44          2HB       LEU  44  -5.428  -6.504   6.240
  342    HG   LEU  44           HG       LEU  44  -7.755  -6.023   6.072
  343   1HD1  LEU  44          3HD1      LEU  44  -6.316  -5.373   4.131
  344   2HD1  LEU  44          1HD1      LEU  44  -6.909  -6.827   3.280
  345   3HD1  LEU  44          2HD1      LEU  44  -8.034  -5.545   3.753
  346   1HD2  LEU  44          2HD2      LEU  44  -8.615  -8.354   6.189
  347   2HD2  LEU  44          3HD2      LEU  44  -9.397  -7.382   4.945
  348   3HD2  LEU  44          1HD2      LEU  44  -8.178  -8.589   4.482
  349    H    CYS  45           H        CYS  45  -3.330  -6.692   5.475
  350    HA   CYS  45           HA       CYS  45  -2.887  -5.769   2.988
  351   1HB   CYS  45          1HB       CYS  45  -1.937  -5.090   5.200
  352   2HB   CYS  45          2HB       CYS  45  -0.834  -6.441   5.110
  353    H    LYS  46           H        LYS  46  -1.369  -8.847   4.279
  354    HA   LYS  46           HA       LYS  46   0.192  -9.171   1.883
  355   1HB   LYS  46          1HB       LYS  46  -0.808 -11.379   3.711
  356   2HB   LYS  46          2HB       LYS  46   0.365 -11.599   2.422
  357   1HG   LYS  46          1HG       LYS  46   0.782  -9.863   4.871
  358   2HG   LYS  46          2HG       LYS  46   1.346 -11.504   4.719
  359   1HD   LYS  46          1HD       LYS  46   2.312  -9.341   2.815
  360   2HD   LYS  46          2HD       LYS  46   2.957  -9.531   4.447
  361   1HE   LYS  46          1HE       LYS  46   3.398 -12.015   3.743
  362   2HE   LYS  46          2HE       LYS  46   3.256 -11.380   2.096
  363   1HZ   LYS  46          3HZ       LYS  46   5.027  -9.692   2.887
  364   2HZ   LYS  46          1HZ       LYS  46   5.248 -10.698   4.181
  365   3HZ   LYS  46          2HZ       LYS  46   5.527 -11.252   2.695
  366    H    LYS  47           H        LYS  47  -3.213 -10.200   2.577
  367    HA   LYS  47           HA       LYS  47  -3.518 -11.469   0.010
  368   1HB   LYS  47          1HB       LYS  47  -5.110 -11.856   1.834
  369   2HB   LYS  47          2HB       LYS  47  -5.667 -10.186   1.774
  370   1HG   LYS  47          1HG       LYS  47  -5.773 -11.860  -0.750
  371   2HG   LYS  47          2HG       LYS  47  -6.950 -12.182   0.517
  372   1HD   LYS  47          1HD       LYS  47  -7.985 -10.069   0.327
  373   2HD   LYS  47          2HD       LYS  47  -6.614  -9.346  -0.487
  374   1HE   LYS  47          1HE       LYS  47  -8.285  -9.598  -2.142
  375   2HE   LYS  47          2HE       LYS  47  -7.014 -10.762  -2.495
  376   1HZ   LYS  47          3HZ       LYS  47  -8.420 -12.483  -1.509
  377   2HZ   LYS  47          1HZ       LYS  47  -9.605 -11.380  -1.199
  378   3HZ   LYS  47          2HZ       LYS  47  -9.187 -11.725  -2.746
  379    H    ILE  48           H        ILE  48  -4.010  -8.081   1.097
  380    HA   ILE  48           HA       ILE  48  -5.165  -7.046  -1.268
  381    HB   ILE  48           HB       ILE  48  -3.305  -5.741   0.748
  382   1HG1  ILE  48          1HG1      ILE  48  -5.647  -6.656   1.416
  383   2HG1  ILE  48          2HG1      ILE  48  -5.112  -5.072   1.972
  384   1HG2  ILE  48          2HG2      ILE  48  -4.885  -4.329  -1.414
  385   2HG2  ILE  48          3HG2      ILE  48  -4.109  -3.544  -0.022
  386   3HG2  ILE  48          1HG2      ILE  48  -3.124  -4.377  -1.221
  387   1HD1  ILE  48          1HD1      ILE  48  -6.936  -5.518  -0.409
  388   2HD1  ILE  48          2HD1      ILE  48  -7.503  -5.222   1.247
  389   3HD1  ILE  48          3HD1      ILE  48  -6.555  -3.977   0.428
  390    H    MET  49           H        MET  49  -1.681  -7.249  -0.332
  391    HA   MET  49           HA       MET  49  -0.832  -6.229  -2.868
  392   1HB   MET  49          1HB       MET  49   0.724  -7.854  -0.808
  393   2HB   MET  49          2HB       MET  49   1.429  -6.977  -2.165
  394   1HG   MET  49          1HG       MET  49  -0.089  -5.827   0.191
  395   2HG   MET  49          2HG       MET  49   1.626  -5.608  -0.167
  396   1HE   MET  49          3HE       MET  49   0.883  -3.152   0.684
  397   2HE   MET  49          1HE       MET  49  -0.252  -2.116  -0.209
  398   3HE   MET  49          2HE       MET  49  -0.848  -3.549   0.649
  399    H    ARG  50           H        ARG  50  -1.176  -9.697  -1.722
  400    HA   ARG  50           HA       ARG  50  -0.077 -10.812  -4.101
  401   1HB   ARG  50          1HB       ARG  50  -0.848 -11.945  -1.912
  402   2HB   ARG  50          2HB       ARG  50  -2.453 -12.016  -2.601
  403   1HG   ARG  50          1HG       ARG  50  -0.029 -13.238  -4.011
  404   2HG   ARG  50          2HG       ARG  50  -0.851 -14.048  -2.701
  405   1HD   ARG  50          1HD       ARG  50  -1.836 -15.093  -4.419
  406   2HD   ARG  50          2HD       ARG  50  -3.018 -13.815  -4.144
  407    HE   ARG  50           HE       ARG  50  -1.792 -12.572  -5.994
  408   1HH1  ARG  50          2HH2      ARG  50  -1.909 -16.139  -6.081
  409   2HH1  ARG  50          1HH2      ARG  50  -1.799 -16.217  -7.796
  410   1HH2  ARG  50          2HH1      ARG  50  -1.667 -12.677  -8.206
  411   2HH2  ARG  50          1HH1      ARG  50  -1.648 -14.180  -9.051
  412    H    SER  51           H        SER  51  -3.247  -9.462  -3.427
  413    HA   SER  51           HA       SER  51  -4.437 -10.248  -5.951
  414   1HB   SER  51          1HB       SER  51  -5.491  -9.905  -3.630
  415   2HB   SER  51          2HB       SER  51  -5.413  -8.171  -3.950
  416    HG   SER  51           HG       SER  51  -6.772  -8.540  -5.734
  417    H    PHE  52           H        PHE  52  -2.936  -7.163  -4.710
  418    HA   PHE  52           HA       PHE  52  -3.098  -6.065  -7.489
  419   1HB   PHE  52          1HB       PHE  52  -3.808  -4.440  -5.027
  420   2HB   PHE  52          2HB       PHE  52  -4.215  -4.121  -6.699
  421    HD1  PHE  52           HD1      PHE  52  -5.965  -5.903  -7.785
  422    HD2  PHE  52           HD2      PHE  52  -5.430  -5.117  -3.579
  423    HE1  PHE  52           HE1      PHE  52  -8.275  -6.686  -7.333
  424    HE2  PHE  52           HE2      PHE  52  -7.739  -5.897  -3.134
  425    HZ   PHE  52           HZ       PHE  52  -9.169  -6.678  -5.015
  426    H    LEU  53           H        LEU  53  -0.601  -6.910  -5.857
  427    HA   LEU  53           HA       LEU  53   0.523  -4.796  -4.546
  428   1HB   LEU  53          1HB       LEU  53   1.548  -6.981  -4.523
  429   2HB   LEU  53          2HB       LEU  53   1.986  -6.865  -6.224
  430    HG   LEU  53           HG       LEU  53   3.650  -5.160  -5.717
  431   1HD1  LEU  53          2HD1      LEU  53   2.731  -5.296  -2.802
  432   2HD1  LEU  53          3HD1      LEU  53   4.148  -4.446  -3.421
  433   3HD1  LEU  53          1HD1      LEU  53   2.551  -3.898  -3.884
  434   1HD2  LEU  53          1HD2      LEU  53   3.700  -7.508  -3.755
  435   2HD2  LEU  53          2HD2      LEU  53   4.328  -7.490  -5.418
  436   3HD2  LEU  53          3HD2      LEU  53   5.102  -6.512  -4.164
  437    H    ARG  54           H        ARG  54   1.324  -5.380  -8.072
  438    HA   ARG  54           HA       ARG  54   2.837  -2.974  -8.039
  439   1HB   ARG  54          1HB       ARG  54   3.045  -4.941  -9.638
  440   2HB   ARG  54          2HB       ARG  54   1.750  -4.191 -10.595
  441   1HG   ARG  54          1HG       ARG  54   3.086  -2.173 -10.920
  442   2HG   ARG  54          2HG       ARG  54   4.249  -2.695  -9.718
  443   1HD   ARG  54          1HD       ARG  54   3.872  -3.800 -12.506
  444   2HD   ARG  54          2HD       ARG  54   5.236  -2.883 -11.897
  445    HE   ARG  54           HE       ARG  54   5.012  -5.628 -11.976
  446   1HH1  ARG  54          2HH2      ARG  54   6.344  -3.209  -9.723
  447   2HH1  ARG  54          1HH2      ARG  54   7.253  -4.294  -8.829
  448   1HH2  ARG  54          2HH1      ARG  54   6.621  -7.002 -11.058
  449   2HH2  ARG  54          1HH1      ARG  54   7.563  -6.426  -9.734
  450    H    ARG  55           H        ARG  55  -0.678  -3.260  -8.131
  451    HA   ARG  55           HA       ARG  55  -1.229  -0.841  -9.549
  452   1HB   ARG  55          1HB       ARG  55  -2.809  -2.507  -7.629
  453   2HB   ARG  55          2HB       ARG  55  -3.255  -0.903  -8.061
  454   1HG   ARG  55          1HG       ARG  55  -2.773  -1.870 -10.579
  455   2HG   ARG  55          2HG       ARG  55  -3.186  -3.357  -9.708
  456   1HD   ARG  55          1HD       ARG  55  -5.173  -2.746 -10.548
  457   2HD   ARG  55          2HD       ARG  55  -5.237  -2.033  -8.899
  458    HE   ARG  55           HE       ARG  55  -4.326  -0.087 -10.772
  459   1HH1  ARG  55          2HH2      ARG  55  -7.440  -1.754 -10.072
  460   2HH1  ARG  55          1HH2      ARG  55  -8.327  -0.271 -10.274
  461   1HH2  ARG  55          2HH1      ARG  55  -5.670   1.801 -11.058
  462   2HH2  ARG  55          1HH1      ARG  55  -7.306   1.708 -10.620
  463    H    ILE  56           H        ILE  56  -0.551  -1.812  -6.126
  464    HA   ILE  56           HA       ILE  56  -1.076   0.705  -4.961
  465    HB   ILE  56           HB       ILE  56   0.847  -1.386  -3.931
  466   1HG1  ILE  56          1HG1      ILE  56  -1.002  -2.708  -4.166
  467   2HG1  ILE  56          2HG1      ILE  56  -1.294  -2.044  -2.576
  468   1HG2  ILE  56          2HG2      ILE  56   0.889   0.763  -2.704
  469   2HG2  ILE  56          3HG2      ILE  56  -0.863   0.626  -2.423
  470   3HG2  ILE  56          1HG2      ILE  56   0.267  -0.560  -1.729
  471   1HD1  ILE  56          1HD1      ILE  56  -2.873  -0.359  -3.674
  472   2HD1  ILE  56          2HD1      ILE  56  -2.752  -1.351  -5.144
  473   3HD1  ILE  56          3HD1      ILE  56  -3.377  -2.070  -3.674
  474    H    SER  57           H        SER  57   1.785  -0.575  -6.634
  475    HA   SER  57           HA       SER  57   3.565   1.502  -5.876
  476   1HB   SER  57          1HB       SER  57   4.107  -0.813  -6.786
  477   2HB   SER  57          2HB       SER  57   3.612  -0.236  -8.390
  478    HG   SER  57           HG       SER  57   5.828  -0.108  -8.006
  479    H    TRP  58           H        TRP  58   1.653   1.058  -8.925
  480    HA   TRP  58           HA       TRP  58   2.233   3.438 -10.244
  481   1HB   TRP  58          1HB       TRP  58   0.720   2.483 -11.600
  482   2HB   TRP  58          2HB       TRP  58   0.064   1.497 -10.314
  483    HD1  TRP  58           HD1      TRP  58  -0.364   5.147 -11.575
  484    HE1  TRP  58           HE1      TRP  58  -2.745   5.937 -11.101
  485    HE3  TRP  58           HE3      TRP  58  -2.269   0.893  -9.482
  486    HZ2  TRP  58           HZ2      TRP  58  -5.149   4.898  -9.747
  487    HZ3  TRP  58           HZ3      TRP  58  -4.488   0.880  -8.452
  488    HH2  TRP  58           HH2      TRP  58  -5.906   2.830  -8.511
  489    H    ASP  59           H        ASP  59  -0.108   2.932  -7.666
  490    HA   ASP  59           HA       ASP  59  -1.130   5.533  -7.489
  491   1HB   ASP  59          1HB       ASP  59  -0.902   3.300  -5.470
  492   2HB   ASP  59          2HB       ASP  59  -1.501   4.892  -5.032
  493    HD2  ASP  59           HD2      ASP  59  -3.733   2.576  -7.276
  494    H    ILE  60           H        ILE  60   1.627   4.266  -5.469
  495    HA   ILE  60           HA       ILE  60   1.861   6.774  -4.112
  496    HB   ILE  60           HB       ILE  60   4.116   4.780  -4.488
  497   1HG1  ILE  60          1HG1      ILE  60   2.437   3.406  -3.599
  498   2HG1  ILE  60          2HG1      ILE  60   3.407   3.875  -2.227
  499   1HG2  ILE  60          2HG2      ILE  60   3.508   6.820  -2.293
  500   2HG2  ILE  60          3HG2      ILE  60   4.865   5.678  -2.292
  501   3HG2  ILE  60          1HG2      ILE  60   4.784   6.946  -3.512
  502   1HD1  ILE  60          2HD1      ILE  60   1.644   5.494  -1.559
  503   2HD1  ILE  60          3HD1      ILE  60   0.659   4.964  -2.953
  504   3HD1  ILE  60          1HD1      ILE  60   1.060   3.816  -1.673
  505    H    LEU  61           H        LEU  61   3.495   5.438  -7.002
  506    HA   LEU  61           HA       LEU  61   5.285   7.575  -7.488
  507   1HB   LEU  61          1HB       LEU  61   3.806   5.800  -9.471
  508   2HB   LEU  61          2HB       LEU  61   5.200   6.799  -9.872
  509    HG   LEU  61           HG       LEU  61   5.321   4.616  -7.748
  510   1HD1  LEU  61          1HD1      LEU  61   4.621   3.691  -9.953
  511   2HD1  LEU  61          2HD1      LEU  61   6.098   4.373 -10.679
  512   3HD1  LEU  61          3HD1      LEU  61   6.185   3.130  -9.404
  513   1HD2  LEU  61          2HD2      LEU  61   7.132   6.320  -7.653
  514   2HD2  LEU  61          3HD2      LEU  61   7.719   4.724  -8.095
  515   3HD2  LEU  61          1HD2      LEU  61   7.531   5.975  -9.346
  516    H    THR  62           H        THR  62   1.872   7.187  -8.462
  517    HA   THR  62           HA       THR  62   1.878   9.931  -9.586
  518    HB   THR  62           HB       THR  62  -0.385   9.428 -10.344
  519    HG1  THR  62           HG1      THR  62   0.095   6.803  -9.383
  520   1HG2  THR  62          2HG2      THR  62   1.546   8.914 -11.793
  521   2HG2  THR  62          3HG2      THR  62   1.597   7.260 -11.155
  522   3HG2  THR  62          1HG2      THR  62   0.184   7.819 -12.077
  523    H    GLY  63           H        GLY  63   2.376   9.478  -6.763
  524   1HA   GLY  63          1HA       GLY  63   1.794  10.042  -4.666
  525   2HA   GLY  63          2HA       GLY  63   1.486  11.584  -5.469
  526    H    LYS  64           H        LYS  64  -0.403   8.455  -5.421
  527    HA   LYS  64           HA       LYS  64  -2.795  10.162  -5.162
  528   1HB   LYS  64          1HB       LYS  64  -2.333   7.952  -6.533
  529   2HB   LYS  64          2HB       LYS  64  -2.637   7.120  -5.058
  530   1HG   LYS  64          1HG       LYS  64  -4.704   7.054  -6.086
  531   2HG   LYS  64          2HG       LYS  64  -4.897   8.453  -5.025
  532   1HD   LYS  64          1HD       LYS  64  -5.801   8.880  -7.268
  533   2HD   LYS  64          2HD       LYS  64  -4.451   9.972  -6.966
  534   1HE   LYS  64          1HE       LYS  64  -3.873   7.328  -8.303
  535   2HE   LYS  64          2HE       LYS  64  -4.768   8.514  -9.255
  536   1HZ   LYS  64          3HZ       LYS  64  -2.201   9.266  -7.970
  537   2HZ   LYS  64          1HZ       LYS  64  -2.219   8.515  -9.384
  538   3HZ   LYS  64          2HZ       LYS  64  -2.957   9.985  -9.219
  539    H    LYS  65           H        LYS  65  -4.117  10.096  -3.406
  540    HA   LYS  65           HA       LYS  65  -2.723   9.510  -0.858
  541   1HB   LYS  65          1HB       LYS  65  -5.385  10.872  -1.357
  542   2HB   LYS  65          2HB       LYS  65  -4.726  10.603   0.250
  543   1HG   LYS  65          1HG       LYS  65  -3.477  12.299  -1.967
  544   2HG   LYS  65          2HG       LYS  65  -4.196  12.843  -0.464
  545   1HD   LYS  65          1HD       LYS  65  -1.987  13.047   0.079
  546   2HD   LYS  65          2HD       LYS  65  -2.289  11.420   0.686
  547   1HE   LYS  65          1HE       LYS  65  -1.346  10.568  -1.572
  548   2HE   LYS  65          2HE       LYS  65  -0.888  12.226  -1.922
  549   1HZ   LYS  65          2HZ       LYS  65   0.057  10.675   0.456
  550   2HZ   LYS  65          3HZ       LYS  65   0.816  10.680  -0.883
  551   3HZ   LYS  65          1HZ       LYS  65   0.664  12.125  -0.086
  552    HA   PRO  66           HA       PRO  66  -3.998   5.571   0.078
  553   1HB   PRO  66          1HB       PRO  66  -4.708   5.661   2.783
  554   2HB   PRO  66          2HB       PRO  66  -3.059   5.596   2.138
  555   1HG   PRO  66          1HG       PRO  66  -4.609   8.042   2.972
  556   2HG   PRO  66          2HG       PRO  66  -2.892   7.618   3.315
  557   1HD   PRO  66          1HD       PRO  66  -3.441   9.314   1.348
  558   2HD   PRO  66          2HD       PRO  66  -2.257   7.997   1.036
  559    H    GLN  67           H        GLN  67  -6.434   7.729   1.639
  560    HA   GLN  67           HA       GLN  67  -8.463   5.753   1.595
  561   1HB   GLN  67          1HB       GLN  67  -8.268   7.942   2.934
  562   2HB   GLN  67          2HB       GLN  67  -8.943   8.763   1.522
  563   1HG   GLN  67          1HG       GLN  67 -11.005   7.478   1.702
  564   2HG   GLN  67          2HG       GLN  67 -10.282   6.401   2.909
  565   1HE2  GLN  67          2HE2      GLN  67 -12.179   9.611   4.303
  566   2HE2  GLN  67          1HE2      GLN  67 -12.423   8.981   2.693
  567    H    ALA  68           H        ALA  68  -7.368   7.969  -0.926
  568    HA   ALA  68           HA       ALA  68  -9.711   7.490  -2.650
  569   1HB   ALA  68          1HB       ALA  68  -8.512   9.668  -2.726
  570   2HB   ALA  68          2HB       ALA  68  -7.015   8.833  -3.216
  571   3HB   ALA  68          3HB       ALA  68  -8.432   8.824  -4.283
  572    H    ILE  69           H        ILE  69  -6.250   6.366  -2.427
  573    HA   ILE  69           HA       ILE  69  -6.223   4.733  -4.736
  574    HB   ILE  69           HB       ILE  69  -5.015   4.349  -1.933
  575   1HG1  ILE  69          1HG1      ILE  69  -3.638   5.013  -4.507
  576   2HG1  ILE  69          2HG1      ILE  69  -4.274   6.258  -3.516
  577   1HG2  ILE  69          2HG2      ILE  69  -4.664   2.606  -4.399
  578   2HG2  ILE  69          3HG2      ILE  69  -3.482   2.613  -3.081
  579   3HG2  ILE  69          1HG2      ILE  69  -5.131   2.099  -2.773
  580   1HD1  ILE  69          1HD1      ILE  69  -2.222   4.239  -2.499
  581   2HD1  ILE  69          2HD1      ILE  69  -1.845   5.853  -3.087
  582   3HD1  ILE  69          3HD1      ILE  69  -2.853   5.674  -1.661
  583    H    CYS  70           H        CYS  70  -7.319   3.956  -1.449
  584    HA   CYS  70           HA       CYS  70  -8.169   1.316  -2.030
  585   1HB   CYS  70          1HB       CYS  70  -9.083   3.318   0.062
  586   2HB   CYS  70          2HB       CYS  70  -9.401   1.569   0.111
  587    H    VAL  71           H        VAL  71 -10.064   4.463  -2.479
  588    HA   VAL  71           HA       VAL  71 -12.422   2.851  -3.086
  589    HB   VAL  71           HB       VAL  71 -11.953   5.757  -3.839
  590   1HG1  VAL  71          1HG1      VAL  71 -14.478   3.967  -3.729
  591   2HG1  VAL  71          2HG1      VAL  71 -14.496   5.731  -3.995
  592   3HG1  VAL  71          3HG1      VAL  71 -13.768   4.668  -5.194
  593   1HG2  VAL  71          2HG2      VAL  71 -11.998   5.371  -1.365
  594   2HG2  VAL  71          3HG2      VAL  71 -13.415   6.251  -1.935
  595   3HG2  VAL  71          1HG2      VAL  71 -13.545   4.539  -1.568
  596    H    ASP  72           H        ASP  72  -9.736   4.254  -5.095
  597    HA   ASP  72           HA       ASP  72 -10.826   3.833  -7.632
  598   1HB   ASP  72          1HB       ASP  72  -8.666   4.977  -7.182
  599   2HB   ASP  72          2HB       ASP  72  -7.933   3.453  -6.741
  600    H    ILE  73           H        ILE  73  -8.728   1.574  -5.825
  601    HA   ILE  73           HA       ILE  73  -9.308  -0.499  -7.802
  602    HB   ILE  73           HB       ILE  73  -7.591  -1.755  -6.777
  603   1HG1  ILE  73          1HG1      ILE  73  -7.707   0.222  -4.428
  604   2HG1  ILE  73          2HG1      ILE  73  -8.164  -1.479  -4.408
  605   1HG2  ILE  73          3HG2      ILE  73  -7.075   0.434  -8.051
  606   2HG2  ILE  73          1HG2      ILE  73  -6.582   1.077  -6.495
  607   3HG2  ILE  73          2HG2      ILE  73  -5.773  -0.366  -7.153
  608   1HD1  ILE  73          3HD1      ILE  73  -5.831  -2.086  -5.062
  609   2HD1  ILE  73          1HD1      ILE  73  -5.383  -0.371  -4.846
  610   3HD1  ILE  73          2HD1      ILE  73  -5.975  -1.306  -3.463
  611    H    LYS  74           H        LYS  74 -10.947   0.558  -5.312
  612    HA   LYS  74           HA       LYS  74 -12.931   0.170  -4.422
  613   1HB   LYS  74          1HB       LYS  74 -13.563  -0.835  -6.608
  614   2HB   LYS  74          2HB       LYS  74 -13.191  -2.427  -5.924
  615   1HG   LYS  74          1HG       LYS  74 -14.777  -1.494  -3.917
  616   2HG   LYS  74          2HG       LYS  74 -15.351  -0.425  -5.169
  617   1HD   LYS  74          1HD       LYS  74 -16.777  -2.399  -4.858
  618   2HD   LYS  74          2HD       LYS  74 -16.137  -2.298  -6.492
  619   1HE   LYS  74          1HE       LYS  74 -16.198  -4.611  -5.487
  620   2HE   LYS  74          2HE       LYS  74 -14.630  -4.115  -6.139
  621   1HZ   LYS  74          2HZ       LYS  74 -15.231  -3.903  -3.227
  622   2HZ   LYS  74          3HZ       LYS  74 -14.528  -5.217  -3.907
  623   3HZ   LYS  74          1HZ       LYS  74 -13.824  -3.741  -3.939
  624    H    ILE  75           H        ILE  75 -11.668   0.098  -2.645
  625    HA   ILE  75           HA       ILE  75 -12.133  -2.226  -0.881
  626    HB   ILE  75           HB       ILE  75  -9.536  -0.627  -1.053
  627   1HG1  ILE  75          1HG1      ILE  75 -10.137  -3.464  -2.020
  628   2HG1  ILE  75          2HG1      ILE  75  -9.730  -2.076  -3.028
  629   1HG2  ILE  75          3HG2      ILE  75 -10.042  -1.474   1.208
  630   2HG2  ILE  75          1HG2      ILE  75 -10.224  -3.123   0.541
  631   3HG2  ILE  75          2HG2      ILE  75  -8.655  -2.306   0.525
  632   1HD1  ILE  75          2HD1      ILE  75  -7.521  -1.949  -1.760
  633   2HD1  ILE  75          3HD1      ILE  75  -7.945  -3.582  -1.188
  634   3HD1  ILE  75          1HD1      ILE  75  -7.760  -3.291  -2.915
  635    H    CYS  76           H        CYS  76 -12.026   1.283  -1.421
  636    HA   CYS  76           HA       CYS  76 -13.048   1.641   1.330
  637   1HB   CYS  76          1HB       CYS  76 -10.917   2.762   1.210
  638   2HB   CYS  76          2HB       CYS  76 -11.454   3.647  -0.225
  639    H    LYS  77           H        LYS  77 -14.429   3.699   1.415
  640    HA   LYS  77           HA       LYS  77 -16.547   4.350   1.159
  641   1HB   LYS  77          1HB       LYS  77 -15.386   5.693  -0.710
  642   2HB   LYS  77          2HB       LYS  77 -16.120   4.539  -1.834
  643   1HG   LYS  77          1HG       LYS  77 -18.255   5.333  -0.128
  644   2HG   LYS  77          2HG       LYS  77 -17.283   6.775  -0.272
  645   1HD   LYS  77          1HD       LYS  77 -18.940   6.926  -1.951
  646   2HD   LYS  77          2HD       LYS  77 -17.428   6.586  -2.780
  647   1HE   LYS  77          1HE       LYS  77 -19.275   5.323  -3.771
  648   2HE   LYS  77          2HE       LYS  77 -18.077   4.226  -3.070
  649   1HZ   LYS  77          1HZ       LYS  77 -20.562   4.962  -1.640
  650   2HZ   LYS  77          2HZ       LYS  77 -20.395   3.616  -2.584
  651   3HZ   LYS  77          3HZ       LYS  77 -19.457   3.780  -1.275
  652    H    GLU  78           H        GLU  78 -15.824   1.531   1.043
  653    HA   GLU  78           HA       GLU  78 -17.953   0.414  -0.554
  654   1HB   GLU  78          1HB       GLU  78 -15.870  -0.793   1.314
  655   2HB   GLU  78          2HB       GLU  78 -17.150  -1.727   0.501
  656   1HG   GLU  78          1HG       GLU  78 -16.062  -1.013  -1.693
  657   2HG   GLU  78          2HG       GLU  78 -14.702  -0.451  -0.717
   
  No H/Q in entry =         657
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -16.895  -0.351   4.383
    2   2H    GLY   1          2H        GLY   1 -15.940  -1.100   3.299
    3   3H    GLY   1          3H        GLY   1 -17.537  -1.481   3.363
    4   1HA   GLY   1          1HA       GLY   1 -17.300  -2.417   5.573
    5   2HA   GLY   1          2HA       GLY   1 -16.227  -3.218   4.406
    6    H    TYR   2           H        TYR   2 -15.364  -3.548   7.001
    7    HA   TYR   2           HA       TYR   2 -13.715  -1.550   8.063
    8   1HB   TYR   2          1HB       TYR   2 -14.237  -3.593   9.294
    9   2HB   TYR   2          2HB       TYR   2 -13.336  -4.565   8.127
   10    HD1  TYR   2           HD2      TYR   2 -12.743  -1.456  10.231
   11    HD2  TYR   2           HD1      TYR   2 -11.168  -5.242   8.852
   12    HE1  TYR   2           HE2      TYR   2 -10.565  -0.919  11.228
   13    HE2  TYR   2           HE1      TYR   2  -8.990  -4.701   9.889
   14    HH   TYR   2           HH       TYR   2  -8.351  -1.381  11.017
   15    H    PHE   3           H        PHE   3 -13.212  -3.514   5.217
   16    HA   PHE   3           HA       PHE   3 -10.535  -3.327   4.688
   17   1HB   PHE   3          1HB       PHE   3 -12.962  -3.090   2.899
   18   2HB   PHE   3          2HB       PHE   3 -11.340  -2.939   2.256
   19    HD1  PHE   3           HD1      PHE   3  -9.699  -4.726   2.355
   20    HD2  PHE   3           HD2      PHE   3 -13.837  -5.344   3.416
   21    HE1  PHE   3           HE1      PHE   3  -9.428  -7.163   1.990
   22    HE2  PHE   3           HE2      PHE   3 -13.556  -7.780   3.058
   23    HZ   PHE   3           HZ       PHE   3 -11.371  -8.685   2.330
   24    H    CYS   4           H        CYS   4 -12.897  -0.604   4.494
   25    HA   CYS   4           HA       CYS   4 -11.236   1.210   3.123
   26   1HB   CYS   4          1HB       CYS   4 -13.722   1.507   3.788
   27   2HB   CYS   4          2HB       CYS   4 -13.154   1.970   5.375
   28    H    GLU   5           H        GLU   5 -11.640   0.819   6.688
   29    HA   GLU   5           HA       GLU   5  -9.651   2.710   7.447
   30   1HB   GLU   5          1HB       GLU   5 -11.558   1.700   8.816
   31   2HB   GLU   5          2HB       GLU   5 -10.582   0.250   8.993
   32   1HG   GLU   5          1HG       GLU   5  -9.818   3.062   9.905
   33   2HG   GLU   5          2HG       GLU   5 -10.500   1.812  10.939
   34    H    SER   6           H        SER   6  -9.623  -0.826   7.085
   35    HA   SER   6           HA       SER   6  -7.000  -1.429   7.768
   36   1HB   SER   6          1HB       SER   6  -8.461  -2.657   5.387
   37   2HB   SER   6          2HB       SER   6  -7.188  -3.375   6.372
   38    HG   SER   6           HG       SER   6  -9.743  -2.642   7.401
   39    H    CYS   7           H        CYS   7  -8.211  -0.616   4.507
   40    HA   CYS   7           HA       CYS   7  -5.792  -0.711   3.069
   41   1HB   CYS   7          1HB       CYS   7  -7.999  -0.846   2.125
   42   2HB   CYS   7          2HB       CYS   7  -8.399   0.786   2.629
   43    H    ARG   8           H        ARG   8  -7.592   2.046   4.572
   44    HA   ARG   8           HA       ARG   8  -5.822   4.080   3.752
   45   1HB   ARG   8          1HB       ARG   8  -8.175   4.239   4.844
   46   2HB   ARG   8          2HB       ARG   8  -7.342   4.092   6.398
   47   1HG   ARG   8          1HG       ARG   8  -5.952   6.120   5.709
   48   2HG   ARG   8          2HG       ARG   8  -6.987   6.247   4.271
   49   1HD   ARG   8          1HD       ARG   8  -8.987   6.295   5.895
   50   2HD   ARG   8          2HD       ARG   8  -7.817   6.541   7.194
   51    HE   ARG   8           HE       ARG   8  -8.868   8.487   5.394
   52   1HH1  ARG   8          2HH2      ARG   8  -5.818   7.762   7.054
   53   2HH1  ARG   8          1HH2      ARG   8  -5.087   9.269   6.760
   54   1HH2  ARG   8          2HH1      ARG   8  -8.145  10.525   5.219
   55   2HH2  ARG   8          1HH1      ARG   8  -6.601  11.035   5.852
   56    H    LYS   9           H        LYS   9  -5.836   2.149   6.796
   57    HA   LYS   9           HA       LYS   9  -3.505   3.273   7.942
   58   1HB   LYS   9          1HB       LYS   9  -5.311   1.655   8.917
   59   2HB   LYS   9          2HB       LYS   9  -4.340   0.356   8.221
   60   1HG   LYS   9          1HG       LYS   9  -2.355   1.455   9.547
   61   2HG   LYS   9          2HG       LYS   9  -3.621   2.322  10.417
   62   1HD   LYS   9          1HD       LYS   9  -3.092  -0.662  10.287
   63   2HD   LYS   9          2HD       LYS   9  -3.036   0.375  11.705
   64   1HE   LYS   9          1HE       LYS   9  -5.537  -0.454  10.155
   65   2HE   LYS   9          2HE       LYS   9  -5.018  -1.106  11.711
   66   1HZ   LYS   9          3HZ       LYS   9  -5.426   1.144  12.652
   67   2HZ   LYS   9          1HZ       LYS   9  -5.981   1.634  11.146
   68   3HZ   LYS   9          2HZ       LYS   9  -6.765   0.521  11.868
   69    H    ILE  10           H        ILE  10  -3.887   0.431   5.823
   70    HA   ILE  10           HA       ILE  10  -1.213  -0.450   5.790
   71    HB   ILE  10           HB       ILE  10  -3.590  -0.814   3.954
   72   1HG1  ILE  10          1HG1      ILE  10  -2.028  -2.848   5.608
   73   2HG1  ILE  10          2HG1      ILE  10  -3.307  -1.881   6.311
   74   1HG2  ILE  10          3HG2      ILE  10  -0.814  -1.961   3.575
   75   2HG2  ILE  10          1HG2      ILE  10  -2.264  -2.687   2.843
   76   3HG2  ILE  10          2HG2      ILE  10  -1.783  -1.060   2.393
   77   1HD1  ILE  10          2HD1      ILE  10  -4.932  -2.773   4.650
   78   2HD1  ILE  10          3HD1      ILE  10  -3.671  -3.825   3.995
   79   3HD1  ILE  10          1HD1      ILE  10  -4.205  -4.036   5.658
   80    H    ILE  11           H        ILE  11  -2.900   1.701   3.409
   81    HA   ILE  11           HA       ILE  11  -0.478   2.186   1.950
   82    HB   ILE  11           HB       ILE  11  -3.088   3.727   2.092
   83   1HG1  ILE  11          1HG1      ILE  11  -3.473   1.601   1.018
   84   2HG1  ILE  11          2HG1      ILE  11  -3.475   2.862  -0.200
   85   1HG2  ILE  11          2HG2      ILE  11  -0.718   4.156   0.220
   86   2HG2  ILE  11          3HG2      ILE  11  -2.320   4.888   0.046
   87   3HG2  ILE  11          1HG2      ILE  11  -1.314   5.299   1.418
   88   1HD1  ILE  11          3HD1      ILE  11  -1.207   2.187  -0.918
   89   2HD1  ILE  11          1HD1      ILE  11  -1.204   0.899   0.315
   90   3HD1  ILE  11          2HD1      ILE  11  -2.375   0.864  -1.010
   91    H    GLN  12           H        GLN  12  -2.058   4.047   4.666
   92    HA   GLN  12           HA       GLN  12  -0.264   6.216   4.509
   93   1HB   GLN  12          1HB       GLN  12  -1.709   5.012   6.894
   94   2HB   GLN  12          2HB       GLN  12  -0.758   6.490   7.011
   95   1HG   GLN  12          1HG       GLN  12  -2.809   6.425   4.824
   96   2HG   GLN  12          2HG       GLN  12  -3.411   6.423   6.469
   97   1HE2  GLN  12          2HE2      GLN  12  -1.278   9.803   5.391
   98   2HE2  GLN  12          1HE2      GLN  12  -0.899   8.375   4.492
   99    H    LYS  13           H        LYS  13   0.175   3.091   6.349
  100    HA   LYS  13           HA       LYS  13   2.725   3.959   7.343
  101   1HB   LYS  13          1HB       LYS  13   1.281   2.087   8.273
  102   2HB   LYS  13          2HB       LYS  13   1.770   1.106   6.894
  103   1HG   LYS  13          1HG       LYS  13   3.044   0.518   8.870
  104   2HG   LYS  13          2HG       LYS  13   4.123   1.164   7.657
  105   1HD   LYS  13          1HD       LYS  13   3.084   3.178   9.629
  106   2HD   LYS  13          2HD       LYS  13   4.076   1.883  10.319
  107   1HE   LYS  13          1HE       LYS  13   5.890   2.363   8.720
  108   2HE   LYS  13          2HE       LYS  13   4.921   3.629   7.972
  109   1HZ   LYS  13          1HZ       LYS  13   5.987   3.777  10.743
  110   2HZ   LYS  13          2HZ       LYS  13   6.425   4.625   9.371
  111   3HZ   LYS  13          3HZ       LYS  13   5.042   4.927   9.946
  112    H    LEU  14           H        LEU  14   1.778   2.608   4.209
  113    HA   LEU  14           HA       LEU  14   4.501   1.882   3.447
  114   1HB   LEU  14          1HB       LEU  14   2.513   0.832   2.372
  115   2HB   LEU  14          2HB       LEU  14   2.013   2.393   1.752
  116    HG   LEU  14           HG       LEU  14   3.928   2.558   0.293
  117   1HD1  LEU  14          1HD1      LEU  14   4.911   0.006   1.622
  118   2HD1  LEU  14          2HD1      LEU  14   5.521   0.602   0.055
  119   3HD1  LEU  14          3HD1      LEU  14   5.750   1.559   1.508
  120   1HD2  LEU  14          3HD2      LEU  14   1.937   1.261  -0.422
  121   2HD2  LEU  14          1HD2      LEU  14   3.421   0.691  -1.191
  122   3HD2  LEU  14          2HD2      LEU  14   2.706  -0.232   0.156
  123    H    GLU  15           H        GLU  15   2.320   4.613   2.899
  124    HA   GLU  15           HA       GLU  15   3.909   6.184   1.182
  125   1HB   GLU  15          1HB       GLU  15   1.437   6.249   1.633
  126   2HB   GLU  15          2HB       GLU  15   1.749   6.781   3.279
  127   1HG   GLU  15          1HG       GLU  15   2.535   8.954   2.432
  128   2HG   GLU  15          2HG       GLU  15   2.281   8.390   0.769
  129    H    ASP  16           H        ASP  16   3.509   6.225   4.724
  130    HA   ASP  16           HA       ASP  16   5.504   8.084   5.456
  131   1HB   ASP  16          1HB       ASP  16   3.820   7.332   6.991
  132   2HB   ASP  16          2HB       ASP  16   4.160   5.642   6.658
  133    H    MET  17           H        MET  17   5.783   4.523   4.988
  134    HA   MET  17           HA       MET  17   8.538   4.519   5.795
  135   1HB   MET  17          1HB       MET  17   6.789   2.460   4.414
  136   2HB   MET  17          2HB       MET  17   8.536   2.222   4.565
  137   1HG   MET  17          1HG       MET  17   8.460   2.388   6.952
  138   2HG   MET  17          2HG       MET  17   6.764   2.827   6.929
  139   1HE   MET  17          1HE       MET  17   9.021  -0.088   5.357
  140   2HE   MET  17          2HE       MET  17   7.833  -1.419   5.352
  141   3HE   MET  17          3HE       MET  17   7.560   0.014   4.351
  142    H    VAL  18           H        VAL  18   7.047   4.508   2.459
  143    HA   VAL  18           HA       VAL  18   9.680   4.108   1.317
  144    HB   VAL  18           HB       VAL  18   7.382   3.576   0.281
  145   1HG1  VAL  18          2HG1      VAL  18   6.392   5.827   0.383
  146   2HG1  VAL  18          3HG1      VAL  18   7.599   6.383  -0.799
  147   3HG1  VAL  18          1HG1      VAL  18   6.434   5.141  -1.260
  148   1HG2  VAL  18          2HG2      VAL  18   9.731   4.630  -1.266
  149   2HG2  VAL  18          3HG2      VAL  18   9.362   2.970  -0.767
  150   3HG2  VAL  18          1HG2      VAL  18   8.357   3.743  -1.995
  151    H    GLY  19           H        GLY  19   7.722   6.912   2.326
  152   1HA   GLY  19          1HA       GLY  19   8.457   8.976   2.866
  153   2HA   GLY  19          2HA       GLY  19  10.104   8.517   2.428
  154    HA   PRO  20           HA       PRO  20   8.791  11.552  -0.764
  155   1HB   PRO  20          1HB       PRO  20  11.241  12.308  -1.707
  156   2HB   PRO  20          2HB       PRO  20  10.665  12.782  -0.081
  157   1HG   PRO  20          1HG       PRO  20  12.449  10.431  -0.808
  158   2HG   PRO  20          2HG       PRO  20  12.740  11.691   0.436
  159   1HD   PRO  20          1HD       PRO  20  11.631   9.262   1.018
  160   2HD   PRO  20          2HD       PRO  20  11.130  10.760   1.882
  161    H    GLN  21           H        GLN  21   9.624  11.843  -3.095
  162    HA   GLN  21           HA       GLN  21   8.415  10.285  -4.838
  163   1HB   GLN  21          1HB       GLN  21  11.055  11.658  -5.358
  164   2HB   GLN  21          2HB       GLN  21   9.949  11.084  -6.606
  165   1HG   GLN  21          1HG       GLN  21   9.261  13.211  -4.520
  166   2HG   GLN  21          2HG       GLN  21   9.770  13.518  -6.172
  167   1HE2  GLN  21          2HE2      GLN  21   5.937  12.254  -5.576
  168   2HE2  GLN  21          1HE2      GLN  21   7.052  12.099  -4.216
  169    HA   PRO  22           HA       PRO  22  10.873   6.527  -4.310
  170   1HB   PRO  22          1HB       PRO  22   8.949   4.705  -4.185
  171   2HB   PRO  22          2HB       PRO  22   9.134   5.958  -2.919
  172   1HG   PRO  22          1HG       PRO  22   7.234   6.054  -5.283
  173   2HG   PRO  22          2HG       PRO  22   6.858   6.228  -3.528
  174   1HD   PRO  22          1HD       PRO  22   7.361   8.421  -5.118
  175   2HD   PRO  22          2HD       PRO  22   7.816   8.337  -3.399
  176    H    ASN  23           H        ASN  23  10.685   4.281  -5.600
  177    HA   ASN  23           HA       ASN  23   9.857   4.597  -8.411
  178   1HB   ASN  23          1HB       ASN  23  11.938   3.626  -9.203
  179   2HB   ASN  23          2HB       ASN  23  12.310   5.075  -8.267
  180   1HD2  ASN  23          2HD2      ASN  23  14.036   1.665  -7.090
  181   2HD2  ASN  23          1HD2      ASN  23  13.360   1.854  -8.694
  182    H    GLU  24           H        GLU  24   9.531   2.550  -9.398
  183    HA   GLU  24           HA       GLU  24   7.777   0.888  -8.296
  184   1HB   GLU  24          1HB       GLU  24   8.393   1.118 -10.674
  185   2HB   GLU  24          2HB       GLU  24   9.896   0.278 -10.371
  186   1HG   GLU  24          1HG       GLU  24   8.654  -1.372 -11.358
  187   2HG   GLU  24          2HG       GLU  24   8.379  -1.761  -9.671
  188    H    ASP  25           H        ASP  25  11.330   0.188  -8.079
  189    HA   ASP  25           HA       ASP  25  10.866  -2.416  -6.873
  190   1HB   ASP  25          1HB       ASP  25  12.995  -2.059  -7.972
  191   2HB   ASP  25          2HB       ASP  25  13.377  -0.706  -6.885
  192    H    THR  26           H        THR  26  12.111   0.710  -5.503
  193    HA   THR  26           HA       THR  26  12.132  -0.039  -2.895
  194    HB   THR  26           HB       THR  26  11.427   2.738  -3.927
  195    HG1  THR  26           HG1      THR  26  13.351   2.761  -4.744
  196   1HG2  THR  26          1HG2      THR  26  11.451   2.483  -1.423
  197   2HG2  THR  26          2HG2      THR  26  13.101   1.845  -1.527
  198   3HG2  THR  26          3HG2      THR  26  12.758   3.520  -2.015
  199    H    VAL  27           H        VAL  27   9.308   1.129  -4.736
  200    HA   VAL  27           HA       VAL  27   7.554   1.185  -2.431
  201    HB   VAL  27           HB       VAL  27   6.716   0.703  -5.326
  202   1HG1  VAL  27          1HG1      VAL  27   5.245   1.655  -2.815
  203   2HG1  VAL  27          2HG1      VAL  27   4.581   1.759  -4.450
  204   3HG1  VAL  27          3HG1      VAL  27   4.929   0.173  -3.750
  205   1HG2  VAL  27          1HG2      VAL  27   6.970   3.334  -3.805
  206   2HG2  VAL  27          2HG2      VAL  27   7.941   2.842  -5.196
  207   3HG2  VAL  27          3HG2      VAL  27   6.225   3.126  -5.409
  208    H    THR  28           H        THR  28   8.306  -1.381  -4.881
  209    HA   THR  28           HA       THR  28   6.495  -3.317  -3.903
  210    HB   THR  28           HB       THR  28   9.087  -3.537  -5.494
  211    HG1  THR  28           HG1      THR  28   7.678  -2.486  -6.689
  212   1HG2  THR  28          1HG2      THR  28   6.910  -5.620  -5.054
  213   2HG2  THR  28          2HG2      THR  28   8.205  -5.706  -6.273
  214   3HG2  THR  28          3HG2      THR  28   8.615  -5.737  -4.555
  215    H    GLN  29           H        GLN  29  10.010  -2.815  -3.096
  216    HA   GLN  29           HA       GLN  29   9.986  -5.009  -1.221
  217   1HB   GLN  29          1HB       GLN  29  12.115  -4.109  -0.383
  218   2HB   GLN  29          2HB       GLN  29  12.083  -4.493  -2.100
  219   1HG   GLN  29          1HG       GLN  29  12.178  -2.258  -2.757
  220   2HG   GLN  29          2HG       GLN  29  11.729  -1.645  -1.153
  221   1HE2  GLN  29          2HE2      GLN  29  15.622  -2.123  -2.005
  222   2HE2  GLN  29          1HE2      GLN  29  14.383  -2.226  -3.244
  223    H    ALA  30           H        ALA  30   9.649  -1.421  -0.761
  224    HA   ALA  30           HA       ALA  30   9.459  -1.496   2.039
  225   1HB   ALA  30          2HB       ALA  30   9.714   0.608   0.791
  226   2HB   ALA  30          3HB       ALA  30   8.079   0.425   0.114
  227   3HB   ALA  30          1HB       ALA  30   8.299   0.677   1.857
  228    H    ALA  31           H        ALA  31   6.934  -1.991  -0.421
  229    HA   ALA  31           HA       ALA  31   4.741  -2.136   1.443
  230   1HB   ALA  31          2HB       ALA  31   4.586  -1.408  -0.968
  231   2HB   ALA  31          3HB       ALA  31   5.027  -3.040  -1.495
  232   3HB   ALA  31          1HB       ALA  31   3.503  -2.756  -0.655
  233    H    SER  32           H        SER  32   6.548  -4.710  -0.426
  234    HA   SER  32           HA       SER  32   5.017  -6.888   0.648
  235   1HB   SER  32          1HB       SER  32   7.042  -8.276   0.092
  236   2HB   SER  32          2HB       SER  32   6.417  -7.300  -1.250
  237    HG   SER  32           HG       SER  32   8.078  -5.892  -1.038
  238    H    GLN  33           H        GLN  33   7.505  -4.925   2.042
  239    HA   GLN  33           HA       GLN  33   7.640  -6.429   4.535
  240   1HB   GLN  33          1HB       GLN  33   8.815  -3.837   3.475
  241   2HB   GLN  33          2HB       GLN  33   8.859  -4.165   5.189
  242   1HG   GLN  33          1HG       GLN  33   9.936  -6.166   3.146
  243   2HG   GLN  33          2HG       GLN  33  10.920  -4.853   3.824
  244   1HE2  GLN  33          2HE2      GLN  33  10.079  -8.063   6.189
  245   2HE2  GLN  33          1HE2      GLN  33   9.727  -8.035   4.468
  246    H    VAL  34           H        VAL  34   6.062  -3.329   3.433
  247    HA   VAL  34           HA       VAL  34   5.373  -2.375   5.901
  248    HB   VAL  34           HB       VAL  34   4.908  -1.401   3.511
  249   1HG1  VAL  34          3HG1      VAL  34   3.038  -3.090   2.824
  250   2HG1  VAL  34          1HG1      VAL  34   2.028  -2.179   3.914
  251   3HG1  VAL  34          2HG1      VAL  34   2.792  -1.385   2.534
  252   1HG2  VAL  34          1HG2      VAL  34   3.133  -0.885   5.838
  253   2HG2  VAL  34          2HG2      VAL  34   4.633  -0.036   5.299
  254   3HG2  VAL  34          3HG2      VAL  34   3.147   0.082   4.352
  255    H    CYS  35           H        CYS  35   3.692  -4.743   3.891
  256    HA   CYS  35           HA       CYS  35   1.455  -5.167   5.617
  257   1HB   CYS  35          1HB       CYS  35   2.882  -7.012   3.622
  258   2HB   CYS  35          2HB       CYS  35   1.323  -7.355   4.379
  259    H    ASP  36           H        ASP  36   4.568  -6.954   5.201
  260    HA   ASP  36           HA       ASP  36   3.825  -9.083   6.897
  261   1HB   ASP  36          1HB       ASP  36   5.739  -8.888   5.177
  262   2HB   ASP  36          2HB       ASP  36   6.665  -8.157   6.495
  263    H    LYS  37           H        LYS  37   5.385  -6.057   7.415
  264    HA   LYS  37           HA       LYS  37   6.145  -6.217  10.138
  265   1HB   LYS  37          1HB       LYS  37   7.150  -4.998   8.209
  266   2HB   LYS  37          2HB       LYS  37   5.834  -3.821   8.258
  267   1HG   LYS  37          1HG       LYS  37   6.840  -2.656   9.936
  268   2HG   LYS  37          2HG       LYS  37   7.287  -4.123  10.820
  269   1HD   LYS  37          1HD       LYS  37   9.292  -2.932  10.075
  270   2HD   LYS  37          2HD       LYS  37   9.159  -4.537   9.328
  271   1HE   LYS  37          1HE       LYS  37   8.219  -3.354   7.263
  272   2HE   LYS  37          2HE       LYS  37   8.703  -1.829   8.021
  273   1HZ   LYS  37          2HZ       LYS  37  11.000  -2.772   8.093
  274   2HZ   LYS  37          3HZ       LYS  37  10.480  -4.085   7.241
  275   3HZ   LYS  37          1HZ       LYS  37  10.437  -2.601   6.565
  276    H    LEU  38           H        LEU  38   3.275  -4.837   8.489
  277    HA   LEU  38           HA       LEU  38   2.165  -3.642  10.916
  278   1HB   LEU  38          1HB       LEU  38   1.062  -4.382   8.177
  279   2HB   LEU  38          2HB       LEU  38  -0.005  -3.842   9.457
  280    HG   LEU  38           HG       LEU  38   2.317  -2.109   8.534
  281   1HD1  LEU  38          1HD1      LEU  38  -0.560  -2.147   7.500
  282   2HD1  LEU  38          2HD1      LEU  38   0.688  -0.951   7.079
  283   3HD1  LEU  38          3HD1      LEU  38   0.885  -2.630   6.580
  284   1HD2  LEU  38          2HD2      LEU  38  -0.317  -1.488   9.952
  285   2HD2  LEU  38          3HD2      LEU  38   1.309  -1.449  10.678
  286   3HD2  LEU  38          1HD2      LEU  38   0.871  -0.290   9.419
  287    H    LYS  39           H        LYS  39   2.234  -5.267  12.471
  288    HA   LYS  39           HA       LYS  39   1.380  -7.939  11.879
  289   1HB   LYS  39          1HB       LYS  39   1.647  -8.382  14.292
  290   2HB   LYS  39          2HB       LYS  39   3.030  -7.540  13.599
  291   1HG   LYS  39          1HG       LYS  39   2.201  -5.391  14.586
  292   2HG   LYS  39          2HG       LYS  39   0.851  -6.272  15.325
  293   1HD   LYS  39          1HD       LYS  39   2.453  -7.657  16.612
  294   2HD   LYS  39          2HD       LYS  39   3.812  -6.820  15.832
  295   1HE   LYS  39          1HE       LYS  39   3.032  -4.663  16.810
  296   2HE   LYS  39          2HE       LYS  39   1.705  -5.510  17.615
  297   1HZ   LYS  39          1HZ       LYS  39   4.588  -5.974  18.121
  298   2HZ   LYS  39          2HZ       LYS  39   3.565  -5.153  19.101
  299   3HZ   LYS  39          3HZ       LYS  39   3.355  -6.761  18.877
  300    H    ILE  40           H        ILE  40  -0.442  -9.055  12.948
  301    HA   ILE  40           HA       ILE  40  -2.632  -9.424  13.325
  302    HB   ILE  40           HB       ILE  40  -3.034  -6.436  13.799
  303   1HG1  ILE  40          1HG1      ILE  40  -1.559  -7.298  15.515
  304   2HG1  ILE  40          2HG1      ILE  40  -3.149  -6.965  16.175
  305   1HG2  ILE  40          2HG2      ILE  40  -4.943  -8.742  14.243
  306   2HG2  ILE  40          3HG2      ILE  40  -5.165  -7.081  14.833
  307   3HG2  ILE  40          1HG2      ILE  40  -5.111  -7.394  13.104
  308   1HD1  ILE  40          1HD1      ILE  40  -3.681  -9.407  16.125
  309   2HD1  ILE  40          2HD1      ILE  40  -2.046  -9.730  15.497
  310   3HD1  ILE  40          3HD1      ILE  40  -2.258  -9.033  17.109
  311    H    LEU  41           H        LEU  41  -2.276  -6.326  11.524
  312    HA   LEU  41           HA       LEU  41  -4.304  -7.163   9.631
  313   1HB   LEU  41          1HB       LEU  41  -3.775  -4.828  10.648
  314   2HB   LEU  41          2HB       LEU  41  -2.465  -4.751   9.472
  315    HG   LEU  41           HG       LEU  41  -4.158  -4.944   7.637
  316   1HD1  LEU  41          1HD1      LEU  41  -6.177  -4.835   9.927
  317   2HD1  LEU  41          2HD1      LEU  41  -6.577  -4.566   8.228
  318   3HD1  LEU  41          3HD1      LEU  41  -5.995  -6.147   8.743
  319   1HD2  LEU  41          3HD2      LEU  41  -3.381  -2.742   8.527
  320   2HD2  LEU  41          1HD2      LEU  41  -5.028  -2.678   7.884
  321   3HD2  LEU  41          2HD2      LEU  41  -4.769  -2.735   9.639
  322    H    ARG  42           H        ARG  42  -1.170  -8.112   9.795
  323    HA   ARG  42           HA       ARG  42  -0.099  -7.989   7.248
  324   1HB   ARG  42          1HB       ARG  42   1.137  -8.908   9.118
  325   2HB   ARG  42          2HB       ARG  42   0.015 -10.263   9.296
  326   1HG   ARG  42          1HG       ARG  42   0.787 -11.278   7.224
  327   2HG   ARG  42          2HG       ARG  42   1.629  -9.794   6.781
  328   1HD   ARG  42          1HD       ARG  42   3.363 -11.186   7.394
  329   2HD   ARG  42          2HD       ARG  42   3.132 -10.165   8.809
  330    HE   ARG  42           HE       ARG  42   1.677 -12.527   9.232
  331   1HH1  ARG  42          2HH2      ARG  42   5.157 -11.464   8.860
  332   2HH1  ARG  42          1HH2      ARG  42   5.751 -12.741   9.771
  333   1HH2  ARG  42          2HH1      ARG  42   2.604 -14.267  10.510
  334   2HH2  ARG  42          1HH1      ARG  42   4.307 -14.340  10.733
  335    H    GLY  43           H        GLY  43  -2.527 -10.294   8.504
  336   1HA   GLY  43          1HA       GLY  43  -2.703 -11.965   6.218
  337   2HA   GLY  43          2HA       GLY  43  -3.957 -11.749   7.447
  338    H    LEU  44           H        LEU  44  -4.065  -8.728   6.772
  339    HA   LEU  44           HA       LEU  44  -5.940  -9.009   4.527
  340   1HB   LEU  44          1HB       LEU  44  -6.492  -7.831   6.700
  341   2HB   LEU  44          2HB       LEU  44  -5.428  -6.523   6.200
  342    HG   LEU  44           HG       LEU  44  -7.573  -7.499   4.279
  343   1HD1  LEU  44          1HD1      LEU  44  -8.122  -5.722   6.687
  344   2HD1  LEU  44          2HD1      LEU  44  -9.230  -5.970   5.323
  345   3HD1  LEU  44          3HD1      LEU  44  -8.803  -7.326   6.371
  346   1HD2  LEU  44          1HD2      LEU  44  -6.464  -4.740   4.926
  347   2HD2  LEU  44          2HD2      LEU  44  -6.020  -5.736   3.535
  348   3HD2  LEU  44          3HD2      LEU  44  -7.666  -5.101   3.676
  349    H    CYS  45           H        CYS  45  -3.223  -6.676   5.370
  350    HA   CYS  45           HA       CYS  45  -2.822  -5.623   2.956
  351   1HB   CYS  45          1HB       CYS  45  -1.836  -5.079   5.180
  352   2HB   CYS  45          2HB       CYS  45  -0.715  -6.412   4.996
  353    H    LYS  46           H        LYS  46  -1.102  -8.681   3.995
  354    HA   LYS  46           HA       LYS  46   0.336  -8.873   1.519
  355   1HB   LYS  46          1HB       LYS  46  -0.538 -11.193   3.274
  356   2HB   LYS  46          2HB       LYS  46   0.701 -11.262   2.031
  357   1HG   LYS  46          1HG       LYS  46   0.919  -9.515   4.503
  358   2HG   LYS  46          2HG       LYS  46   1.436 -11.178   4.486
  359   1HD   LYS  46          1HD       LYS  46   2.654  -9.151   2.577
  360   2HD   LYS  46          2HD       LYS  46   3.156  -9.306   4.261
  361   1HE   LYS  46          1HE       LYS  46   3.400 -11.892   3.610
  362   2HE   LYS  46          2HE       LYS  46   3.611 -11.204   1.993
  363   1HZ   LYS  46          3HZ       LYS  46   5.388  -9.753   3.136
  364   2HZ   LYS  46          1HZ       LYS  46   5.270 -10.799   4.414
  365   3HZ   LYS  46          2HZ       LYS  46   5.740 -11.354   2.973
  366    H    LYS  47           H        LYS  47  -2.971  -9.867   2.392
  367    HA   LYS  47           HA       LYS  47  -3.424 -11.394  -0.026
  368   1HB   LYS  47          1HB       LYS  47  -4.644 -11.682   2.149
  369   2HB   LYS  47          2HB       LYS  47  -5.489 -10.152   1.845
  370   1HG   LYS  47          1HG       LYS  47  -6.398 -11.104  -0.267
  371   2HG   LYS  47          2HG       LYS  47  -5.581 -12.632   0.075
  372   1HD   LYS  47          1HD       LYS  47  -7.769 -11.352   1.792
  373   2HD   LYS  47          2HD       LYS  47  -7.985 -12.642   0.620
  374   1HE   LYS  47          1HE       LYS  47  -7.876 -13.924   2.484
  375   2HE   LYS  47          2HE       LYS  47  -6.172 -13.931   2.035
  376   1HZ   LYS  47          1HZ       LYS  47  -7.433 -12.204   4.089
  377   2HZ   LYS  47          2HZ       LYS  47  -6.491 -13.509   4.381
  378   3HZ   LYS  47          3HZ       LYS  47  -5.830 -12.162   3.724
  379    H    ILE  48           H        ILE  48  -4.016  -7.966   0.916
  380    HA   ILE  48           HA       ILE  48  -5.380  -7.115  -1.429
  381    HB   ILE  48           HB       ILE  48  -3.400  -5.708   0.392
  382   1HG1  ILE  48          1HG1      ILE  48  -5.780  -6.421   1.190
  383   2HG1  ILE  48          2HG1      ILE  48  -5.079  -4.862   1.614
  384   1HG2  ILE  48          2HG2      ILE  48  -4.965  -4.340  -1.803
  385   2HG2  ILE  48          3HG2      ILE  48  -4.058  -3.539  -0.507
  386   3HG2  ILE  48          1HG2      ILE  48  -3.204  -4.516  -1.696
  387   1HD1  ILE  48          3HD1      ILE  48  -7.107  -5.234  -0.613
  388   2HD1  ILE  48          1HD1      ILE  48  -7.478  -4.732   1.053
  389   3HD1  ILE  48          2HD1      ILE  48  -6.481  -3.694   0.037
  390    H    MET  49           H        MET  49  -1.838  -7.235  -0.719
  391    HA   MET  49           HA       MET  49  -1.025  -6.491  -3.359
  392   1HB   MET  49          1HB       MET  49   0.413  -7.865  -1.076
  393   2HB   MET  49          2HB       MET  49   1.191  -7.416  -2.610
  394   1HG   MET  49          1HG       MET  49   0.383  -5.082  -2.351
  395   2HG   MET  49          2HG       MET  49  -0.409  -5.524  -0.839
  396   1HE   MET  49          3HE       MET  49   0.286  -3.857   0.566
  397   2HE   MET  49          1HE       MET  49   1.937  -3.274   0.821
  398   3HE   MET  49          2HE       MET  49   1.130  -2.989  -0.735
  399    H    ARG  50           H        ARG  50  -1.651  -9.822  -2.036
  400    HA   ARG  50           HA       ARG  50  -0.731 -11.216  -4.293
  401   1HB   ARG  50          1HB       ARG  50  -1.798 -12.098  -2.119
  402   2HB   ARG  50          2HB       ARG  50  -3.358 -11.921  -2.892
  403   1HG   ARG  50          1HG       ARG  50  -1.172 -13.567  -4.230
  404   2HG   ARG  50          2HG       ARG  50  -2.030 -14.201  -2.844
  405   1HD   ARG  50          1HD       ARG  50  -3.115 -15.145  -4.672
  406   2HD   ARG  50          2HD       ARG  50  -4.215 -13.887  -4.079
  407    HE   ARG  50           HE       ARG  50  -2.590 -12.730  -6.053
  408   1HH1  ARG  50          2HH2      ARG  50  -5.007 -15.329  -6.101
  409   2HH1  ARG  50          1HH2      ARG  50  -5.607 -14.904  -7.661
  410   1HH2  ARG  50          2HH1      ARG  50  -3.367 -12.136  -8.000
  411   2HH2  ARG  50          1HH1      ARG  50  -4.598 -13.028  -8.822
  412    H    SER  51           H        SER  51  -3.814  -9.463  -3.895
  413    HA   SER  51           HA       SER  51  -4.703 -10.264  -6.575
  414   1HB   SER  51          1HB       SER  51  -6.092 -10.098  -4.413
  415   2HB   SER  51          2HB       SER  51  -6.051  -8.345  -4.648
  416    HG   SER  51           HG       SER  51  -7.136  -8.622  -6.577
  417    H    PHE  52           H        PHE  52  -3.283  -7.333  -5.065
  418    HA   PHE  52           HA       PHE  52  -3.437  -5.967  -7.722
  419   1HB   PHE  52          1HB       PHE  52  -3.973  -4.577  -5.086
  420   2HB   PHE  52          2HB       PHE  52  -4.402  -4.049  -6.696
  421    HD1  PHE  52           HD1      PHE  52  -6.230  -5.636  -7.944
  422    HD2  PHE  52           HD2      PHE  52  -5.627  -5.325  -3.687
  423    HE1  PHE  52           HE1      PHE  52  -8.566  -6.374  -7.545
  424    HE2  PHE  52           HE2      PHE  52  -7.965  -6.054  -3.298
  425    HZ   PHE  52           HZ       PHE  52  -9.434  -6.583  -5.229
  426    H    LEU  53           H        LEU  53  -0.919  -7.154  -6.447
  427    HA   LEU  53           HA       LEU  53   0.465  -5.328  -4.950
  428   1HB   LEU  53          1HB       LEU  53   1.144  -7.730  -5.713
  429   2HB   LEU  53          2HB       LEU  53   1.871  -6.966  -7.086
  430    HG   LEU  53           HG       LEU  53   2.512  -6.449  -4.147
  431   1HD1  LEU  53          3HD1      LEU  53   3.167  -8.682  -4.944
  432   2HD1  LEU  53          1HD1      LEU  53   4.093  -7.941  -6.270
  433   3HD1  LEU  53          2HD1      LEU  53   4.581  -7.681  -4.584
  434   1HD2  LEU  53          2HD2      LEU  53   3.863  -5.273  -6.595
  435   2HD2  LEU  53          3HD2      LEU  53   3.131  -4.418  -5.205
  436   3HD2  LEU  53          1HD2      LEU  53   4.597  -5.333  -4.980
  437    H    ARG  54           H        ARG  54   0.993  -5.545  -8.580
  438    HA   ARG  54           HA       ARG  54   2.534  -3.168  -8.477
  439   1HB   ARG  54          1HB       ARG  54   2.527  -4.918 -10.329
  440   2HB   ARG  54          2HB       ARG  54   1.130  -4.062 -11.015
  441   1HG   ARG  54          1HG       ARG  54   2.463  -2.000 -11.225
  442   2HG   ARG  54          2HG       ARG  54   3.786  -2.732 -10.307
  443   1HD   ARG  54          1HD       ARG  54   4.131  -4.377 -12.139
  444   2HD   ARG  54          2HD       ARG  54   2.856  -3.559 -13.076
  445    HE   ARG  54           HE       ARG  54   4.983  -1.782 -12.114
  446   1HH1  ARG  54          2HH2      ARG  54   4.233  -4.012 -14.779
  447   2HH1  ARG  54          1HH2      ARG  54   5.310  -3.231 -15.888
  448   1HH2  ARG  54          2HH1      ARG  54   6.307  -0.825 -13.467
  449   2HH2  ARG  54          1HH1      ARG  54   6.588  -1.293 -15.127
  450    H    ARG  55           H        ARG  55  -0.996  -3.405  -8.259
  451    HA   ARG  55           HA       ARG  55  -1.412  -0.760  -9.309
  452   1HB   ARG  55          1HB       ARG  55  -3.140  -2.747  -7.901
  453   2HB   ARG  55          2HB       ARG  55  -3.563  -1.058  -7.964
  454   1HG   ARG  55          1HG       ARG  55  -2.852  -1.441 -10.599
  455   2HG   ARG  55          2HG       ARG  55  -3.352  -3.068 -10.140
  456   1HD   ARG  55          1HD       ARG  55  -5.172  -2.156 -11.148
  457   2HD   ARG  55          2HD       ARG  55  -5.533  -2.001  -9.403
  458    HE   ARG  55           HE       ARG  55  -4.391   0.426 -10.252
  459   1HH1  ARG  55          2HH2      ARG  55  -7.436  -1.299 -11.066
  460   2HH1  ARG  55          1HH2      ARG  55  -8.320   0.190 -11.161
  461   1HH2  ARG  55          2HH1      ARG  55  -5.647   2.302 -10.414
  462   2HH2  ARG  55          1HH1      ARG  55  -7.318   2.241 -10.516
  463    H    ILE  56           H        ILE  56  -0.752  -2.280  -6.046
  464    HA   ILE  56           HA       ILE  56  -0.953   0.239  -4.667
  465    HB   ILE  56           HB       ILE  56   0.748  -2.131  -3.845
  466   1HG1  ILE  56          1HG1      ILE  56  -1.373  -3.102  -4.034
  467   2HG1  ILE  56          2HG1      ILE  56  -1.278  -2.635  -2.354
  468   1HG2  ILE  56          1HG2      ILE  56  -0.390   0.277  -2.374
  469   2HG2  ILE  56          2HG2      ILE  56   0.254  -1.149  -1.537
  470   3HG2  ILE  56          3HG2      ILE  56   1.307  -0.177  -2.565
  471   1HD1  ILE  56          2HD1      ILE  56  -2.647  -0.551  -2.962
  472   2HD1  ILE  56          3HD1      ILE  56  -2.884  -1.279  -4.561
  473   3HD1  ILE  56          1HD1      ILE  56  -3.489  -2.109  -3.133
  474    H    SER  57           H        SER  57   1.600  -1.168  -6.700
  475    HA   SER  57           HA       SER  57   3.596   0.735  -5.962
  476   1HB   SER  57          1HB       SER  57   3.865  -1.480  -7.247
  477   2HB   SER  57          2HB       SER  57   3.386  -0.561  -8.689
  478    HG   SER  57           HG       SER  57   5.532  -0.540  -8.556
  479    H    TRP  58           H        TRP  58   1.438   0.648  -8.877
  480    HA   TRP  58           HA       TRP  58   1.800   3.213  -9.857
  481   1HB   TRP  58          1HB       TRP  58   0.366   2.163 -11.251
  482   2HB   TRP  58          2HB       TRP  58  -0.374   1.222  -9.971
  483    HD1  TRP  58           HD1      TRP  58  -0.596   4.864 -11.289
  484    HE1  TRP  58           HE1      TRP  58  -2.866   5.815 -10.791
  485    HE3  TRP  58           HE3      TRP  58  -2.585   0.863  -8.889
  486    HZ2  TRP  58           HZ2      TRP  58  -5.316   4.931  -9.300
  487    HZ3  TRP  58           HZ3      TRP  58  -4.712   1.005  -7.720
  488    HH2  TRP  58           HH2      TRP  58  -6.096   2.992  -7.883
  489    H    ASP  59           H        ASP  59  -0.394   2.298  -7.224
  490    HA   ASP  59           HA       ASP  59  -1.685   4.713  -6.758
  491   1HB   ASP  59          1HB       ASP  59  -0.861   2.440  -4.888
  492   2HB   ASP  59          2HB       ASP  59  -1.667   3.833  -4.273
  493    HD2  ASP  59           HD2      ASP  59  -4.142   1.357  -5.636
  494    H    ILE  60           H        ILE  60   1.272   3.581  -5.074
  495    HA   ILE  60           HA       ILE  60   1.790   6.083  -3.763
  496    HB   ILE  60           HB       ILE  60   3.180   3.452  -4.127
  497   1HG1  ILE  60          1HG1      ILE  60   3.188   3.397  -1.708
  498   2HG1  ILE  60          2HG1      ILE  60   2.598   5.051  -1.600
  499   1HG2  ILE  60          3HG2      ILE  60   4.519   5.900  -2.924
  500   2HG2  ILE  60          1HG2      ILE  60   5.090   4.221  -2.780
  501   3HG2  ILE  60          2HG2      ILE  60   5.039   4.991  -4.364
  502   1HD1  ILE  60          1HD1      ILE  60   0.995   2.717  -2.707
  503   2HD1  ILE  60          2HD1      ILE  60   0.910   3.345  -1.057
  504   3HD1  ILE  60          3HD1      ILE  60   0.404   4.375  -2.405
  505    H    LEU  61           H        LEU  61   3.103   4.587  -6.773
  506    HA   LEU  61           HA       LEU  61   5.054   6.556  -7.272
  507   1HB   LEU  61          1HB       LEU  61   3.472   4.805  -9.188
  508   2HB   LEU  61          2HB       LEU  61   4.825   5.805  -9.699
  509    HG   LEU  61           HG       LEU  61   5.122   3.663  -7.557
  510   1HD1  LEU  61          3HD1      LEU  61   4.348   2.613  -9.658
  511   2HD1  LEU  61          1HD1      LEU  61   5.649   3.428 -10.554
  512   3HD1  LEU  61          2HD1      LEU  61   6.027   2.205  -9.321
  513   1HD2  LEU  61          2HD2      LEU  61   6.930   5.388  -7.636
  514   2HD2  LEU  61          3HD2      LEU  61   7.472   3.767  -8.054
  515   3HD2  LEU  61          1HD2      LEU  61   7.216   4.974  -9.336
  516    H    THR  62           H        THR  62   1.605   6.556  -8.212
  517    HA   THR  62           HA       THR  62   1.895   9.164  -9.554
  518    HB   THR  62           HB       THR  62  -0.582   8.994  -9.848
  519    HG1  THR  62           HG1      THR  62  -0.216   6.398  -8.738
  520   1HG2  THR  62          3HG2      THR  62   1.009   8.223 -11.561
  521   2HG2  THR  62          1HG2      THR  62   1.019   6.602 -10.843
  522   3HG2  THR  62          2HG2      THR  62  -0.476   7.263 -11.556
  523    H    GLY  63           H        GLY  63   2.312   8.581  -6.514
  524   1HA   GLY  63          1HA       GLY  63   1.811   9.351  -4.465
  525   2HA   GLY  63          2HA       GLY  63   1.952  10.919  -5.277
  526    H    LYS  64           H        LYS  64  -0.612   8.344  -5.427
  527    HA   LYS  64           HA       LYS  64  -2.584  10.536  -5.169
  528   1HB   LYS  64          1HB       LYS  64  -2.852   8.846  -6.897
  529   2HB   LYS  64          2HB       LYS  64  -2.833   7.534  -5.719
  530   1HG   LYS  64          1HG       LYS  64  -5.021   7.826  -5.143
  531   2HG   LYS  64          2HG       LYS  64  -4.926   9.583  -5.211
  532   1HD   LYS  64          1HD       LYS  64  -6.502   8.611  -6.848
  533   2HD   LYS  64          2HD       LYS  64  -5.259   9.646  -7.559
  534   1HE   LYS  64          1HE       LYS  64  -4.021   7.722  -8.385
  535   2HE   LYS  64          2HE       LYS  64  -5.101   6.596  -7.547
  536   1HZ   LYS  64          1HZ       LYS  64  -6.152   8.457  -9.594
  537   2HZ   LYS  64          2HZ       LYS  64  -5.577   6.957  -9.967
  538   3HZ   LYS  64          3HZ       LYS  64  -6.834   7.063  -9.004
  539    H    LYS  65           H        LYS  65  -3.944  10.683  -3.348
  540    HA   LYS  65           HA       LYS  65  -2.575   9.794  -0.943
  541   1HB   LYS  65          1HB       LYS  65  -5.176  11.339  -1.317
  542   2HB   LYS  65          2HB       LYS  65  -4.438  11.051   0.248
  543   1HG   LYS  65          1HG       LYS  65  -3.274  12.689  -2.046
  544   2HG   LYS  65          2HG       LYS  65  -3.831  13.245  -0.478
  545   1HD   LYS  65          1HD       LYS  65  -1.588  13.303  -0.078
  546   2HD   LYS  65          2HD       LYS  65  -1.904  11.650   0.453
  547   1HE   LYS  65          1HE       LYS  65  -1.252  10.931  -1.952
  548   2HE   LYS  65          2HE       LYS  65  -0.727  12.589  -2.219
  549   1HZ   LYS  65          1HZ       LYS  65   0.301  10.733  -0.149
  550   2HZ   LYS  65          2HZ       LYS  65   1.065  11.110  -1.544
  551   3HZ   LYS  65          3HZ       LYS  65   0.855  12.260  -0.379
  552    HA   PRO  66           HA       PRO  66  -4.183   5.986   0.090
  553   1HB   PRO  66          1HB       PRO  66  -5.005   6.248   2.789
  554   2HB   PRO  66          2HB       PRO  66  -3.344   5.971   2.217
  555   1HG   PRO  66          1HG       PRO  66  -4.650   8.613   2.868
  556   2HG   PRO  66          2HG       PRO  66  -3.012   8.026   3.306
  557   1HD   PRO  66          1HD       PRO  66  -3.217   9.667   1.277
  558   2HD   PRO  66          2HD       PRO  66  -2.247   8.181   1.048
  559    H    GLN  67           H        GLN  67  -6.414   8.432   1.442
  560    HA   GLN  67           HA       GLN  67  -8.664   6.707   1.483
  561   1HB   GLN  67          1HB       GLN  67  -8.201   8.932   2.671
  562   2HB   GLN  67          2HB       GLN  67  -8.743   9.741   1.197
  563   1HG   GLN  67          1HG       GLN  67 -10.964   8.810   1.421
  564   2HG   GLN  67          2HG       GLN  67 -10.433   7.668   2.665
  565   1HE2  GLN  67          2HE2      GLN  67 -11.924  11.065   4.000
  566   2HE2  GLN  67          1HE2      GLN  67 -12.309  10.316   2.469
  567    H    ALA  68           H        ALA  68  -7.206   8.513  -1.177
  568    HA   ALA  68           HA       ALA  68  -9.538   8.132  -2.935
  569   1HB   ALA  68          1HB       ALA  68  -8.145  10.148  -3.218
  570   2HB   ALA  68          2HB       ALA  68  -6.716   9.133  -3.529
  571   3HB   ALA  68          3HB       ALA  68  -8.085   9.112  -4.656
  572    H    ILE  69           H        ILE  69  -6.246   6.728  -2.395
  573    HA   ILE  69           HA       ILE  69  -6.163   4.945  -4.550
  574    HB   ILE  69           HB       ILE  69  -5.066   4.832  -1.715
  575   1HG1  ILE  69          1HG1      ILE  69  -3.649   5.194  -4.373
  576   2HG1  ILE  69          2HG1      ILE  69  -4.207   6.506  -3.406
  577   1HG2  ILE  69          2HG2      ILE  69  -4.922   2.666  -3.791
  578   2HG2  ILE  69          3HG2      ILE  69  -3.591   2.874  -2.641
  579   3HG2  ILE  69          1HG2      ILE  69  -5.216   2.543  -2.059
  580   1HD1  ILE  69          3HD1      ILE  69  -2.273   4.483  -2.231
  581   2HD1  ILE  69          1HD1      ILE  69  -1.753   5.869  -3.180
  582   3HD1  ILE  69          2HD1      ILE  69  -2.668   6.126  -1.687
  583    H    CYS  70           H        CYS  70  -7.500   4.276  -1.306
  584    HA   CYS  70           HA       CYS  70  -8.433   1.599  -1.840
  585   1HB   CYS  70          1HB       CYS  70  -9.496   3.807   0.026
  586   2HB   CYS  70          2HB       CYS  70  -9.755   2.087   0.248
  587    H    VAL  71           H        VAL  71 -10.114   4.830  -2.412
  588    HA   VAL  71           HA       VAL  71 -12.514   3.370  -3.151
  589    HB   VAL  71           HB       VAL  71 -11.787   6.281  -3.497
  590   1HG1  VAL  71          3HG1      VAL  71 -13.651   5.523  -5.052
  591   2HG1  VAL  71          1HG1      VAL  71 -14.559   5.003  -3.617
  592   3HG1  VAL  71          2HG1      VAL  71 -14.156   6.711  -3.843
  593   1HG2  VAL  71          1HG2      VAL  71 -11.972   5.501  -1.094
  594   2HG2  VAL  71          2HG2      VAL  71 -13.265   6.614  -1.539
  595   3HG2  VAL  71          3HG2      VAL  71 -13.589   4.874  -1.457
  596    H    ASP  72           H        ASP  72  -9.688   4.617  -4.956
  597    HA   ASP  72           HA       ASP  72 -10.723   4.344  -7.562
  598   1HB   ASP  72          1HB       ASP  72  -8.649   5.538  -6.849
  599   2HB   ASP  72          2HB       ASP  72  -7.847   3.994  -6.623
  600    H    ILE  73           H        ILE  73  -8.799   1.954  -5.672
  601    HA   ILE  73           HA       ILE  73  -9.387  -0.061  -7.767
  602    HB   ILE  73           HB       ILE  73  -7.945  -1.556  -6.221
  603   1HG1  ILE  73          1HG1      ILE  73  -6.770   1.116  -5.428
  604   2HG1  ILE  73          2HG1      ILE  73  -7.871   0.212  -4.360
  605   1HG2  ILE  73          3HG2      ILE  73  -6.937   0.671  -7.963
  606   2HG2  ILE  73          1HG2      ILE  73  -5.999  -0.792  -7.504
  607   3HG2  ILE  73          2HG2      ILE  73  -7.473  -0.952  -8.446
  608   1HD1  ILE  73          1HD1      ILE  73  -6.344  -1.760  -4.573
  609   2HD1  ILE  73          2HD1      ILE  73  -5.208  -0.722  -5.469
  610   3HD1  ILE  73          3HD1      ILE  73  -5.616  -0.333  -3.780
  611    H    LYS  74           H        LYS  74 -10.933   0.997  -5.249
  612    HA   LYS  74           HA       LYS  74 -13.002   0.596  -4.505
  613   1HB   LYS  74          1HB       LYS  74 -13.322  -0.438  -6.825
  614   2HB   LYS  74          2HB       LYS  74 -13.036  -2.012  -6.071
  615   1HG   LYS  74          1HG       LYS  74 -14.922  -1.036  -4.382
  616   2HG   LYS  74          2HG       LYS  74 -15.310  -0.156  -5.882
  617   1HD   LYS  74          1HD       LYS  74 -15.621  -2.320  -7.048
  618   2HD   LYS  74          2HD       LYS  74 -15.171  -3.107  -5.516
  619   1HE   LYS  74          1HE       LYS  74 -17.599  -3.148  -5.633
  620   2HE   LYS  74          2HE       LYS  74 -17.078  -2.023  -4.371
  621   1HZ   LYS  74          1HZ       LYS  74 -17.371  -0.245  -6.079
  622   2HZ   LYS  74          2HZ       LYS  74 -18.253  -1.327  -6.978
  623   3HZ   LYS  74          3HZ       LYS  74 -18.686  -0.859  -5.440
  624    H    ILE  75           H        ILE  75 -12.136   0.503  -2.464
  625    HA   ILE  75           HA       ILE  75 -11.956  -2.224  -1.184
  626    HB   ILE  75           HB       ILE  75 -10.302   0.268  -0.556
  627   1HG1  ILE  75          1HG1      ILE  75  -9.612  -0.421  -2.863
  628   2HG1  ILE  75          2HG1      ILE  75  -8.359  -0.471  -1.648
  629   1HG2  ILE  75          3HG2      ILE  75 -10.156  -2.648   0.236
  630   2HG2  ILE  75          1HG2      ILE  75  -8.740  -1.611   0.370
  631   3HG2  ILE  75          2HG2      ILE  75 -10.207  -1.198   1.273
  632   1HD1  ILE  75          3HD1      ILE  75  -9.809  -2.878  -2.648
  633   2HD1  ILE  75          1HD1      ILE  75  -8.266  -2.225  -3.279
  634   3HD1  ILE  75          2HD1      ILE  75  -8.340  -2.806  -1.601
  635    H    CYS  76           H        CYS  76 -13.267   1.114  -1.020
  636    HA   CYS  76           HA       CYS  76 -13.402   1.012   1.900
  637   1HB   CYS  76          1HB       CYS  76 -12.449   3.041   0.783
  638   2HB   CYS  76          2HB       CYS  76 -14.008   3.328   0.053
  639    H    LYS  77           H        LYS  77 -15.595   2.495  -0.371
  640    HA   LYS  77           HA       LYS  77 -17.748   0.801  -0.029
  641   1HB   LYS  77          1HB       LYS  77 -18.167   1.584   2.174
  642   2HB   LYS  77          2HB       LYS  77 -17.893   3.262   1.730
  643   1HG   LYS  77          1HG       LYS  77 -20.291   2.536   2.250
  644   2HG   LYS  77          2HG       LYS  77 -19.998   3.555   0.877
  645   1HD   LYS  77          1HD       LYS  77 -20.052   1.086  -0.393
  646   2HD   LYS  77          2HD       LYS  77 -21.074   0.775   1.001
  647   1HE   LYS  77          1HE       LYS  77 -22.512   1.545  -0.760
  648   2HE   LYS  77          2HE       LYS  77 -22.379   2.881   0.396
  649   1HZ   LYS  77          1HZ       LYS  77 -20.523   3.683  -1.200
  650   2HZ   LYS  77          2HZ       LYS  77 -21.078   2.610  -2.246
  651   3HZ   LYS  77          3HZ       LYS  77 -22.083   3.791  -1.777
  652    H    GLU  78           H        GLU  78 -16.950   1.068  -2.084
  653    HA   GLU  78           HA       GLU  78 -18.044   3.193  -3.759
  654   1HB   GLU  78          1HB       GLU  78 -16.803   0.484  -4.361
  655   2HB   GLU  78          2HB       GLU  78 -17.032   1.794  -5.524
  656   1HG   GLU  78          1HG       GLU  78 -14.728   1.675  -4.932
  657   2HG   GLU  78          2HG       GLU  78 -15.389   3.127  -4.220
   
  No H/Q in entry =         657
  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1 -16.643  -0.384   4.693
    2   2H    GLY   1          3H        GLY   1 -15.704  -1.095   3.562
    3   3H    GLY   1          1H        GLY   1 -17.307  -1.439   3.610
    4   1HA   GLY   1          1HA       GLY   1 -17.109  -2.535   5.735
    5   2HA   GLY   1          2HA       GLY   1 -15.999  -3.253   4.550
    6    H    TYR   2           H        TYR   2 -15.269  -3.732   7.154
    7    HA   TYR   2           HA       TYR   2 -13.487  -2.029   8.453
    8   1HB   TYR   2          1HB       TYR   2 -14.068  -4.171   9.358
    9   2HB   TYR   2          2HB       TYR   2 -13.483  -5.018   7.934
   10    HD1  TYR   2           HD1      TYR   2 -12.118  -2.644  10.568
   11    HD2  TYR   2           HD2      TYR   2 -11.461  -6.177   8.159
   12    HE1  TYR   2           HE1      TYR   2  -9.958  -3.002  11.681
   13    HE2  TYR   2           HE2      TYR   2  -9.295  -6.536   9.291
   14    HH   TYR   2           HH       TYR   2  -8.134  -4.422  11.921
   15    H    PHE   3           H        PHE   3 -13.065  -3.842   5.469
   16    HA   PHE   3           HA       PHE   3 -10.447  -3.576   4.811
   17   1HB   PHE   3          1HB       PHE   3 -12.983  -3.334   3.181
   18   2HB   PHE   3          2HB       PHE   3 -11.425  -3.157   2.443
   19    HD1  PHE   3           HD1      PHE   3  -9.663  -4.939   2.716
   20    HD2  PHE   3           HD2      PHE   3 -13.889  -5.589   3.324
   21    HE1  PHE   3           HE1      PHE   3  -9.358  -7.347   2.229
   22    HE2  PHE   3           HE2      PHE   3 -13.577  -7.996   2.829
   23    HZ   PHE   3           HZ       PHE   3 -11.331  -8.870   2.268
   24    H    CYS   4           H        CYS   4 -12.807  -0.838   4.783
   25    HA   CYS   4           HA       CYS   4 -11.201   0.861   3.165
   26   1HB   CYS   4          1HB       CYS   4 -13.654   1.268   3.768
   27   2HB   CYS   4          2HB       CYS   4 -13.119   1.766   5.362
   28    H    GLU   5           H        GLU   5 -11.513   0.714   6.774
   29    HA   GLU   5           HA       GLU   5  -9.503   2.678   7.258
   30   1HB   GLU   5          1HB       GLU   5 -11.335   1.762   8.837
   31   2HB   GLU   5          2HB       GLU   5 -10.241   0.420   9.164
   32   1HG   GLU   5          1HG       GLU   5  -9.699   3.397   9.592
   33   2HG   GLU   5          2HG       GLU   5 -10.070   2.225  10.852
   34    H    SER   6           H        SER   6  -9.449  -0.895   7.235
   35    HA   SER   6           HA       SER   6  -6.781  -1.385   7.808
   36   1HB   SER   6          1HB       SER   6  -8.444  -2.811   5.683
   37   2HB   SER   6          2HB       SER   6  -7.018  -3.445   6.506
   38    HG   SER   6           HG       SER   6  -9.515  -2.776   7.733
   39    H    CYS   7           H        CYS   7  -8.161  -0.779   4.541
   40    HA   CYS   7           HA       CYS   7  -5.738  -0.841   3.073
   41   1HB   CYS   7          1HB       CYS   7  -7.927  -1.092   2.096
   42   2HB   CYS   7          2HB       CYS   7  -8.416   0.518   2.594
   43    H    ARG   8           H        ARG   8  -7.567   1.905   4.532
   44    HA   ARG   8           HA       ARG   8  -5.901   3.960   3.575
   45   1HB   ARG   8          1HB       ARG   8  -8.183   4.139   4.771
   46   2HB   ARG   8          2HB       ARG   8  -7.297   3.956   6.293
   47   1HG   ARG   8          1HG       ARG   8  -5.872   5.964   5.514
   48   2HG   ARG   8          2HG       ARG   8  -7.070   6.167   4.220
   49   1HD   ARG   8          1HD       ARG   8  -8.861   6.281   6.002
   50   2HD   ARG   8          2HD       ARG   8  -7.589   6.295   7.230
   51    HE   ARG   8           HE       ARG   8  -8.508   8.405   5.508
   52   1HH1  ARG   8          2HH2      ARG   8  -5.639   7.311   7.302
   53   2HH1  ARG   8          1HH2      ARG   8  -4.718   8.753   7.074
   54   1HH2  ARG   8          2HH1      ARG   8  -7.472  10.532   5.643
   55   2HH2  ARG   8          1HH1      ARG   8  -5.892  10.683   6.332
   56    H    LYS   9           H        LYS   9  -5.728   2.157   6.679
   57    HA   LYS   9           HA       LYS   9  -3.351   3.364   7.654
   58   1HB   LYS   9          1HB       LYS   9  -5.002   2.089   8.974
   59   2HB   LYS   9          2HB       LYS   9  -4.549   0.596   8.152
   60   1HG   LYS   9          1HG       LYS   9  -2.293   0.720   9.070
   61   2HG   LYS   9          2HG       LYS   9  -2.631   2.280   9.829
   62   1HD   LYS   9          1HD       LYS   9  -4.296  -0.185  10.508
   63   2HD   LYS   9          2HD       LYS   9  -2.707   0.071  11.217
   64   1HE   LYS   9          1HE       LYS   9  -4.135   0.933  12.822
   65   2HE   LYS   9          2HE       LYS   9  -3.494   2.363  12.006
   66   1HZ   LYS   9          2HZ       LYS   9  -6.183   1.185  11.431
   67   2HZ   LYS   9          3HZ       LYS   9  -5.914   2.462  12.416
   68   3HZ   LYS   9          1HZ       LYS   9  -5.656   2.526  10.815
   69    H    ILE  10           H        ILE  10  -3.821   0.396   5.692
   70    HA   ILE  10           HA       ILE  10  -1.122  -0.423   5.649
   71    HB   ILE  10           HB       ILE  10  -3.486  -0.981   3.857
   72   1HG1  ILE  10          1HG1      ILE  10  -1.886  -2.856   5.666
   73   2HG1  ILE  10          2HG1      ILE  10  -3.172  -1.860   6.310
   74   1HG2  ILE  10          2HG2      ILE  10  -0.697  -2.179   3.621
   75   2HG2  ILE  10          3HG2      ILE  10  -2.145  -2.853   2.843
   76   3HG2  ILE  10          1HG2      ILE  10  -1.563  -1.261   2.373
   77   1HD1  ILE  10          2HD1      ILE  10  -4.792  -2.899   4.709
   78   2HD1  ILE  10          3HD1      ILE  10  -3.508  -3.980   4.161
   79   3HD1  ILE  10          1HD1      ILE  10  -4.062  -4.056   5.830
   80    H    ILE  11           H        ILE  11  -2.898   1.618   3.225
   81    HA   ILE  11           HA       ILE  11  -0.528   2.129   1.686
   82    HB   ILE  11           HB       ILE  11  -3.156   3.631   1.956
   83   1HG1  ILE  11          1HG1      ILE  11  -3.493   1.533   0.793
   84   2HG1  ILE  11          2HG1      ILE  11  -3.599   2.857  -0.354
   85   1HG2  ILE  11          1HG2      ILE  11  -0.878   4.245   0.029
   86   2HG2  ILE  11          2HG2      ILE  11  -2.518   4.915  -0.049
   87   3HG2  ILE  11          3HG2      ILE  11  -1.481   5.296   1.312
   88   1HD1  ILE  11          3HD1      ILE  11  -1.195   1.015  -0.055
   89   2HD1  ILE  11          1HD1      ILE  11  -2.469   0.901  -1.275
   90   3HD1  ILE  11          2HD1      ILE  11  -1.413   2.313  -1.262
   91    H    GLN  12           H        GLN  12  -2.068   4.032   4.378
   92    HA   GLN  12           HA       GLN  12  -0.315   6.199   4.215
   93   1HB   GLN  12          1HB       GLN  12  -1.753   4.969   6.590
   94   2HB   GLN  12          2HB       GLN  12  -0.782   6.429   6.756
   95   1HG   GLN  12          1HG       GLN  12  -2.802   6.418   4.547
   96   2HG   GLN  12          2HG       GLN  12  -3.414   6.450   6.193
   97   1HE2  GLN  12          2HE2      GLN  12  -1.202   9.748   5.020
   98   2HE2  GLN  12          1HE2      GLN  12  -0.920   8.310   4.101
   99    H    LYS  13           H        LYS  13   0.204   3.175   6.203
  100    HA   LYS  13           HA       LYS  13   2.686   4.321   7.071
  101   1HB   LYS  13          1HB       LYS  13   1.414   2.602   8.387
  102   2HB   LYS  13          2HB       LYS  13   2.023   1.375   7.272
  103   1HG   LYS  13          1HG       LYS  13   3.287   1.650   9.470
  104   2HG   LYS  13          2HG       LYS  13   4.281   1.691   8.016
  105   1HD   LYS  13          1HD       LYS  13   4.548   4.062   8.130
  106   2HD   LYS  13          2HD       LYS  13   3.307   4.236   9.380
  107   1HE   LYS  13          1HE       LYS  13   4.771   3.171  11.011
  108   2HE   LYS  13          2HE       LYS  13   5.969   2.809   9.743
  109   1HZ   LYS  13          1HZ       LYS  13   5.167   5.612  10.239
  110   2HZ   LYS  13          2HZ       LYS  13   6.439   4.926  11.079
  111   3HZ   LYS  13          3HZ       LYS  13   6.373   5.113   9.438
  112    H    LEU  14           H        LEU  14   1.817   2.576   4.175
  113    HA   LEU  14           HA       LEU  14   4.493   1.679   3.489
  114   1HB   LEU  14          1HB       LEU  14   2.124   0.975   2.533
  115   2HB   LEU  14          2HB       LEU  14   2.281   2.407   1.544
  116    HG   LEU  14           HG       LEU  14   3.999  -0.073   1.552
  117   1HD1  LEU  14          1HD1      LEU  14   2.021   1.222  -0.338
  118   2HD1  LEU  14          2HD1      LEU  14   3.136   0.010  -0.905
  119   3HD1  LEU  14          3HD1      LEU  14   1.977  -0.397   0.383
  120   1HD2  LEU  14          3HD2      LEU  14   4.620   2.462   0.025
  121   2HD2  LEU  14          1HD2      LEU  14   5.651   1.591   1.177
  122   3HD2  LEU  14          2HD2      LEU  14   5.272   0.855  -0.373
  123    H    GLU  15           H        GLU  15   2.409   4.421   2.655
  124    HA   GLU  15           HA       GLU  15   4.090   5.923   0.996
  125   1HB   GLU  15          1HB       GLU  15   1.618   6.022   1.243
  126   2HB   GLU  15          2HB       GLU  15   1.770   6.523   2.912
  127   1HG   GLU  15          1HG       GLU  15   2.605   8.723   2.195
  128   2HG   GLU  15          2HG       GLU  15   2.463   8.209   0.504
  129    H    ASP  16           H        ASP  16   3.489   6.246   4.493
  130    HA   ASP  16           HA       ASP  16   5.433   8.177   5.181
  131   1HB   ASP  16          1HB       ASP  16   3.755   7.507   6.754
  132   2HB   ASP  16          2HB       ASP  16   4.089   5.806   6.501
  133    H    MET  17           H        MET  17   5.794   4.610   5.002
  134    HA   MET  17           HA       MET  17   8.499   4.710   5.926
  135   1HB   MET  17          1HB       MET  17   6.813   2.575   4.571
  136   2HB   MET  17          2HB       MET  17   8.537   2.327   4.881
  137   1HG   MET  17          1HG       MET  17   8.266   2.673   7.241
  138   2HG   MET  17          2HG       MET  17   6.578   3.098   7.057
  139   1HE   MET  17          3HE       MET  17   8.450   0.068   5.213
  140   2HE   MET  17          1HE       MET  17   7.251  -1.201   5.535
  141   3HE   MET  17          2HE       MET  17   6.790   0.227   4.595
  142    H    VAL  18           H        VAL  18   7.165   4.361   2.552
  143    HA   VAL  18           HA       VAL  18   9.845   3.963   1.518
  144    HB   VAL  18           HB       VAL  18   7.611   3.152   0.545
  145   1HG1  VAL  18          2HG1      VAL  18   6.466   5.337   0.412
  146   2HG1  VAL  18          3HG1      VAL  18   7.628   5.830  -0.835
  147   3HG1  VAL  18          1HG1      VAL  18   6.552   4.465  -1.137
  148   1HG2  VAL  18          2HG2      VAL  18   9.876   4.212  -1.122
  149   2HG2  VAL  18          3HG2      VAL  18   9.609   2.589  -0.468
  150   3HG2  VAL  18          1HG2      VAL  18   8.564   3.181  -1.762
  151    H    GLY  19           H        GLY  19   7.723   6.724   2.170
  152   1HA   GLY  19          1HA       GLY  19   8.276   8.886   2.482
  153   2HA   GLY  19          2HA       GLY  19   9.938   8.576   1.940
  154    HA   PRO  20           HA       PRO  20   7.566  10.735  -1.454
  155   1HB   PRO  20          1HB       PRO  20   9.217  12.831  -1.958
  156   2HB   PRO  20          2HB       PRO  20   8.141  12.821  -0.526
  157   1HG   PRO  20          1HG       PRO  20  11.077  12.048  -0.655
  158   2HG   PRO  20          2HG       PRO  20  10.279  13.162   0.503
  159   1HD   PRO  20          1HD       PRO  20  10.749  10.501   1.022
  160   2HD   PRO  20          2HD       PRO  20   9.313  11.380   1.687
  161    H    GLN  21           H        GLN  21   8.228  11.186  -3.537
  162    HA   GLN  21           HA       GLN  21   8.656  10.063  -5.547
  163   1HB   GLN  21          1HB       GLN  21  11.364  11.282  -4.903
  164   2HB   GLN  21          2HB       GLN  21  10.644  11.024  -6.494
  165   1HG   GLN  21          1HG       GLN  21   9.888  13.059  -4.383
  166   2HG   GLN  21          2HG       GLN  21  10.398  13.341  -6.040
  167   1HE2  GLN  21          2HE2      GLN  21   7.093  12.727  -7.381
  168   2HE2  GLN  21          1HE2      GLN  21   8.799  12.740  -7.810
  169    HA   PRO  22           HA       PRO  22  11.035   6.345  -4.067
  170   1HB   PRO  22          1HB       PRO  22   9.161   4.483  -3.775
  171   2HB   PRO  22          2HB       PRO  22   9.330   5.810  -2.585
  172   1HG   PRO  22          1HG       PRO  22   7.413   5.715  -4.937
  173   2HG   PRO  22          2HG       PRO  22   7.019   5.968  -3.202
  174   1HD   PRO  22          1HD       PRO  22   7.440   8.076  -4.912
  175   2HD   PRO  22          2HD       PRO  22   7.936   8.122  -3.191
  176    H    ASN  23           H        ASN  23  10.788   3.983  -5.278
  177    HA   ASN  23           HA       ASN  23   9.999   4.318  -8.108
  178   1HB   ASN  23          1HB       ASN  23  12.062   3.347  -8.887
  179   2HB   ASN  23          2HB       ASN  23  12.456   4.752  -7.897
  180   1HD2  ASN  23          2HD2      ASN  23  14.074   1.253  -6.828
  181   2HD2  ASN  23          1HD2      ASN  23  13.407   1.516  -8.426
  182    H    GLU  24           H        GLU  24   9.627   2.340  -9.128
  183    HA   GLU  24           HA       GLU  24   7.807   0.702  -8.143
  184   1HB   GLU  24          1HB       GLU  24   8.568   1.022 -10.486
  185   2HB   GLU  24          2HB       GLU  24   9.993   0.074 -10.147
  186   1HG   GLU  24          1HG       GLU  24   8.703  -1.459 -11.260
  187   2HG   GLU  24          2HG       GLU  24   8.297  -1.882  -9.605
  188    H    ASP  25           H        ASP  25  11.325  -0.171  -7.835
  189    HA   ASP  25           HA       ASP  25  10.648  -2.788  -6.730
  190   1HB   ASP  25          1HB       ASP  25  12.818  -2.551  -7.791
  191   2HB   ASP  25          2HB       ASP  25  13.281  -1.275  -6.645
  192    H    THR  26           H        THR  26  12.071   0.221  -5.298
  193    HA   THR  26           HA       THR  26  12.035  -0.557  -2.696
  194    HB   THR  26           HB       THR  26  11.485   2.277  -3.686
  195    HG1  THR  26           HG1      THR  26  13.422   2.238  -4.490
  196   1HG2  THR  26          1HG2      THR  26  11.556   1.919  -1.177
  197   2HG2  THR  26          2HG2      THR  26  13.178   1.239  -1.353
  198   3HG2  THR  26          3HG2      THR  26  12.875   2.940  -1.772
  199    H    VAL  27           H        VAL  27   9.328   0.816  -4.568
  200    HA   VAL  27           HA       VAL  27   7.501   0.998  -2.337
  201    HB   VAL  27           HB       VAL  27   6.904   0.632  -5.311
  202   1HG1  VAL  27          2HG1      VAL  27   5.131   1.425  -2.951
  203   2HG1  VAL  27          3HG1      VAL  27   4.697   1.676  -4.653
  204   3HG1  VAL  27          1HG1      VAL  27   4.922   0.033  -4.038
  205   1HG2  VAL  27          1HG2      VAL  27   7.012   3.139  -3.574
  206   2HG2  VAL  27          2HG2      VAL  27   8.139   2.728  -4.861
  207   3HG2  VAL  27          3HG2      VAL  27   6.469   3.076  -5.270
  208    H    THR  28           H        THR  28   8.161  -1.641  -4.729
  209    HA   THR  28           HA       THR  28   6.184  -3.428  -3.771
  210    HB   THR  28           HB       THR  28   8.790  -3.893  -5.288
  211    HG1  THR  28           HG1      THR  28   7.528  -2.704  -6.539
  212   1HG2  THR  28          1HG2      THR  28   6.385  -5.719  -4.901
  213   2HG2  THR  28          2HG2      THR  28   7.696  -5.965  -6.084
  214   3HG2  THR  28          3HG2      THR  28   8.054  -6.022  -4.355
  215    H    GLN  29           H        GLN  29   9.709  -3.173  -2.897
  216    HA   GLN  29           HA       GLN  29   9.481  -5.314  -0.967
  217   1HB   GLN  29          1HB       GLN  29  11.652  -4.526  -0.095
  218   2HB   GLN  29          2HB       GLN  29  11.629  -4.997  -1.792
  219   1HG   GLN  29          1HG       GLN  29  11.877  -2.807  -2.558
  220   2HG   GLN  29          2HG       GLN  29  11.466  -2.093  -0.986
  221   1HE2  GLN  29          2HE2      GLN  29  15.319  -2.850  -1.791
  222   2HE2  GLN  29          1HE2      GLN  29  14.082  -2.906  -3.034
  223    H    ALA  30           H        ALA  30   9.388  -1.703  -0.626
  224    HA   ALA  30           HA       ALA  30   9.117  -1.694   2.170
  225   1HB   ALA  30          1HB       ALA  30   9.615   0.349   0.896
  226   2HB   ALA  30          2HB       ALA  30   7.984   0.313   0.178
  227   3HB   ALA  30          3HB       ALA  30   8.187   0.574   1.920
  228    H    ALA  31           H        ALA  31   6.639  -2.208  -0.338
  229    HA   ALA  31           HA       ALA  31   4.406  -2.151   1.532
  230   1HB   ALA  31          1HB       ALA  31   4.332  -1.704  -1.015
  231   2HB   ALA  31          2HB       ALA  31   4.580  -3.420  -1.276
  232   3HB   ALA  31          3HB       ALA  31   3.117  -2.862  -0.436
  233    H    SER  32           H        SER  32   6.220  -4.855  -0.138
  234    HA   SER  32           HA       SER  32   4.585  -6.879   1.151
  235   1HB   SER  32          1HB       SER  32   6.551  -8.401   0.630
  236   2HB   SER  32          2HB       SER  32   5.840  -7.565  -0.763
  237    HG   SER  32           HG       SER  32   7.550  -6.152  -0.803
  238    H    GLN  33           H        GLN  33   7.374  -5.070   2.302
  239    HA   GLN  33           HA       GLN  33   7.044  -6.397   4.885
  240   1HB   GLN  33          1HB       GLN  33   9.140  -4.474   3.898
  241   2HB   GLN  33          2HB       GLN  33   9.039  -5.078   5.560
  242   1HG   GLN  33          1HG       GLN  33   9.318  -6.831   3.062
  243   2HG   GLN  33          2HG       GLN  33  10.602  -6.450   4.197
  244   1HE2  GLN  33          2HE2      GLN  33   9.298  -8.525   6.899
  245   2HE2  GLN  33          1HE2      GLN  33  10.393  -7.256   6.457
  246    H    VAL  34           H        VAL  34   5.728  -3.456   3.448
  247    HA   VAL  34           HA       VAL  34   5.170  -2.094   5.845
  248    HB   VAL  34           HB       VAL  34   4.476  -1.334   3.474
  249   1HG1  VAL  34          2HG1      VAL  34   2.628  -3.136   3.000
  250   2HG1  VAL  34          3HG1      VAL  34   1.707  -2.258   4.183
  251   3HG1  VAL  34          1HG1      VAL  34   2.266  -1.446   2.721
  252   1HG2  VAL  34          1HG2      VAL  34   2.929  -0.844   5.962
  253   2HG2  VAL  34          2HG2      VAL  34   4.308   0.065   5.248
  254   3HG2  VAL  34          3HG2      VAL  34   2.715   0.072   4.464
  255    H    CYS  35           H        CYS  35   3.665  -4.818   4.176
  256    HA   CYS  35           HA       CYS  35   1.468  -5.267   5.940
  257   1HB   CYS  35          1HB       CYS  35   3.100  -7.319   4.350
  258   2HB   CYS  35          2HB       CYS  35   1.475  -7.548   4.982
  259    H    ASP  36           H        ASP  36   4.767  -6.685   5.733
  260    HA   ASP  36           HA       ASP  36   4.555  -8.430   7.966
  261   1HB   ASP  36          1HB       ASP  36   6.426  -8.152   6.213
  262   2HB   ASP  36          2HB       ASP  36   7.091  -6.942   7.296
  263    H    LYS  37           H        LYS  37   5.582  -5.057   7.913
  264    HA   LYS  37           HA       LYS  37   6.201  -4.938  10.695
  265   1HB   LYS  37          1HB       LYS  37   7.025  -3.522   8.691
  266   2HB   LYS  37          2HB       LYS  37   5.544  -2.572   8.868
  267   1HG   LYS  37          1HG       LYS  37   6.215  -2.017  11.194
  268   2HG   LYS  37          2HG       LYS  37   7.670  -3.015  11.019
  269   1HD   LYS  37          1HD       LYS  37   7.016  -0.498   9.448
  270   2HD   LYS  37          2HD       LYS  37   8.159  -0.612  10.788
  271   1HE   LYS  37          1HE       LYS  37   9.584  -2.167   9.493
  272   2HE   LYS  37          2HE       LYS  37   8.442  -2.112   8.143
  273   1HZ   LYS  37          3HZ       LYS  37   9.990   0.207   9.132
  274   2HZ   LYS  37          1HZ       LYS  37  10.299  -0.645   7.768
  275   3HZ   LYS  37          2HZ       LYS  37   8.916   0.225   7.880
  276    H    LEU  38           H        LEU  38   3.289  -4.111   8.793
  277    HA   LEU  38           HA       LEU  38   1.760  -3.256  11.173
  278   1HB   LEU  38          1HB       LEU  38   0.969  -3.889   8.291
  279   2HB   LEU  38          2HB       LEU  38  -0.169  -3.375   9.529
  280    HG   LEU  38           HG       LEU  38   2.189  -1.660   8.628
  281   1HD1  LEU  38          3HD1      LEU  38  -0.735  -1.581   7.759
  282   2HD1  LEU  38          1HD1      LEU  38   0.521  -0.406   7.309
  283   3HD1  LEU  38          2HD1      LEU  38   0.649  -2.076   6.753
  284   1HD2  LEU  38          3HD2      LEU  38  -0.330  -0.990  10.219
  285   2HD2  LEU  38          1HD2      LEU  38   1.333  -1.040  10.852
  286   3HD2  LEU  38          2HD2      LEU  38   0.884   0.178   9.655
  287    H    LYS  39           H        LYS  39   2.500  -5.249  12.325
  288    HA   LYS  39           HA       LYS  39   1.767  -7.775  11.200
  289   1HB   LYS  39          1HB       LYS  39   2.465  -8.773  13.327
  290   2HB   LYS  39          2HB       LYS  39   3.630  -7.611  12.705
  291   1HG   LYS  39          1HG       LYS  39   2.792  -5.913  14.353
  292   2HG   LYS  39          2HG       LYS  39   1.684  -7.136  15.010
  293   1HD   LYS  39          1HD       LYS  39   3.620  -8.584  15.574
  294   2HD   LYS  39          2HD       LYS  39   4.727  -7.381  14.879
  295   1HE   LYS  39          1HE       LYS  39   3.941  -5.709  16.554
  296   2HE   LYS  39          2HE       LYS  39   2.875  -6.929  17.266
  297   1HZ   LYS  39          2HZ       LYS  39   5.831  -7.094  17.157
  298   2HZ   LYS  39          3HZ       LYS  39   4.941  -6.736  18.487
  299   3HZ   LYS  39          1HZ       LYS  39   4.844  -8.231  17.821
  300    H    ILE  40           H        ILE  40   0.286  -9.331  12.178
  301    HA   ILE  40           HA       ILE  40  -1.762 -10.090  12.745
  302    HB   ILE  40           HB       ILE  40  -2.456  -7.355  13.916
  303   1HG1  ILE  40          1HG1      ILE  40  -1.679  -9.962  15.316
  304   2HG1  ILE  40          2HG1      ILE  40  -0.580  -8.601  15.088
  305   1HG2  ILE  40          1HG2      ILE  40  -4.442  -8.603  13.149
  306   2HG2  ILE  40          2HG2      ILE  40  -3.930 -10.011  14.102
  307   3HG2  ILE  40          3HG2      ILE  40  -4.385  -8.488  14.896
  308   1HD1  ILE  40          3HD1      ILE  40  -2.120  -7.140  16.402
  309   2HD1  ILE  40          1HD1      ILE  40  -3.110  -8.576  16.767
  310   3HD1  ILE  40          2HD1      ILE  40  -1.433  -8.495  17.320
  311    H    LEU  41           H        LEU  41  -1.768  -6.721  11.439
  312    HA   LEU  41           HA       LEU  41  -3.860  -7.348   9.512
  313   1HB   LEU  41          1HB       LEU  41  -3.293  -5.122  10.758
  314   2HB   LEU  41          2HB       LEU  41  -1.988  -4.954   9.590
  315    HG   LEU  41           HG       LEU  41  -3.726  -5.000   7.755
  316   1HD1  LEU  41          2HD1      LEU  41  -5.678  -4.829  10.096
  317   2HD1  LEU  41          3HD1      LEU  41  -6.098  -4.552   8.402
  318   3HD1  LEU  41          1HD1      LEU  41  -5.582  -6.154   8.928
  319   1HD2  LEU  41          2HD2      LEU  41  -2.811  -2.883   8.631
  320   2HD2  LEU  41          3HD2      LEU  41  -4.514  -2.695   8.180
  321   3HD2  LEU  41          1HD2      LEU  41  -4.064  -2.852   9.890
  322    H    ARG  42           H        ARG  42  -0.754  -8.276   9.626
  323    HA   ARG  42           HA       ARG  42   0.408  -8.009   7.118
  324   1HB   ARG  42          1HB       ARG  42   1.581  -8.972   8.992
  325   2HB   ARG  42          2HB       ARG  42   0.403 -10.258   9.169
  326   1HG   ARG  42          1HG       ARG  42   2.517 -11.097   8.387
  327   2HG   ARG  42          2HG       ARG  42   1.253 -11.422   7.207
  328   1HD   ARG  42          1HD       ARG  42   2.200 -10.074   5.609
  329   2HD   ARG  42          2HD       ARG  42   2.787  -8.925   6.793
  330    HE   ARG  42           HE       ARG  42   4.539 -10.776   7.360
  331   1HH1  ARG  42          2HH2      ARG  42   3.658  -9.325   4.300
  332   2HH1  ARG  42          1HH2      ARG  42   5.287  -9.234   3.794
  333   1HH2  ARG  42          2HH1      ARG  42   6.566 -10.808   6.584
  334   2HH2  ARG  42          1HH1      ARG  42   6.995 -10.262   5.022
  335    H    GLY  43           H        GLY  43  -2.171 -10.238   8.170
  336   1HA   GLY  43          1HA       GLY  43  -2.389 -11.803   5.790
  337   2HA   GLY  43          2HA       GLY  43  -3.658 -11.530   6.992
  338    H    LEU  44           H        LEU  44  -4.211  -8.859   6.859
  339    HA   LEU  44           HA       LEU  44  -5.944  -8.790   4.622
  340   1HB   LEU  44          1HB       LEU  44  -6.104  -7.687   6.978
  341   2HB   LEU  44          2HB       LEU  44  -5.105  -6.407   6.325
  342    HG   LEU  44           HG       LEU  44  -7.415  -5.777   6.353
  343   1HD1  LEU  44          3HD1      LEU  44  -6.035  -5.002   4.393
  344   2HD1  LEU  44          1HD1      LEU  44  -6.817  -6.265   3.418
  345   3HD1  LEU  44          2HD1      LEU  44  -7.783  -4.975   4.154
  346   1HD2  LEU  44          3HD2      LEU  44  -8.423  -8.033   6.264
  347   2HD2  LEU  44          1HD2      LEU  44  -9.192  -6.891   5.161
  348   3HD2  LEU  44          2HD2      LEU  44  -8.077  -8.116   4.522
  349    H    CYS  45           H        CYS  45  -2.983  -6.874   5.401
  350    HA   CYS  45           HA       CYS  45  -2.682  -5.563   2.975
  351   1HB   CYS  45          1HB       CYS  45  -1.529  -5.138   5.105
  352   2HB   CYS  45          2HB       CYS  45  -0.611  -6.622   4.925
  353    H    LYS  46           H        LYS  46  -1.350  -8.870   3.805
  354    HA   LYS  46           HA       LYS  46  -0.163  -9.221   1.244
  355   1HB   LYS  46          1HB       LYS  46  -1.069 -11.221   3.317
  356   2HB   LYS  46          2HB       LYS  46  -0.520 -11.746   1.716
  357   1HG   LYS  46          1HG       LYS  46   1.597 -10.470   1.986
  358   2HG   LYS  46          2HG       LYS  46   1.077  -9.948   3.579
  359   1HD   LYS  46          1HD       LYS  46   2.596 -11.658   3.952
  360   2HD   LYS  46          2HD       LYS  46   1.025 -12.413   4.260
  361   1HE   LYS  46          1HE       LYS  46   1.121 -13.555   2.093
  362   2HE   LYS  46          2HE       LYS  46   2.535 -12.608   1.608
  363   1HZ   LYS  46          2HZ       LYS  46   3.819 -13.716   3.325
  364   2HZ   LYS  46          3HZ       LYS  46   2.519 -14.609   3.794
  365   3HZ   LYS  46          1HZ       LYS  46   3.173 -14.816   2.306
  366    H    LYS  47           H        LYS  47  -3.591  -9.766   2.209
  367    HA   LYS  47           HA       LYS  47  -4.408 -10.902  -0.309
  368   1HB   LYS  47          1HB       LYS  47  -5.950 -11.064   1.414
  369   2HB   LYS  47          2HB       LYS  47  -5.974  -9.325   1.692
  370   1HG   LYS  47          1HG       LYS  47  -7.920 -10.107   0.519
  371   2HG   LYS  47          2HG       LYS  47  -7.063  -8.888  -0.405
  372   1HD   LYS  47          1HD       LYS  47  -6.116 -11.019  -1.696
  373   2HD   LYS  47          2HD       LYS  47  -7.497 -11.840  -0.984
  374   1HE   LYS  47          1HE       LYS  47  -7.620  -9.265  -2.646
  375   2HE   LYS  47          2HE       LYS  47  -7.804 -10.872  -3.332
  376   1HZ   LYS  47          1HZ       LYS  47  -9.622  -9.650  -1.351
  377   2HZ   LYS  47          2HZ       LYS  47  -9.895  -9.814  -2.958
  378   3HZ   LYS  47          3HZ       LYS  47  -9.801 -11.154  -2.017
  379    H    ILE  48           H        ILE  48  -4.258  -7.424   0.720
  380    HA   ILE  48           HA       ILE  48  -5.174  -6.411  -1.770
  381    HB   ILE  48           HB       ILE  48  -3.320  -5.082   0.255
  382   1HG1  ILE  48          1HG1      ILE  48  -6.359  -4.963  -0.086
  383   2HG1  ILE  48          2HG1      ILE  48  -5.509  -5.785   1.213
  384   1HG2  ILE  48          3HG2      ILE  48  -3.259  -3.987  -1.994
  385   2HG2  ILE  48          1HG2      ILE  48  -5.024  -3.824  -1.953
  386   3HG2  ILE  48          2HG2      ILE  48  -3.996  -2.955  -0.790
  387   1HD1  ILE  48          3HD1      ILE  48  -4.558  -3.582   1.957
  388   2HD1  ILE  48          1HD1      ILE  48  -5.616  -2.783   0.768
  389   3HD1  ILE  48          2HD1      ILE  48  -6.324  -3.717   2.086
  390    H    MET  49           H        MET  49  -1.793  -6.888  -0.613
  391    HA   MET  49           HA       MET  49  -0.533  -6.066  -3.031
  392   1HB   MET  49          1HB       MET  49   0.530  -8.058  -0.992
  393   2HB   MET  49          2HB       MET  49   1.456  -7.160  -2.202
  394   1HG   MET  49          1HG       MET  49   0.060  -6.075   0.248
  395   2HG   MET  49          2HG       MET  49   1.773  -6.044  -0.117
  396   1HE   MET  49          1HE       MET  49   1.214  -3.510   0.956
  397   2HE   MET  49          2HE       MET  49   0.236  -2.307   0.093
  398   3HE   MET  49          3HE       MET  49  -0.550  -3.723   0.811
  399    H    ARG  50           H        ARG  50  -1.818  -9.420  -2.259
  400    HA   ARG  50           HA       ARG  50  -0.600 -10.291  -4.796
  401   1HB   ARG  50          1HB       ARG  50  -1.177 -11.890  -2.948
  402   2HB   ARG  50          2HB       ARG  50  -2.886 -11.680  -3.321
  403   1HG   ARG  50          1HG       ARG  50  -2.633 -12.552  -5.552
  404   2HG   ARG  50          2HG       ARG  50  -0.871 -12.457  -5.483
  405   1HD   ARG  50          1HD       ARG  50  -0.747 -14.327  -3.950
  406   2HD   ARG  50          2HD       ARG  50  -2.501 -14.325  -3.735
  407    HE   ARG  50           HE       ARG  50  -2.777 -15.515  -5.629
  408   1HH1  ARG  50          2HH2      ARG  50   0.524 -14.202  -5.830
  409   2HH1  ARG  50          1HH2      ARG  50   0.955 -15.127  -7.217
  410   1HH2  ARG  50          2HH1      ARG  50  -2.200 -16.739  -7.503
  411   2HH2  ARG  50          1HH1      ARG  50  -0.638 -16.590  -8.185
  412    H    SER  51           H        SER  51  -3.738  -9.218  -3.733
  413    HA   SER  51           HA       SER  51  -5.258  -9.826  -6.024
  414   1HB   SER  51          1HB       SER  51  -5.963  -9.051  -3.682
  415   2HB   SER  51          2HB       SER  51  -5.742  -7.394  -4.245
  416    HG   SER  51           HG       SER  51  -7.379  -7.792  -5.764
  417    H    PHE  52           H        PHE  52  -3.605  -6.690  -5.235
  418    HA   PHE  52           HA       PHE  52  -3.731  -5.991  -8.132
  419   1HB   PHE  52          1HB       PHE  52  -4.386  -3.966  -5.980
  420   2HB   PHE  52          2HB       PHE  52  -4.717  -3.912  -7.705
  421    HD1  PHE  52           HD2      PHE  52  -6.368  -6.087  -8.435
  422    HD2  PHE  52           HD1      PHE  52  -6.293  -3.911  -4.702
  423    HE1  PHE  52           HE2      PHE  52  -8.737  -6.676  -8.035
  424    HE2  PHE  52           HE1      PHE  52  -8.685  -4.462  -4.347
  425    HZ   PHE  52           HZ       PHE  52  -9.904  -5.845  -5.995
  426    H    LEU  53           H        LEU  53  -1.427  -7.000  -7.240
  427    HA   LEU  53           HA       LEU  53   0.219  -5.492  -5.635
  428   1HB   LEU  53          1HB       LEU  53   0.551  -7.846  -6.758
  429   2HB   LEU  53          2HB       LEU  53   1.312  -6.984  -8.055
  430    HG   LEU  53           HG       LEU  53   2.156  -6.706  -5.136
  431   1HD1  LEU  53          1HD1      LEU  53   2.396  -9.009  -5.876
  432   2HD1  LEU  53          2HD1      LEU  53   3.341  -8.479  -7.293
  433   3HD1  LEU  53          3HD1      LEU  53   3.976  -8.247  -5.647
  434   1HD2  LEU  53          3HD2      LEU  53   3.528  -5.796  -7.690
  435   2HD2  LEU  53          1HD2      LEU  53   3.024  -4.810  -6.288
  436   3HD2  LEU  53          2HD2      LEU  53   4.342  -5.941  -6.120
  437    H    ARG  54           H        ARG  54   0.438  -5.396  -9.252
  438    HA   ARG  54           HA       ARG  54   2.165  -3.161  -9.266
  439   1HB   ARG  54          1HB       ARG  54   1.593  -4.822 -11.190
  440   2HB   ARG  54          2HB       ARG  54   0.206  -3.781 -11.506
  441   1HG   ARG  54          1HG       ARG  54   1.856  -3.050 -13.015
  442   2HG   ARG  54          2HG       ARG  54   1.912  -1.840 -11.738
  443   1HD   ARG  54          1HD       ARG  54   3.852  -3.168 -10.721
  444   2HD   ARG  54          2HD       ARG  54   3.847  -4.171 -12.173
  445    HE   ARG  54           HE       ARG  54   4.940  -1.556 -11.758
  446   1HH1  ARG  54          2HH2      ARG  54   3.747  -3.651 -14.363
  447   2HH1  ARG  54          1HH2      ARG  54   4.624  -2.820 -15.607
  448   1HH2  ARG  54          2HH1      ARG  54   6.033  -0.515 -13.302
  449   2HH2  ARG  54          1HH1      ARG  54   6.011  -0.912 -14.998
  450    H    ARG  55           H        ARG  55  -1.378  -3.134  -8.657
  451    HA   ARG  55           HA       ARG  55  -1.650  -0.435  -9.518
  452   1HB   ARG  55          1HB       ARG  55  -3.293  -2.256  -7.741
  453   2HB   ARG  55          2HB       ARG  55  -3.687  -0.617  -7.935
  454   1HG   ARG  55          1HG       ARG  55  -3.625  -2.615 -10.206
  455   2HG   ARG  55          2HG       ARG  55  -5.062  -2.255  -9.277
  456   1HD   ARG  55          1HD       ARG  55  -3.692  -0.103 -10.909
  457   2HD   ARG  55          2HD       ARG  55  -4.786  -1.254 -11.646
  458    HE   ARG  55           HE       ARG  55  -5.461   1.072 -10.148
  459   1HH1  ARG  55          2HH2      ARG  55  -6.825  -2.057 -11.071
  460   2HH1  ARG  55          1HH2      ARG  55  -8.463  -1.521 -10.900
  461   1HH2  ARG  55          2HH1      ARG  55  -7.747   1.795  -9.888
  462   2HH2  ARG  55          1HH1      ARG  55  -8.946   0.681 -10.140
  463    H    ILE  56           H        ILE  56  -0.906  -2.157  -6.345
  464    HA   ILE  56           HA       ILE  56  -0.950   0.302  -4.855
  465    HB   ILE  56           HB       ILE  56   0.645  -2.212  -4.232
  466   1HG1  ILE  56          1HG1      ILE  56  -1.508  -3.070  -4.335
  467   2HG1  ILE  56          2HG1      ILE  56  -1.407  -2.585  -2.662
  468   1HG2  ILE  56          3HG2      ILE  56  -0.333   0.074  -2.464
  469   2HG2  ILE  56          1HG2      ILE  56   0.432  -1.423  -1.887
  470   3HG2  ILE  56          2HG2      ILE  56   1.351  -0.304  -2.872
  471   1HD1  ILE  56          2HD1      ILE  56  -2.621  -0.416  -3.336
  472   2HD1  ILE  56          3HD1      ILE  56  -2.921  -1.183  -4.906
  473   3HD1  ILE  56          1HD1      ILE  56  -3.563  -1.923  -3.448
  474    H    SER  57           H        SER  57   1.538  -1.094  -6.960
  475    HA   SER  57           HA       SER  57   3.589   0.686  -6.127
  476   1HB   SER  57          1HB       SER  57   3.752  -1.470  -7.525
  477   2HB   SER  57          2HB       SER  57   3.301  -0.470  -8.919
  478    HG   SER  57           HG       SER  57   5.476  -0.593  -8.756
  479    H    TRP  58           H        TRP  58   1.475   0.905  -9.098
  480    HA   TRP  58           HA       TRP  58   2.062   3.529  -9.828
  481   1HB   TRP  58          1HB       TRP  58   0.697   2.756 -11.412
  482   2HB   TRP  58          2HB       TRP  58  -0.133   1.668 -10.328
  483    HD1  TRP  58           HD1      TRP  58  -0.379   5.442 -11.309
  484    HE1  TRP  58           HE1      TRP  58  -2.801   6.151 -11.179
  485    HE3  TRP  58           HE3      TRP  58  -2.246   1.367  -9.036
  486    HZ2  TRP  58           HZ2      TRP  58  -5.427   4.820 -10.453
  487    HZ3  TRP  58           HZ3      TRP  58  -4.520   1.294  -8.210
  488    HH2  TRP  58           HH2      TRP  58  -6.083   2.931  -8.815
  489    H    ASP  59           H        ASP  59  -0.291   2.501  -7.403
  490    HA   ASP  59           HA       ASP  59  -1.475   4.971  -6.807
  491   1HB   ASP  59          1HB       ASP  59  -0.971   2.482  -5.101
  492   2HB   ASP  59          2HB       ASP  59  -1.752   3.870  -4.446
  493    HD2  ASP  59           HD2      ASP  59  -4.279   1.685  -6.120
  494    H    ILE  60           H        ILE  60   1.328   3.488  -5.071
  495    HA   ILE  60           HA       ILE  60   1.890   5.872  -3.562
  496    HB   ILE  60           HB       ILE  60   3.195   3.215  -4.020
  497   1HG1  ILE  60          1HG1      ILE  60   3.084   3.050  -1.591
  498   2HG1  ILE  60          2HG1      ILE  60   2.518   4.710  -1.449
  499   1HG2  ILE  60          3HG2      ILE  60   4.562   5.528  -2.589
  500   2HG2  ILE  60          1HG2      ILE  60   5.058   3.820  -2.553
  501   3HG2  ILE  60          2HG2      ILE  60   5.121   4.715  -4.068
  502   1HD1  ILE  60          3HD1      ILE  60   0.964   2.430  -2.723
  503   2HD1  ILE  60          1HD1      ILE  60   0.764   3.047  -1.077
  504   3HD1  ILE  60          2HD1      ILE  60   0.369   4.092  -2.450
  505    H    LEU  61           H        LEU  61   3.286   4.550  -6.617
  506    HA   LEU  61           HA       LEU  61   5.353   6.438  -6.861
  507   1HB   LEU  61          1HB       LEU  61   3.764   4.966  -8.995
  508   2HB   LEU  61          2HB       LEU  61   5.200   5.916  -9.353
  509    HG   LEU  61           HG       LEU  61   5.269   3.580  -7.404
  510   1HD1  LEU  61          2HD1      LEU  61   4.519   2.764  -9.618
  511   2HD1  LEU  61          3HD1      LEU  61   5.900   3.570 -10.391
  512   3HD1  LEU  61          1HD1      LEU  61   6.157   2.224  -9.261
  513   1HD2  LEU  61          2HD2      LEU  61   7.179   5.195  -7.284
  514   2HD2  LEU  61          3HD2      LEU  61   7.629   3.571  -7.791
  515   3HD2  LEU  61          1HD2      LEU  61   7.516   4.876  -8.995
  516    H    THR  62           H        THR  62   1.941   6.784  -7.786
  517    HA   THR  62           HA       THR  62   2.431   9.442  -8.980
  518    HB   THR  62           HB       THR  62  -0.086   9.443  -9.224
  519    HG1  THR  62           HG1      THR  62   0.183   6.722  -8.432
  520   1HG2  THR  62          1HG2      THR  62   1.426   8.768 -11.045
  521   2HG2  THR  62          2HG2      THR  62   1.387   7.087 -10.475
  522   3HG2  THR  62          3HG2      THR  62  -0.096   7.867 -11.082
  523    H    GLY  63           H        GLY  63   2.751   8.594  -5.949
  524   1HA   GLY  63          1HA       GLY  63   2.274   9.270  -3.853
  525   2HA   GLY  63          2HA       GLY  63   2.503  10.889  -4.548
  526    H    LYS  64           H        LYS  64  -0.074   8.419  -5.034
  527    HA   LYS  64           HA       LYS  64  -2.022  10.596  -4.867
  528   1HB   LYS  64          1HB       LYS  64  -2.088   8.929  -6.673
  529   2HB   LYS  64          2HB       LYS  64  -2.279   7.625  -5.492
  530   1HG   LYS  64          1HG       LYS  64  -4.477   8.456  -4.843
  531   2HG   LYS  64          2HG       LYS  64  -4.253   9.946  -5.774
  532   1HD   LYS  64          1HD       LYS  64  -5.735   8.218  -6.863
  533   2HD   LYS  64          2HD       LYS  64  -4.382   8.783  -7.866
  534   1HE   LYS  64          1HE       LYS  64  -3.085   6.802  -7.431
  535   2HE   LYS  64          2HE       LYS  64  -4.192   6.270  -6.157
  536   1HZ   LYS  64          2HZ       LYS  64  -5.909   5.982  -7.938
  537   2HZ   LYS  64          3HZ       LYS  64  -4.786   6.370  -9.030
  538   3HZ   LYS  64          1HZ       LYS  64  -4.595   5.041  -8.099
  539    H    LYS  65           H        LYS  65  -3.632  10.699  -3.297
  540    HA   LYS  65           HA       LYS  65  -2.623   9.800  -0.744
  541   1HB   LYS  65          1HB       LYS  65  -5.178  11.291  -1.474
  542   2HB   LYS  65          2HB       LYS  65  -4.573  11.173   0.164
  543   1HG   LYS  65          1HG       LYS  65  -2.956  12.456  -2.109
  544   2HG   LYS  65          2HG       LYS  65  -4.100  13.321  -1.124
  545   1HD   LYS  65          1HD       LYS  65  -1.827  13.743  -0.401
  546   2HD   LYS  65          2HD       LYS  65  -2.817  13.040   0.860
  547   1HE   LYS  65          1HE       LYS  65  -0.631  12.124   1.060
  548   2HE   LYS  65          2HE       LYS  65  -1.693  10.846   0.549
  549   1HZ   LYS  65          2HZ       LYS  65  -0.728  11.282  -1.785
  550   2HZ   LYS  65          3HZ       LYS  65   0.424  12.158  -1.007
  551   3HZ   LYS  65          1HZ       LYS  65   0.173  10.582  -0.609
  552    HA   PRO  66           HA       PRO  66  -4.435   6.011   0.030
  553   1HB   PRO  66          1HB       PRO  66  -5.307   6.116   2.667
  554   2HB   PRO  66          2HB       PRO  66  -3.596   6.037   2.166
  555   1HG   PRO  66          1HG       PRO  66  -5.215   8.535   2.784
  556   2HG   PRO  66          2HG       PRO  66  -3.611   8.088   3.418
  557   1HD   PRO  66          1HD       PRO  66  -3.705   9.721   1.372
  558   2HD   PRO  66          2HD       PRO  66  -2.585   8.323   1.251
  559    H    GLN  67           H        GLN  67  -6.670   8.510   1.292
  560    HA   GLN  67           HA       GLN  67  -8.937   6.841   1.394
  561   1HB   GLN  67          1HB       GLN  67  -8.467   9.259   2.359
  562   2HB   GLN  67          2HB       GLN  67  -9.030   9.831   0.791
  563   1HG   GLN  67          1HG       GLN  67 -10.878   9.877   2.346
  564   2HG   GLN  67          2HG       GLN  67 -11.196   8.597   1.171
  565   1HE2  GLN  67          2HE2      GLN  67 -11.689   6.317   3.851
  566   2HE2  GLN  67          1HE2      GLN  67 -12.203   6.907   2.286
  567    H    ALA  68           H        ALA  68  -7.489   8.588  -1.331
  568    HA   ALA  68           HA       ALA  68  -9.734   8.024  -3.124
  569   1HB   ALA  68          2HB       ALA  68  -8.339  10.041  -3.466
  570   2HB   ALA  68          3HB       ALA  68  -6.894   9.017  -3.674
  571   3HB   ALA  68          1HB       ALA  68  -8.224   8.933  -4.846
  572    H    ILE  69           H        ILE  69  -6.392   6.703  -2.430
  573    HA   ILE  69           HA       ILE  69  -6.366   4.877  -4.570
  574    HB   ILE  69           HB       ILE  69  -5.122   4.781  -1.780
  575   1HG1  ILE  69          1HG1      ILE  69  -3.815   5.104  -4.500
  576   2HG1  ILE  69          2HG1      ILE  69  -4.378   6.471  -3.597
  577   1HG2  ILE  69          3HG2      ILE  69  -4.845   2.783  -4.030
  578   2HG2  ILE  69          1HG2      ILE  69  -3.644   2.894  -2.740
  579   3HG2  ILE  69          2HG2      ILE  69  -5.295   2.452  -2.348
  580   1HD1  ILE  69          2HD1      ILE  69  -2.337   4.522  -2.434
  581   2HD1  ILE  69          3HD1      ILE  69  -1.916   5.947  -3.375
  582   3HD1  ILE  69          1HD1      ILE  69  -2.803   6.123  -1.845
  583    H    CYS  70           H        CYS  70  -7.638   4.261  -1.284
  584    HA   CYS  70           HA       CYS  70  -8.401   1.544  -1.786
  585   1HB   CYS  70          1HB       CYS  70  -9.539   3.603   0.167
  586   2HB   CYS  70          2HB       CYS  70  -9.726   1.848   0.291
  587    H    VAL  71           H        VAL  71 -10.213   4.592  -2.369
  588    HA   VAL  71           HA       VAL  71 -12.621   3.155  -3.070
  589    HB   VAL  71           HB       VAL  71 -11.715   6.014  -3.434
  590   1HG1  VAL  71          3HG1      VAL  71 -13.374   5.443  -5.237
  591   2HG1  VAL  71          1HG1      VAL  71 -14.524   4.949  -3.974
  592   3HG1  VAL  71          2HG1      VAL  71 -13.972   6.626  -4.072
  593   1HG2  VAL  71          2HG2      VAL  71 -12.219   5.272  -1.096
  594   2HG2  VAL  71          3HG2      VAL  71 -13.411   6.439  -1.676
  595   3HG2  VAL  71          1HG2      VAL  71 -13.820   4.711  -1.632
  596    H    ASP  72           H        ASP  72  -9.905   4.572  -4.957
  597    HA   ASP  72           HA       ASP  72 -10.830   4.096  -7.534
  598   1HB   ASP  72          1HB       ASP  72  -8.919   5.471  -6.806
  599   2HB   ASP  72          2HB       ASP  72  -8.013   4.027  -6.383
  600    H    ILE  73           H        ILE  73  -8.876   1.901  -5.483
  601    HA   ILE  73           HA       ILE  73  -9.083  -0.190  -7.566
  602    HB   ILE  73           HB       ILE  73  -7.444  -1.408  -6.365
  603   1HG1  ILE  73          1HG1      ILE  73  -8.134   0.449  -4.080
  604   2HG1  ILE  73          2HG1      ILE  73  -7.903  -1.289  -4.122
  605   1HG2  ILE  73          2HG2      ILE  73  -6.847   0.558  -7.807
  606   2HG2  ILE  73          3HG2      ILE  73  -6.629   1.521  -6.347
  607   3HG2  ILE  73          1HG2      ILE  73  -5.615   0.076  -6.642
  608   1HD1  ILE  73          2HD1      ILE  73  -5.471  -0.940  -4.476
  609   2HD1  ILE  73          3HD1      ILE  73  -5.731   0.809  -4.316
  610   3HD1  ILE  73          1HD1      ILE  73  -6.063  -0.241  -2.933
  611    H    LYS  74           H        LYS  74 -11.134   0.727  -5.111
  612    HA   LYS  74           HA       LYS  74 -12.954   0.050  -4.415
  613   1HB   LYS  74          1HB       LYS  74 -13.260  -0.701  -6.743
  614   2HB   LYS  74          2HB       LYS  74 -12.801  -2.350  -6.241
  615   1HG   LYS  74          1HG       LYS  74 -14.556  -2.294  -4.556
  616   2HG   LYS  74          2HG       LYS  74 -15.050  -0.702  -5.040
  617   1HD   LYS  74          1HD       LYS  74 -15.758  -1.384  -7.231
  618   2HD   LYS  74          2HD       LYS  74 -15.111  -2.984  -6.937
  619   1HE   LYS  74          1HE       LYS  74 -17.402  -3.311  -6.628
  620   2HE   LYS  74          2HE       LYS  74 -16.797  -3.156  -4.972
  621   1HZ   LYS  74          1HZ       LYS  74 -18.061  -0.932  -6.493
  622   2HZ   LYS  74          2HZ       LYS  74 -18.839  -1.843  -5.380
  623   3HZ   LYS  74          3HZ       LYS  74 -17.674  -0.896  -4.910
  624    H    ILE  75           H        ILE  75 -12.086  -0.026  -2.436
  625    HA   ILE  75           HA       ILE  75 -12.195  -2.690  -1.119
  626    HB   ILE  75           HB       ILE  75  -9.996  -0.602  -0.840
  627   1HG1  ILE  75          1HG1      ILE  75  -9.992  -3.422  -2.033
  628   2HG1  ILE  75          2HG1      ILE  75  -9.647  -1.906  -2.864
  629   1HG2  ILE  75          2HG2      ILE  75 -10.326  -3.262   0.594
  630   2HG2  ILE  75          3HG2      ILE  75  -8.883  -2.250   0.699
  631   3HG2  ILE  75          1HG2      ILE  75 -10.375  -1.620   1.330
  632   1HD1  ILE  75          3HD1      ILE  75  -7.600  -1.664  -1.387
  633   2HD1  ILE  75          1HD1      ILE  75  -7.887  -3.350  -0.875
  634   3HD1  ILE  75          2HD1      ILE  75  -7.572  -2.996  -2.570
  635    H    CYS  76           H        CYS  76 -12.970   0.760  -1.025
  636    HA   CYS  76           HA       CYS  76 -13.198   0.744   1.886
  637   1HB   CYS  76          1HB       CYS  76 -12.203   2.703   0.718
  638   2HB   CYS  76          2HB       CYS  76 -13.737   2.997  -0.065
  639    H    LYS  77           H        LYS  77 -15.378   2.121  -0.477
  640    HA   LYS  77           HA       LYS  77 -17.622   0.587  -0.085
  641   1HB   LYS  77          1HB       LYS  77 -18.021   1.409   2.112
  642   2HB   LYS  77          2HB       LYS  77 -17.670   3.070   1.657
  643   1HG   LYS  77          1HG       LYS  77 -20.111   2.434   2.146
  644   2HG   LYS  77          2HG       LYS  77 -19.759   3.445   0.787
  645   1HD   LYS  77          1HD       LYS  77 -19.887   0.960  -0.478
  646   2HD   LYS  77          2HD       LYS  77 -20.978   0.737   0.880
  647   1HE   LYS  77          1HE       LYS  77 -22.312   1.554  -0.929
  648   2HE   LYS  77          2HE       LYS  77 -22.127   2.909   0.197
  649   1HZ   LYS  77          3HZ       LYS  77 -20.195   3.567  -1.366
  650   2HZ   LYS  77          1HZ       LYS  77 -20.784   2.507  -2.415
  651   3HZ   LYS  77          2HZ       LYS  77 -21.728   3.747  -1.983
  652    H    GLU  78           H        GLU  78 -16.744   0.882  -2.221
  653    HA   GLU  78           HA       GLU  78 -17.796   3.157  -3.740
  654   1HB   GLU  78          1HB       GLU  78 -16.730   0.510  -4.757
  655   2HB   GLU  78          2HB       GLU  78 -16.799   2.030  -5.602
  656   1HG   GLU  78          1HG       GLU  78 -14.539   1.360  -5.075
  657   2HG   GLU  78          2HG       GLU  78 -14.935   2.869  -4.285
   
  No H/Q in entry =         657
  Start of MODEL    7
    1   1H    GLY   1          2H        GLY   1 -15.772  -2.565   3.083
    2   2H    GLY   1          3H        GLY   1 -16.942  -1.464   2.712
    3   3H    GLY   1          1H        GLY   1 -15.496  -0.954   3.279
    4   1HA   GLY   1          1HA       GLY   1 -17.064  -0.830   5.074
    5   2HA   GLY   1          2HA       GLY   1 -17.522  -2.524   4.722
    6    H    TYR   2           H        TYR   2 -15.818  -0.843   7.065
    7    HA   TYR   2           HA       TYR   2 -14.031  -1.117   8.381
    8   1HB   TYR   2          1HB       TYR   2 -14.866  -3.229   9.085
    9   2HB   TYR   2          2HB       TYR   2 -14.318  -4.038   7.630
   10    HD1  TYR   2           HD2      TYR   2 -12.911  -2.060  10.533
   11    HD2  TYR   2           HD1      TYR   2 -12.322  -5.262   7.692
   12    HE1  TYR   2           HE2      TYR   2 -10.790  -2.640  11.635
   13    HE2  TYR   2           HE1      TYR   2 -10.194  -5.855   8.802
   14    HH   TYR   2           HH       TYR   2  -9.095  -4.327  11.789
   15    H    PHE   3           H        PHE   3 -13.312  -3.172   5.621
   16    HA   PHE   3           HA       PHE   3 -10.834  -3.000   4.920
   17   1HB   PHE   3          1HB       PHE   3 -13.277  -2.402   3.227
   18   2HB   PHE   3          2HB       PHE   3 -11.681  -2.477   2.542
   19    HD1  PHE   3           HD1      PHE   3 -10.276  -4.502   2.648
   20    HD2  PHE   3           HD2      PHE   3 -14.537  -4.485   3.352
   21    HE1  PHE   3           HE1      PHE   3 -10.436  -6.878   1.939
   22    HE2  PHE   3           HE2      PHE   3 -14.656  -6.861   2.759
   23    HZ   PHE   3           HZ       PHE   3 -12.616  -8.053   2.038
   24    H    CYS   4           H        CYS   4 -12.823   0.016   4.712
   25    HA   CYS   4           HA       CYS   4 -10.955   1.385   3.032
   26   1HB   CYS   4          1HB       CYS   4 -13.396   2.106   3.587
   27   2HB   CYS   4          2HB       CYS   4 -12.722   2.795   5.065
   28    H    GLU   5           H        GLU   5 -11.382   1.417   6.638
   29    HA   GLU   5           HA       GLU   5  -9.073   3.065   7.075
   30   1HB   GLU   5          1HB       GLU   5 -10.766   3.019   8.760
   31   2HB   GLU   5          2HB       GLU   5 -10.649   1.266   8.930
   32   1HG   GLU   5          1HG       GLU   5  -9.535   2.530  10.773
   33   2HG   GLU   5          2HG       GLU   5  -8.491   1.391   9.943
   34    H    SER   6           H        SER   6  -9.662  -0.514   7.152
   35    HA   SER   6           HA       SER   6  -7.131  -1.378   7.870
   36   1HB   SER   6          1HB       SER   6  -8.676  -2.654   5.589
   37   2HB   SER   6          2HB       SER   6  -7.752  -3.444   6.867
   38    HG   SER   6           HG       SER   6  -9.402  -3.010   8.303
   39    H    CYS   7           H        CYS   7  -8.238  -0.648   4.556
   40    HA   CYS   7           HA       CYS   7  -5.818  -1.067   3.122
   41   1HB   CYS   7          1HB       CYS   7  -8.017  -1.112   2.112
   42   2HB   CYS   7          2HB       CYS   7  -8.356   0.531   2.615
   43    H    ARG   8           H        ARG   8  -7.385   1.915   4.416
   44    HA   ARG   8           HA       ARG   8  -5.493   3.768   3.510
   45   1HB   ARG   8          1HB       ARG   8  -7.587   4.555   4.407
   46   2HB   ARG   8          2HB       ARG   8  -7.315   3.735   5.952
   47   1HG   ARG   8          1HG       ARG   8  -5.463   5.190   6.490
   48   2HG   ARG   8          2HG       ARG   8  -5.592   6.025   4.933
   49   1HD   ARG   8          1HD       ARG   8  -7.699   6.998   5.576
   50   2HD   ARG   8          2HD       ARG   8  -7.813   5.958   6.999
   51    HE   ARG   8           HE       ARG   8  -5.666   8.015   6.573
   52   1HH1  ARG   8          2HH2      ARG   8  -7.630   6.129   8.926
   53   2HH1  ARG   8          1HH2      ARG   8  -7.216   7.146  10.240
   54   1HH2  ARG   8          2HH1      ARG   8  -4.854   9.045   8.305
   55   2HH2  ARG   8          1HH1      ARG   8  -5.527   8.888   9.897
   56    H    LYS   9           H        LYS   9  -5.590   1.991   6.645
   57    HA   LYS   9           HA       LYS   9  -3.192   3.103   7.636
   58   1HB   LYS   9          1HB       LYS   9  -4.949   1.949   8.939
   59   2HB   LYS   9          2HB       LYS   9  -4.479   0.400   8.238
   60   1HG   LYS   9          1HG       LYS   9  -2.353   0.440   9.316
   61   2HG   LYS   9          2HG       LYS   9  -2.508   2.141   9.778
   62   1HD   LYS   9          1HD       LYS   9  -4.664   0.308  10.792
   63   2HD   LYS   9          2HD       LYS   9  -3.053   0.013  11.424
   64   1HE   LYS   9          1HE       LYS   9  -4.368   1.500  12.882
   65   2HE   LYS   9          2HE       LYS   9  -2.858   2.228  12.329
   66   1HZ   LYS   9          3HZ       LYS   9  -5.524   2.835  11.136
   67   2HZ   LYS   9          1HZ       LYS   9  -4.775   3.752  12.246
   68   3HZ   LYS   9          2HZ       LYS   9  -4.131   3.538  10.747
   69    H    ILE  10           H        ILE  10  -3.699   0.173   5.633
   70    HA   ILE  10           HA       ILE  10  -1.010  -0.729   5.600
   71    HB   ILE  10           HB       ILE  10  -3.289  -1.075   3.647
   72   1HG1  ILE  10          1HG1      ILE  10  -1.903  -3.121   5.429
   73   2HG1  ILE  10          2HG1      ILE  10  -3.189  -2.117   6.053
   74   1HG2  ILE  10          3HG2      ILE  10  -0.515  -2.337   3.567
   75   2HG2  ILE  10          1HG2      ILE  10  -1.903  -2.926   2.632
   76   3HG2  ILE  10          2HG2      ILE  10  -1.252  -1.324   2.310
   77   1HD1  ILE  10          1HD1      ILE  10  -3.533  -3.945   3.654
   78   2HD1  ILE  10          2HD1      ILE  10  -4.019  -4.316   5.310
   79   3HD1  ILE  10          3HD1      ILE  10  -4.787  -2.973   4.437
   80    H    ILE  11           H        ILE  11  -2.687   1.437   3.207
   81    HA   ILE  11           HA       ILE  11  -0.254   1.998   1.798
   82    HB   ILE  11           HB       ILE  11  -2.907   3.466   1.954
   83   1HG1  ILE  11          1HG1      ILE  11  -3.219   1.353   0.830
   84   2HG1  ILE  11          2HG1      ILE  11  -3.273   2.644  -0.356
   85   1HG2  ILE  11          1HG2      ILE  11  -1.187   5.114   1.298
   86   2HG2  ILE  11          2HG2      ILE  11  -0.609   4.033   0.027
   87   3HG2  ILE  11          3HG2      ILE  11  -2.251   4.711  -0.025
   88   1HD1  ILE  11          2HD1      ILE  11  -0.988   2.081  -1.105
   89   2HD1  ILE  11          3HD1      ILE  11  -0.921   0.764   0.094
   90   3HD1  ILE  11          1HD1      ILE  11  -2.101   0.713  -1.223
   91    H    GLN  12           H        GLN  12  -1.805   3.687   4.565
   92    HA   GLN  12           HA       GLN  12  -0.263   6.036   4.440
   93   1HB   GLN  12          1HB       GLN  12  -1.452   4.538   6.820
   94   2HB   GLN  12          2HB       GLN  12  -0.629   6.069   7.030
   95   1HG   GLN  12          1HG       GLN  12  -2.850   6.002   5.005
   96   2HG   GLN  12          2HG       GLN  12  -3.278   5.820   6.701
   97   1HE2  GLN  12          2HE2      GLN  12  -1.383   9.409   6.012
   98   2HE2  GLN  12          1HE2      GLN  12  -0.582   7.961   5.497
   99    H    LYS  13           H        LYS  13   0.465   2.987   6.268
  100    HA   LYS  13           HA       LYS  13   2.966   4.160   7.051
  101   1HB   LYS  13          1HB       LYS  13   1.739   2.385   8.387
  102   2HB   LYS  13          2HB       LYS  13   2.382   1.196   7.251
  103   1HG   LYS  13          1HG       LYS  13   3.668   1.480   9.424
  104   2HG   LYS  13          2HG       LYS  13   4.646   1.620   7.962
  105   1HD   LYS  13          1HD       LYS  13   4.797   3.977   8.141
  106   2HD   LYS  13          2HD       LYS  13   3.526   4.079   9.367
  107   1HE   LYS  13          1HE       LYS  13   4.995   3.129  11.042
  108   2HE   LYS  13          2HE       LYS  13   6.235   2.771   9.812
  109   1HZ   LYS  13          1HZ       LYS  13   5.341   5.558  10.243
  110   2HZ   LYS  13          2HZ       LYS  13   6.631   4.921  11.096
  111   3HZ   LYS  13          3HZ       LYS  13   6.562   5.083   9.451
  112    H    LEU  14           H        LEU  14   1.952   2.426   4.193
  113    HA   LEU  14           HA       LEU  14   4.578   1.673   3.300
  114   1HB   LEU  14          1HB       LEU  14   2.304   0.953   2.275
  115   2HB   LEU  14          2HB       LEU  14   2.248   2.528   1.519
  116    HG   LEU  14           HG       LEU  14   3.002   0.970  -0.077
  117   1HD1  LEU  14          2HD1      LEU  14   4.241   3.190  -0.081
  118   2HD1  LEU  14          3HD1      LEU  14   5.588   2.331   0.702
  119   3HD1  LEU  14          1HD1      LEU  14   5.058   1.844  -0.892
  120   1HD2  LEU  14          1HD2      LEU  14   3.776  -0.783   1.378
  121   2HD2  LEU  14          2HD2      LEU  14   5.016  -0.394   0.177
  122   3HD2  LEU  14          3HD2      LEU  14   5.219   0.157   1.846
  123    H    GLU  15           H        GLU  15   2.503   4.533   2.556
  124    HA   GLU  15           HA       GLU  15   4.400   5.864   0.976
  125   1HB   GLU  15          1HB       GLU  15   1.871   6.170   1.148
  126   2HB   GLU  15          2HB       GLU  15   2.143   7.120   2.613
  127   1HG   GLU  15          1HG       GLU  15   3.489   8.737   1.309
  128   2HG   GLU  15          2HG       GLU  15   3.352   7.709  -0.122
  129    H    ASP  16           H        ASP  16   3.678   6.214   4.437
  130    HA   ASP  16           HA       ASP  16   5.570   8.155   5.193
  131   1HB   ASP  16          1HB       ASP  16   3.876   7.410   6.720
  132   2HB   ASP  16          2HB       ASP  16   4.260   5.724   6.437
  133    H    MET  17           H        MET  17   6.112   4.598   4.893
  134    HA   MET  17           HA       MET  17   8.837   4.963   5.873
  135   1HB   MET  17          1HB       MET  17   7.387   2.548   4.732
  136   2HB   MET  17          2HB       MET  17   9.071   2.520   5.287
  137   1HG   MET  17          1HG       MET  17   8.304   3.361   7.523
  138   2HG   MET  17          2HG       MET  17   6.650   3.173   6.989
  139   1HE   MET  17          1HE       MET  17   6.189   0.599   5.612
  140   2HE   MET  17          2HE       MET  17   7.868   0.201   5.199
  141   3HE   MET  17          3HE       MET  17   6.937  -0.898   6.231
  142    H    VAL  18           H        VAL  18   7.375   4.261   2.641
  143    HA   VAL  18           HA       VAL  18   9.982   3.934   1.421
  144    HB   VAL  18           HB       VAL  18   7.715   3.020   0.648
  145   1HG1  VAL  18          1HG1      VAL  18   6.489   5.170   0.536
  146   2HG1  VAL  18          2HG1      VAL  18   7.516   5.661  -0.817
  147   3HG1  VAL  18          3HG1      VAL  18   6.460   4.250  -0.986
  148   1HG2  VAL  18          3HG2      VAL  18   9.784   4.110  -1.238
  149   2HG2  VAL  18          1HG2      VAL  18   9.621   2.493  -0.531
  150   3HG2  VAL  18          2HG2      VAL  18   8.453   3.030  -1.743
  151    H    GLY  19           H        GLY  19   7.791   6.662   2.077
  152   1HA   GLY  19          1HA       GLY  19   8.296   8.821   2.338
  153   2HA   GLY  19          2HA       GLY  19   9.968   8.527   1.819
  154    HA   PRO  20           HA       PRO  20   7.620  10.652  -1.621
  155   1HB   PRO  20          1HB       PRO  20   9.218  12.812  -2.041
  156   2HB   PRO  20          2HB       PRO  20   8.073  12.755  -0.664
  157   1HG   PRO  20          1HG       PRO  20  11.038  12.092  -0.650
  158   2HG   PRO  20          2HG       PRO  20  10.142  13.168   0.471
  159   1HD   PRO  20          1HD       PRO  20  10.684  10.528   1.007
  160   2HD   PRO  20          2HD       PRO  20   9.179  11.345   1.593
  161    H    GLN  21           H        GLN  21   8.310  11.062  -3.659
  162    HA   GLN  21           HA       GLN  21   8.903  10.045  -5.684
  163   1HB   GLN  21          1HB       GLN  21  11.610  11.063  -4.759
  164   2HB   GLN  21          2HB       GLN  21  11.101  10.770  -6.430
  165   1HG   GLN  21          1HG       GLN  21   9.291  12.504  -6.113
  166   2HG   GLN  21          2HG       GLN  21  10.000  12.895  -4.540
  167   1HE2  GLN  21          2HE2      GLN  21  13.084  14.086  -6.348
  168   2HE2  GLN  21          1HE2      GLN  21  12.827  12.759  -5.220
  169    HA   PRO  22           HA       PRO  22  10.884   6.145  -4.062
  170   1HB   PRO  22          1HB       PRO  22   8.844   4.450  -3.790
  171   2HB   PRO  22          2HB       PRO  22   9.081   5.771  -2.605
  172   1HG   PRO  22          1HG       PRO  22   7.231   5.799  -5.021
  173   2HG   PRO  22          2HG       PRO  22   6.821   6.105  -3.299
  174   1HD   PRO  22          1HD       PRO  22   7.465   8.150  -5.030
  175   2HD   PRO  22          2HD       PRO  22   7.886   8.186  -3.289
  176    H    ASN  23           H        ASN  23  10.314   3.788  -5.250
  177    HA   ASN  23           HA       ASN  23   9.535   4.188  -8.051
  178   1HB   ASN  23          1HB       ASN  23  11.443   2.907  -8.894
  179   2HB   ASN  23          2HB       ASN  23  11.971   4.408  -8.139
  180   1HD2  ASN  23          2HD2      ASN  23  13.950   2.740  -5.711
  181   2HD2  ASN  23          1HD2      ASN  23  13.575   4.237  -6.536
  182    H    GLU  24           H        GLU  24   8.950   2.195  -9.019
  183    HA   GLU  24           HA       GLU  24   7.103   0.707  -7.718
  184   1HB   GLU  24          1HB       GLU  24   7.220   0.928 -10.067
  185   2HB   GLU  24          2HB       GLU  24   8.784   0.148 -10.173
  186   1HG   GLU  24          1HG       GLU  24   7.887  -2.003  -9.946
  187   2HG   GLU  24          2HG       GLU  24   6.503  -1.446  -8.999
  188    H    ASP  25           H        ASP  25  10.592  -0.271  -7.912
  189    HA   ASP  25           HA       ASP  25   9.992  -2.881  -6.751
  190   1HB   ASP  25          1HB       ASP  25  12.034  -2.702  -8.045
  191   2HB   ASP  25          2HB       ASP  25  12.648  -1.424  -6.974
  192    H    THR  26           H        THR  26  11.406   0.181  -5.579
  193    HA   THR  26           HA       THR  26  11.803  -0.652  -2.920
  194    HB   THR  26           HB       THR  26  11.130   2.203  -3.756
  195    HG1  THR  26           HG1      THR  26  12.797   1.119  -5.056
  196   1HG2  THR  26          3HG2      THR  26  11.479   1.695  -1.268
  197   2HG2  THR  26          1HG2      THR  26  13.096   1.119  -1.670
  198   3HG2  THR  26          2HG2      THR  26  12.666   2.819  -1.955
  199    H    VAL  27           H        VAL  27   8.882   0.651  -4.483
  200    HA   VAL  27           HA       VAL  27   7.251   0.757  -2.104
  201    HB   VAL  27           HB       VAL  27   6.614   0.501  -5.080
  202   1HG1  VAL  27          2HG1      VAL  27   4.654   0.736  -2.765
  203   2HG1  VAL  27          3HG1      VAL  27   4.260   1.179  -4.432
  204   3HG1  VAL  27          1HG1      VAL  27   4.695  -0.489  -4.047
  205   1HG2  VAL  27          3HG2      VAL  27   7.577   2.659  -4.317
  206   2HG2  VAL  27          1HG2      VAL  27   5.923   2.837  -4.886
  207   3HG2  VAL  27          2HG2      VAL  27   6.265   2.828  -3.137
  208    H    THR  28           H        THR  28   7.863  -1.840  -4.529
  209    HA   THR  28           HA       THR  28   6.021  -3.717  -3.450
  210    HB   THR  28           HB       THR  28   8.521  -4.073  -5.165
  211    HG1  THR  28           HG1      THR  28   7.126  -2.866  -6.269
  212   1HG2  THR  28          2HG2      THR  28   6.190  -5.962  -4.651
  213   2HG2  THR  28          3HG2      THR  28   7.439  -6.161  -5.909
  214   3HG2  THR  28          1HG2      THR  28   7.896  -6.225  -4.204
  215    H    GLN  29           H        GLN  29   9.607  -3.340  -2.890
  216    HA   GLN  29           HA       GLN  29   9.610  -5.495  -0.984
  217   1HB   GLN  29          1HB       GLN  29  11.833  -4.628  -0.284
  218   2HB   GLN  29          2HB       GLN  29  11.678  -5.088  -1.979
  219   1HG   GLN  29          1HG       GLN  29  11.738  -2.872  -2.729
  220   2HG   GLN  29          2HG       GLN  29  11.489  -2.200  -1.106
  221   1HE2  GLN  29          2HE2      GLN  29  15.243  -2.891  -2.392
  222   2HE2  GLN  29          1HE2      GLN  29  13.864  -3.013  -3.473
  223    H    ALA  30           H        ALA  30   9.441  -1.879  -0.551
  224    HA   ALA  30           HA       ALA  30   9.351  -1.881   2.248
  225   1HB   ALA  30          1HB       ALA  30   9.547   0.188   0.934
  226   2HB   ALA  30          2HB       ALA  30   7.885  -0.018   0.329
  227   3HB   ALA  30          3HB       ALA  30   8.177   0.283   2.053
  228    H    ALA  31           H        ALA  31   6.706  -2.464  -0.094
  229    HA   ALA  31           HA       ALA  31   4.628  -2.698   1.833
  230   1HB   ALA  31          2HB       ALA  31   4.139  -2.446  -0.592
  231   2HB   ALA  31          3HB       ALA  31   4.869  -4.025  -0.926
  232   3HB   ALA  31          1HB       ALA  31   3.394  -3.921   0.046
  233    H    SER  32           H        SER  32   6.858  -5.223   0.446
  234    HA   SER  32           HA       SER  32   5.593  -7.384   1.804
  235   1HB   SER  32          1HB       SER  32   7.499  -8.659   1.330
  236   2HB   SER  32          2HB       SER  32   7.414  -7.491   0.008
  237    HG   SER  32           HG       SER  32   9.044  -6.252   1.235
  238    H    GLN  33           H        GLN  33   7.826  -4.927   3.058
  239    HA   GLN  33           HA       GLN  33   7.744  -6.112   5.747
  240   1HB   GLN  33          1HB       GLN  33   9.089  -3.674   4.551
  241   2HB   GLN  33          2HB       GLN  33   8.937  -3.864   6.296
  242   1HG   GLN  33          1HG       GLN  33  11.108  -4.670   5.556
  243   2HG   GLN  33          2HG       GLN  33  10.157  -5.984   6.250
  244   1HE2  GLN  33          2HE2      GLN  33  10.067  -7.753   3.154
  245   2HE2  GLN  33          1HE2      GLN  33   9.664  -7.842   4.881
  246    H    VAL  34           H        VAL  34   5.972  -3.513   3.994
  247    HA   VAL  34           HA       VAL  34   5.042  -2.136   6.238
  248    HB   VAL  34           HB       VAL  34   4.652  -1.603   3.737
  249   1HG1  VAL  34          3HG1      VAL  34   3.041  -3.525   3.144
  250   2HG1  VAL  34          1HG1      VAL  34   1.892  -2.722   4.191
  251   3HG1  VAL  34          2HG1      VAL  34   2.489  -1.903   2.759
  252   1HG2  VAL  34          3HG2      VAL  34   4.104  -0.095   5.447
  253   2HG2  VAL  34          1HG2      VAL  34   2.824  -0.130   4.227
  254   3HG2  VAL  34          2HG2      VAL  34   2.564  -0.958   5.779
  255    H    CYS  35           H        CYS  35   3.883  -5.027   4.587
  256    HA   CYS  35           HA       CYS  35   1.600  -5.547   6.215
  257   1HB   CYS  35          1HB       CYS  35   3.333  -7.517   4.676
  258   2HB   CYS  35          2HB       CYS  35   1.673  -7.764   5.212
  259    H    ASP  36           H        ASP  36   4.998  -7.005   6.322
  260    HA   ASP  36           HA       ASP  36   4.380  -8.515   8.647
  261   1HB   ASP  36          1HB       ASP  36   6.492  -8.782   7.283
  262   2HB   ASP  36          2HB       ASP  36   7.150  -7.409   8.210
  263    H    LYS  37           H        LYS  37   5.459  -5.149   8.401
  264    HA   LYS  37           HA       LYS  37   5.923  -4.860  11.217
  265   1HB   LYS  37          1HB       LYS  37   6.902  -3.563   9.227
  266   2HB   LYS  37          2HB       LYS  37   5.409  -2.615   9.211
  267   1HG   LYS  37          1HG       LYS  37   5.884  -1.872  11.525
  268   2HG   LYS  37          2HG       LYS  37   7.311  -2.914  11.589
  269   1HD   LYS  37          1HD       LYS  37   6.931  -0.524   9.738
  270   2HD   LYS  37          2HD       LYS  37   7.905  -0.557  11.214
  271   1HE   LYS  37          1HE       LYS  37   9.310  -2.398  10.153
  272   2HE   LYS  37          2HE       LYS  37   8.425  -2.127   8.649
  273   1HZ   LYS  37          3HZ       LYS  37  10.099  -0.104  10.027
  274   2HZ   LYS  37          1HZ       LYS  37  10.505  -0.926   8.670
  275   3HZ   LYS  37          2HZ       LYS  37   9.266   0.137   8.626
  276    H    LEU  38           H        LEU  38   3.135  -4.025   9.066
  277    HA   LEU  38           HA       LEU  38   1.503  -3.217  11.399
  278   1HB   LEU  38          1HB       LEU  38   0.820  -3.689   8.459
  279   2HB   LEU  38          2HB       LEU  38  -0.325  -3.146   9.677
  280    HG   LEU  38           HG       LEU  38   2.145  -1.564   8.835
  281   1HD1  LEU  38          1HD1      LEU  38  -0.790  -1.284   8.041
  282   2HD1  LEU  38          2HD1      LEU  38   0.512  -0.161   7.602
  283   3HD1  LEU  38          3HD1      LEU  38   0.544  -1.820   6.994
  284   1HD2  LEU  38          1HD2      LEU  38  -0.271  -0.811  10.545
  285   2HD2  LEU  38          2HD2      LEU  38   1.411  -0.968  11.102
  286   3HD2  LEU  38          3HD2      LEU  38   0.978   0.317   9.970
  287    H    LYS  39           H        LYS  39   1.992  -5.324  12.538
  288    HA   LYS  39           HA       LYS  39   1.039  -7.650  11.109
  289   1HB   LYS  39          1HB       LYS  39   1.524  -9.012  13.123
  290   2HB   LYS  39          2HB       LYS  39   2.821  -8.309  12.208
  291   1HG   LYS  39          1HG       LYS  39   1.987  -6.661  14.545
  292   2HG   LYS  39          2HG       LYS  39   2.541  -8.283  14.975
  293   1HD   LYS  39          1HD       LYS  39   4.095  -6.348  13.220
  294   2HD   LYS  39          2HD       LYS  39   4.389  -6.571  14.943
  295   1HE   LYS  39          1HE       LYS  39   5.383  -8.671  14.665
  296   2HE   LYS  39          2HE       LYS  39   4.457  -9.028  13.205
  297   1HZ   LYS  39          1HZ       LYS  39   5.789  -7.430  12.003
  298   2HZ   LYS  39          2HZ       LYS  39   6.789  -7.223  13.310
  299   3HZ   LYS  39          3HZ       LYS  39   6.661  -8.645  12.476
  300    H    ILE  40           H        ILE  40  -0.498  -9.228  12.130
  301    HA   ILE  40           HA       ILE  40  -2.628  -9.812  12.584
  302    HB   ILE  40           HB       ILE  40  -3.209  -6.987  13.584
  303   1HG1  ILE  40          1HG1      ILE  40  -1.541  -7.972  15.054
  304   2HG1  ILE  40          2HG1      ILE  40  -3.100  -7.899  15.848
  305   1HG2  ILE  40          3HG2      ILE  40  -4.850  -9.530  13.753
  306   2HG2  ILE  40          1HG2      ILE  40  -5.196  -8.014  14.612
  307   3HG2  ILE  40          2HG2      ILE  40  -5.231  -8.052  12.852
  308   1HD1  ILE  40          1HD1      ILE  40  -3.430 -10.340  15.437
  309   2HD1  ILE  40          2HD1      ILE  40  -1.830 -10.407  14.655
  310   3HD1  ILE  40          3HD1      ILE  40  -1.967  -9.995  16.370
  311    H    LEU  41           H        LEU  41  -2.363  -6.458  11.289
  312    HA   LEU  41           HA       LEU  41  -4.284  -6.966   9.149
  313   1HB   LEU  41          1HB       LEU  41  -3.931  -4.839  10.420
  314   2HB   LEU  41          2HB       LEU  41  -2.307  -4.717   9.755
  315    HG   LEU  41           HG       LEU  41  -3.208  -4.313   7.518
  316   1HD1  LEU  41          2HD1      LEU  41  -5.969  -4.498   8.824
  317   2HD1  LEU  41          3HD1      LEU  41  -5.619  -3.985   7.154
  318   3HD1  LEU  41          1HD1      LEU  41  -5.306  -5.651   7.649
  319   1HD2  LEU  41          3HD2      LEU  41  -4.480  -2.610   9.709
  320   2HD2  LEU  41          1HD2      LEU  41  -2.854  -2.412   9.017
  321   3HD2  LEU  41          2HD2      LEU  41  -4.287  -2.117   8.020
  322    H    ARG  42           H        ARG  42  -1.270  -8.013   9.582
  323    HA   ARG  42           HA       ARG  42   0.260  -7.849   7.255
  324   1HB   ARG  42          1HB       ARG  42   0.823  -8.842   9.475
  325   2HB   ARG  42          2HB       ARG  42  -0.215 -10.216   9.142
  326   1HG   ARG  42          1HG       ARG  42   1.392 -10.904   7.326
  327   2HG   ARG  42          2HG       ARG  42   2.413  -9.514   7.766
  328   1HD   ARG  42          1HD       ARG  42   2.326 -10.408  10.187
  329   2HD   ARG  42          2HD       ARG  42   1.617 -11.880   9.533
  330    HE   ARG  42           HE       ARG  42   4.388 -10.817   9.019
  331   1HH1  ARG  42          2HH2      ARG  42   2.353 -13.729   9.434
  332   2HH1  ARG  42          1HH2      ARG  42   3.735 -14.745   9.629
  333   1HH2  ARG  42          2HH1      ARG  42   6.030 -12.054   9.293
  334   2HH2  ARG  42          1HH1      ARG  42   5.962 -13.784   9.495
  335    H    GLY  43           H        GLY  43  -2.447 -10.070   8.047
  336   1HA   GLY  43          1HA       GLY  43  -2.278 -11.728   5.743
  337   2HA   GLY  43          2HA       GLY  43  -3.716 -11.483   6.751
  338    H    LEU  44           H        LEU  44  -4.483  -8.936   6.429
  339    HA   LEU  44           HA       LEU  44  -5.718  -9.035   3.892
  340   1HB   LEU  44          1HB       LEU  44  -6.475  -7.790   6.079
  341   2HB   LEU  44          2HB       LEU  44  -5.436  -6.482   5.503
  342    HG   LEU  44           HG       LEU  44  -6.767  -6.625   3.277
  343   1HD1  LEU  44          3HD1      LEU  44  -8.639  -8.202   5.114
  344   2HD1  LEU  44          1HD1      LEU  44  -9.077  -7.549   3.535
  345   3HD1  LEU  44          2HD1      LEU  44  -7.860  -8.818   3.642
  346   1HD2  LEU  44          2HD2      LEU  44  -8.213  -5.755   5.814
  347   2HD2  LEU  44          3HD2      LEU  44  -7.051  -4.783   4.874
  348   3HD2  LEU  44          1HD2      LEU  44  -8.604  -5.242   4.163
  349    H    CYS  45           H        CYS  45  -3.012  -6.973   5.098
  350    HA   CYS  45           HA       CYS  45  -2.387  -5.579   2.819
  351   1HB   CYS  45          1HB       CYS  45  -1.478  -5.312   5.086
  352   2HB   CYS  45          2HB       CYS  45  -0.573  -6.806   4.929
  353    H    LYS  46           H        LYS  46  -0.906  -8.809   3.683
  354    HA   LYS  46           HA       LYS  46   0.441  -8.937   1.164
  355   1HB   LYS  46          1HB       LYS  46  -0.356 -11.238   2.989
  356   2HB   LYS  46          2HB       LYS  46   0.686 -11.400   1.581
  357   1HG   LYS  46          1HG       LYS  46   1.300  -9.777   4.073
  358   2HG   LYS  46          2HG       LYS  46   1.975 -11.345   3.683
  359   1HD   LYS  46          1HD       LYS  46   2.419  -8.854   1.998
  360   2HD   LYS  46          2HD       LYS  46   3.454  -9.298   3.332
  361   1HE   LYS  46          1HE       LYS  46   2.993 -11.311   1.119
  362   2HE   LYS  46          2HE       LYS  46   4.039  -9.920   0.820
  363   1HZ   LYS  46          1HZ       LYS  46   5.393 -10.560   2.703
  364   2HZ   LYS  46          2HZ       LYS  46   4.463 -11.892   2.978
  365   3HZ   LYS  46          3HZ       LYS  46   5.332 -11.760   1.593
  366    H    LYS  47           H        LYS  47  -2.869 -10.057   2.028
  367    HA   LYS  47           HA       LYS  47  -3.352 -11.292  -0.500
  368   1HB   LYS  47          1HB       LYS  47  -4.893 -11.544   1.394
  369   2HB   LYS  47          2HB       LYS  47  -5.361  -9.852   1.304
  370   1HG   LYS  47          1HG       LYS  47  -5.723 -11.706  -1.092
  371   2HG   LYS  47          2HG       LYS  47  -6.865 -11.715   0.247
  372   1HD   LYS  47          1HD       LYS  47  -7.282  -9.283  -0.084
  373   2HD   LYS  47          2HD       LYS  47  -6.293  -9.303  -1.539
  374   1HE   LYS  47          1HE       LYS  47  -8.733 -11.082  -1.130
  375   2HE   LYS  47          2HE       LYS  47  -8.814  -9.474  -1.850
  376   1HZ   LYS  47          1HZ       LYS  47  -7.244 -11.707  -2.984
  377   2HZ   LYS  47          2HZ       LYS  47  -8.712 -11.206  -3.513
  378   3HZ   LYS  47          3HZ       LYS  47  -7.433 -10.214  -3.666
  379    H    ILE  48           H        ILE  48  -3.905  -7.850   0.517
  380    HA   ILE  48           HA       ILE  48  -4.955  -7.002  -1.969
  381    HB   ILE  48           HB       ILE  48  -3.534  -5.528   0.272
  382   1HG1  ILE  48          1HG1      ILE  48  -6.442  -5.444  -0.679
  383   2HG1  ILE  48          2HG1      ILE  48  -5.878  -6.560   0.554
  384   1HG2  ILE  48          1HG2      ILE  48  -4.831  -4.284  -2.203
  385   2HG2  ILE  48          2HG2      ILE  48  -4.273  -3.391  -0.774
  386   3HG2  ILE  48          3HG2      ILE  48  -3.107  -4.220  -1.784
  387   1HD1  ILE  48          1HD1      ILE  48  -5.164  -4.643   1.977
  388   2HD1  ILE  48          2HD1      ILE  48  -5.871  -3.526   0.783
  389   3HD1  ILE  48          3HD1      ILE  48  -6.906  -4.674   1.637
  390    H    MET  49           H        MET  49  -1.536  -6.993  -0.815
  391    HA   MET  49           HA       MET  49  -0.418  -5.956  -3.210
  392   1HB   MET  49          1HB       MET  49   0.854  -7.942  -1.274
  393   2HB   MET  49          2HB       MET  49   1.694  -6.957  -2.468
  394   1HG   MET  49          1HG       MET  49   0.278  -6.027   0.029
  395   2HG   MET  49          2HG       MET  49   1.979  -5.889  -0.357
  396   1HE   MET  49          1HE       MET  49  -0.498  -3.754   0.649
  397   2HE   MET  49          2HE       MET  49   1.236  -3.377   0.796
  398   3HE   MET  49          3HE       MET  49   0.150  -2.258  -0.056
  399    H    ARG  50           H        ARG  50  -0.909  -9.505  -2.366
  400    HA   ARG  50           HA       ARG  50   0.155 -10.286  -4.914
  401   1HB   ARG  50          1HB       ARG  50  -0.265 -11.726  -2.829
  402   2HB   ARG  50          2HB       ARG  50  -1.926 -11.906  -3.362
  403   1HG   ARG  50          1HG       ARG  50   0.344 -12.513  -5.294
  404   2HG   ARG  50          2HG       ARG  50  -0.025 -13.671  -4.025
  405   1HD   ARG  50          1HD       ARG  50  -2.182 -14.138  -4.843
  406   2HD   ARG  50          2HD       ARG  50  -2.237 -12.729  -5.881
  407    HE   ARG  50           HE       ARG  50  -0.905 -15.285  -6.381
  408   1HH1  ARG  50          2HH2      ARG  50  -1.299 -11.911  -7.555
  409   2HH1  ARG  50          1HH2      ARG  50  -0.810 -12.292  -9.156
  410   1HH2  ARG  50          2HH1      ARG  50  -0.230 -15.748  -8.542
  411   2HH2  ARG  50          1HH1      ARG  50  -0.172 -14.506  -9.720
  412    H    SER  51           H        SER  51  -3.047  -9.406  -3.897
  413    HA   SER  51           HA       SER  51  -4.502 -10.341  -6.176
  414   1HB   SER  51          1HB       SER  51  -5.302  -9.736  -3.812
  415   2HB   SER  51          2HB       SER  51  -5.302  -8.045  -4.330
  416    HG   SER  51           HG       SER  51  -6.848  -8.685  -5.910
  417    H    PHE  52           H        PHE  52  -3.181  -7.055  -5.353
  418    HA   PHE  52           HA       PHE  52  -3.540  -6.253  -8.198
  419   1HB   PHE  52          1HB       PHE  52  -4.245  -4.501  -5.821
  420   2HB   PHE  52          2HB       PHE  52  -4.604  -4.225  -7.518
  421    HD1  PHE  52           HD1      PHE  52  -6.083  -6.407  -8.543
  422    HD2  PHE  52           HD2      PHE  52  -6.129  -4.809  -4.532
  423    HE1  PHE  52           HE1      PHE  52  -8.395  -7.229  -8.236
  424    HE2  PHE  52           HE2      PHE  52  -8.456  -5.614  -4.245
  425    HZ   PHE  52           HZ       PHE  52  -9.593  -6.826  -6.094
  426    H    LEU  53           H        LEU  53  -1.077  -7.070  -7.416
  427    HA   LEU  53           HA       LEU  53   0.491  -5.413  -5.919
  428   1HB   LEU  53          1HB       LEU  53   1.019  -7.703  -7.062
  429   2HB   LEU  53          2HB       LEU  53   1.576  -6.764  -8.419
  430    HG   LEU  53           HG       LEU  53   3.470  -7.358  -7.151
  431   1HD1  LEU  53          3HD1      LEU  53   3.503  -4.936  -7.852
  432   2HD1  LEU  53          1HD1      LEU  53   3.008  -4.508  -6.190
  433   3HD1  LEU  53          2HD1      LEU  53   4.538  -5.327  -6.480
  434   1HD2  LEU  53          3HD2      LEU  53   2.339  -7.970  -5.056
  435   2HD2  LEU  53          1HD2      LEU  53   3.775  -6.973  -4.766
  436   3HD2  LEU  53          2HD2      LEU  53   2.162  -6.243  -4.647
  437    H    ARG  54           H        ARG  54   0.554  -5.203  -9.564
  438    HA   ARG  54           HA       ARG  54   2.071  -2.828  -9.368
  439   1HB   ARG  54          1HB       ARG  54   1.866  -4.387 -11.392
  440   2HB   ARG  54          2HB       ARG  54   0.417  -3.458 -11.841
  441   1HG   ARG  54          1HG       ARG  54   1.751  -1.374 -11.929
  442   2HG   ARG  54          2HG       ARG  54   3.114  -2.230 -11.203
  443   1HD   ARG  54          1HD       ARG  54   3.125  -3.680 -13.336
  444   2HD   ARG  54          2HD       ARG  54   2.090  -2.410 -14.031
  445    HE   ARG  54           HE       ARG  54   4.604  -1.595 -12.665
  446   1HH1  ARG  54          2HH2      ARG  54   3.016  -1.969 -15.827
  447   2HH1  ARG  54          1HH2      ARG  54   4.330  -1.242 -16.692
  448   1HH2  ARG  54          2HH1      ARG  54   6.308  -0.918 -13.769
  449   2HH2  ARG  54          1HH1      ARG  54   6.304  -0.520 -15.464
  450    H    ARG  55           H        ARG  55  -1.415  -3.108  -8.819
  451    HA   ARG  55           HA       ARG  55  -1.983  -0.458  -9.672
  452   1HB   ARG  55          1HB       ARG  55  -3.314  -2.405  -7.760
  453   2HB   ARG  55          2HB       ARG  55  -3.813  -0.773  -7.822
  454   1HG   ARG  55          1HG       ARG  55  -3.924  -2.645 -10.190
  455   2HG   ARG  55          2HG       ARG  55  -5.241  -2.419  -9.057
  456   1HD   ARG  55          1HD       ARG  55  -4.336   0.098 -10.365
  457   2HD   ARG  55          2HD       ARG  55  -4.968  -1.114 -11.464
  458    HE   ARG  55           HE       ARG  55  -6.936  -1.173  -9.697
  459   1HH1  ARG  55          2HH2      ARG  55  -5.464   1.819 -11.099
  460   2HH1  ARG  55          1HH2      ARG  55  -6.920   2.698 -10.762
  461   1HH2  ARG  55          2HH1      ARG  55  -8.885   0.237  -9.452
  462   2HH2  ARG  55          1HH1      ARG  55  -8.624   1.894  -9.778
  463    H    ILE  56           H        ILE  56  -0.943  -2.075  -6.556
  464    HA   ILE  56           HA       ILE  56  -1.073   0.361  -5.076
  465    HB   ILE  56           HB       ILE  56   0.615  -2.099  -4.491
  466   1HG1  ILE  56          1HG1      ILE  56  -1.525  -2.998  -4.544
  467   2HG1  ILE  56          2HG1      ILE  56  -1.382  -2.536  -2.869
  468   1HG2  ILE  56          2HG2      ILE  56  -0.315   0.212  -2.742
  469   2HG2  ILE  56          3HG2      ILE  56   0.402  -1.294  -2.117
  470   3HG2  ILE  56          1HG2      ILE  56   1.352  -0.229  -3.142
  471   1HD1  ILE  56          1HD1      ILE  56  -2.674  -0.388  -3.471
  472   2HD1  ILE  56          2HD1      ILE  56  -2.998  -1.139  -5.045
  473   3HD1  ILE  56          3HD1      ILE  56  -3.574  -1.922  -3.579
  474    H    SER  57           H        SER  57   1.468  -0.887  -7.218
  475    HA   SER  57           HA       SER  57   3.409   1.048  -6.354
  476   1HB   SER  57          1HB       SER  57   4.078  -0.960  -7.613
  477   2HB   SER  57          2HB       SER  57   2.987  -0.540  -8.944
  478    HG   SER  57           HG       SER  57   4.848   0.104  -9.660
  479    H    TRP  58           H        TRP  58   1.232   1.064  -9.275
  480    HA   TRP  58           HA       TRP  58   1.653   3.684 -10.112
  481   1HB   TRP  58          1HB       TRP  58   0.191   2.786 -11.578
  482   2HB   TRP  58          2HB       TRP  58  -0.537   1.733 -10.380
  483    HD1  TRP  58           HD1      TRP  58  -0.779   5.479 -11.384
  484    HE1  TRP  58           HE1      TRP  58  -3.016   6.395 -10.699
  485    HE3  TRP  58           HE3      TRP  58  -2.684   1.303  -9.258
  486    HZ2  TRP  58           HZ2      TRP  58  -5.440   5.361  -9.240
  487    HZ3  TRP  58           HZ3      TRP  58  -4.805   1.269  -8.154
  488    HH2  TRP  58           HH2      TRP  58  -6.180   3.280  -8.010
  489    H    ASP  59           H        ASP  59  -0.522   2.593  -7.536
  490    HA   ASP  59           HA       ASP  59  -1.728   5.014  -6.851
  491   1HB   ASP  59          1HB       ASP  59  -1.003   2.575  -5.166
  492   2HB   ASP  59          2HB       ASP  59  -1.733   3.962  -4.455
  493    HD2  ASP  59           HD2      ASP  59  -4.241   1.718  -6.223
  494    H    ILE  60           H        ILE  60   1.315   3.685  -5.363
  495    HA   ILE  60           HA       ILE  60   1.733   6.043  -3.785
  496    HB   ILE  60           HB       ILE  60   3.917   4.129  -4.655
  497   1HG1  ILE  60          1HG1      ILE  60   2.541   2.587  -3.633
  498   2HG1  ILE  60          2HG1      ILE  60   3.522   3.136  -2.307
  499   1HG2  ILE  60          2HG2      ILE  60   4.578   6.284  -3.559
  500   2HG2  ILE  60          3HG2      ILE  60   3.544   5.899  -2.183
  501   3HG2  ILE  60          1HG2      ILE  60   4.955   4.889  -2.552
  502   1HD1  ILE  60          2HD1      ILE  60   1.595   4.581  -1.580
  503   2HD1  ILE  60          3HD1      ILE  60   0.618   3.777  -2.845
  504   3HD1  ILE  60          1HD1      ILE  60   1.318   2.818  -1.538
  505    H    LEU  61           H        LEU  61   3.129   4.920  -6.898
  506    HA   LEU  61           HA       LEU  61   4.911   7.021  -7.338
  507   1HB   LEU  61          1HB       LEU  61   3.340   5.388  -9.365
  508   2HB   LEU  61          2HB       LEU  61   4.706   6.414  -9.777
  509    HG   LEU  61           HG       LEU  61   4.936   4.053  -7.863
  510   1HD1  LEU  61          1HD1      LEU  61   5.539   4.203 -10.850
  511   2HD1  LEU  61          2HD1      LEU  61   5.902   2.835  -9.776
  512   3HD1  LEU  61          3HD1      LEU  61   4.226   3.274 -10.087
  513   1HD2  LEU  61          3HD2      LEU  61   7.091   5.589  -9.365
  514   2HD2  LEU  61          1HD2      LEU  61   6.768   5.693  -7.620
  515   3HD2  LEU  61          2HD2      LEU  61   7.314   4.170  -8.322
  516    H    THR  62           H        THR  62   1.416   6.986  -8.055
  517    HA   THR  62           HA       THR  62   1.602   9.651  -9.326
  518    HB   THR  62           HB       THR  62  -0.887   9.425  -9.545
  519    HG1  THR  62           HG1      THR  62  -0.384   6.762  -8.679
  520   1HG2  THR  62          3HG2      THR  62   0.682   8.862 -11.357
  521   2HG2  THR  62          1HG2      THR  62   0.775   7.190 -10.773
  522   3HG2  THR  62          2HG2      THR  62  -0.765   7.848 -11.391
  523    H    GLY  63           H        GLY  63   2.044   8.874  -6.293
  524   1HA   GLY  63          1HA       GLY  63   1.579   9.580  -4.218
  525   2HA   GLY  63          2HA       GLY  63   1.659  11.186  -4.964
  526    H    LYS  64           H        LYS  64  -0.795   8.513  -5.185
  527    HA   LYS  64           HA       LYS  64  -2.854  10.639  -4.884
  528   1HB   LYS  64          1HB       LYS  64  -3.093   8.992  -6.652
  529   2HB   LYS  64          2HB       LYS  64  -2.978   7.647  -5.522
  530   1HG   LYS  64          1HG       LYS  64  -5.176   7.725  -5.009
  531   2HG   LYS  64          2HG       LYS  64  -5.175   9.475  -4.820
  532   1HD   LYS  64          1HD       LYS  64  -6.732   8.690  -6.544
  533   2HD   LYS  64          2HD       LYS  64  -5.538   9.844  -7.153
  534   1HE   LYS  64          1HE       LYS  64  -4.301   8.107  -8.285
  535   2HE   LYS  64          2HE       LYS  64  -5.234   6.827  -7.499
  536   1HZ   LYS  64          3HZ       LYS  64  -6.582   8.792  -9.247
  537   2HZ   LYS  64          1HZ       LYS  64  -5.891   7.422  -9.844
  538   3HZ   LYS  64          2HZ       LYS  64  -7.084   7.273  -8.802
  539    H    LYS  65           H        LYS  65  -4.160  10.714  -3.020
  540    HA   LYS  65           HA       LYS  65  -2.723   9.734  -0.694
  541   1HB   LYS  65          1HB       LYS  65  -5.344  11.265  -0.932
  542   2HB   LYS  65          2HB       LYS  65  -4.574  10.915   0.605
  543   1HG   LYS  65          1HG       LYS  65  -3.449  12.640  -1.649
  544   2HG   LYS  65          2HG       LYS  65  -3.994  13.144  -0.060
  545   1HD   LYS  65          1HD       LYS  65  -1.733  13.220   0.274
  546   2HD   LYS  65          2HD       LYS  65  -2.056  11.579   0.833
  547   1HE   LYS  65          1HE       LYS  65  -1.403  10.806  -1.553
  548   2HE   LYS  65          2HE       LYS  65  -0.894  12.454  -1.870
  549   1HZ   LYS  65          1HZ       LYS  65   0.206  10.730   0.308
  550   2HZ   LYS  65          2HZ       LYS  65   0.816  10.781  -1.108
  551   3HZ   LYS  65          3HZ       LYS  65   0.832  12.183  -0.224
  552    HA   PRO  66           HA       PRO  66  -4.176   5.864   0.169
  553   1HB   PRO  66          1HB       PRO  66  -4.876   5.870   2.878
  554   2HB   PRO  66          2HB       PRO  66  -3.222   5.757   2.231
  555   1HG   PRO  66          1HG       PRO  66  -4.690   8.252   3.113
  556   2HG   PRO  66          2HG       PRO  66  -3.008   7.747   3.506
  557   1HD   PRO  66          1HD       PRO  66  -3.365   9.509   1.587
  558   2HD   PRO  66          2HD       PRO  66  -2.284   8.124   1.247
  559    H    GLN  67           H        GLN  67  -6.493   8.135   1.748
  560    HA   GLN  67           HA       GLN  67  -8.704   6.407   1.739
  561   1HB   GLN  67          1HB       GLN  67  -8.386   8.738   2.841
  562   2HB   GLN  67          2HB       GLN  67  -8.807   9.418   1.271
  563   1HG   GLN  67          1HG       GLN  67 -10.790   9.423   2.567
  564   2HG   GLN  67          2HG       GLN  67 -10.999   8.116   1.400
  565   1HE2  GLN  67          2HE2      GLN  67 -12.151   6.744   4.618
  566   2HE2  GLN  67          1HE2      GLN  67 -12.708   7.890   3.409
  567    H    ALA  68           H        ALA  68  -7.332   8.389  -0.868
  568    HA   ALA  68           HA       ALA  68  -9.630   7.960  -2.649
  569   1HB   ALA  68          1HB       ALA  68  -8.369  10.075  -2.770
  570   2HB   ALA  68          2HB       ALA  68  -6.882   9.184  -3.173
  571   3HB   ALA  68          3HB       ALA  68  -8.256   9.177  -4.294
  572    H    ILE  69           H        ILE  69  -6.289   6.658  -2.208
  573    HA   ILE  69           HA       ILE  69  -6.219   4.962  -4.469
  574    HB   ILE  69           HB       ILE  69  -5.031   4.725  -1.663
  575   1HG1  ILE  69          1HG1      ILE  69  -3.708   5.329  -4.330
  576   2HG1  ILE  69          2HG1      ILE  69  -4.222   6.537  -3.215
  577   1HG2  ILE  69          3HG2      ILE  69  -4.883   2.748  -3.927
  578   2HG2  ILE  69          1HG2      ILE  69  -3.555   2.865  -2.762
  579   3HG2  ILE  69          2HG2      ILE  69  -5.175   2.461  -2.212
  580   1HD1  ILE  69          3HD1      ILE  69  -2.207   4.438  -2.328
  581   2HD1  ILE  69          1HD1      ILE  69  -1.749   5.900  -3.188
  582   3HD1  ILE  69          2HD1      ILE  69  -2.578   6.033  -1.637
  583    H    CYS  70           H        CYS  70  -7.439   4.228  -1.192
  584    HA   CYS  70           HA       CYS  70  -8.413   1.610  -1.720
  585   1HB   CYS  70          1HB       CYS  70  -9.353   3.700   0.293
  586   2HB   CYS  70          2HB       CYS  70  -9.666   1.959   0.381
  587    H    VAL  71           H        VAL  71 -10.058   4.796  -2.299
  588    HA   VAL  71           HA       VAL  71 -12.567   3.472  -2.994
  589    HB   VAL  71           HB       VAL  71 -11.497   6.267  -3.512
  590   1HG1  VAL  71          1HG1      VAL  71 -14.259   5.115  -4.153
  591   2HG1  VAL  71          2HG1      VAL  71 -13.840   6.842  -4.177
  592   3HG1  VAL  71          3HG1      VAL  71 -13.083   5.735  -5.323
  593   1HG2  VAL  71          2HG2      VAL  71 -12.122   5.661  -1.129
  594   2HG2  VAL  71          3HG2      VAL  71 -13.124   6.935  -1.828
  595   3HG2  VAL  71          1HG2      VAL  71 -13.762   5.289  -1.709
  596    H    ASP  72           H        ASP  72  -9.754   4.780  -4.923
  597    HA   ASP  72           HA       ASP  72 -10.765   4.256  -7.454
  598   1HB   ASP  72          1HB       ASP  72  -8.736   5.585  -6.743
  599   2HB   ASP  72          2HB       ASP  72  -7.850   4.078  -6.604
  600    H    ILE  73           H        ILE  73  -8.736   2.084  -5.455
  601    HA   ILE  73           HA       ILE  73  -9.024  -0.077  -7.438
  602    HB   ILE  73           HB       ILE  73  -7.529  -1.348  -6.127
  603   1HG1  ILE  73          1HG1      ILE  73  -8.015   0.711  -3.933
  604   2HG1  ILE  73          2HG1      ILE  73  -8.262  -1.015  -3.901
  605   1HG2  ILE  73          2HG2      ILE  73  -6.784   0.589  -7.554
  606   2HG2  ILE  73          3HG2      ILE  73  -6.510   1.501  -6.063
  607   3HG2  ILE  73          1HG2      ILE  73  -5.613  -0.014  -6.371
  608   1HD1  ILE  73          1HD1      ILE  73  -5.823  -1.368  -4.169
  609   2HD1  ILE  73          2HD1      ILE  73  -5.583   0.399  -4.072
  610   3HD1  ILE  73          3HD1      ILE  73  -6.241  -0.467  -2.679
  611    H    LYS  74           H        LYS  74 -11.025   1.060  -5.187
  612    HA   LYS  74           HA       LYS  74 -12.978   0.607  -4.421
  613   1HB   LYS  74          1HB       LYS  74 -13.282  -0.038  -6.798
  614   2HB   LYS  74          2HB       LYS  74 -13.109  -1.746  -6.306
  615   1HG   LYS  74          1HG       LYS  74 -14.916  -1.289  -4.579
  616   2HG   LYS  74          2HG       LYS  74 -15.132   0.281  -5.292
  617   1HD   LYS  74          1HD       LYS  74 -15.724  -2.410  -6.481
  618   2HD   LYS  74          2HD       LYS  74 -16.867  -1.133  -6.166
  619   1HE   LYS  74          1HE       LYS  74 -14.684  -1.008  -8.310
  620   2HE   LYS  74          2HE       LYS  74 -16.362  -1.500  -8.594
  621   1HZ   LYS  74          3HZ       LYS  74 -17.007   0.728  -7.706
  622   2HZ   LYS  74          1HZ       LYS  74 -15.536   1.193  -7.645
  623   3HZ   LYS  74          2HZ       LYS  74 -16.164   0.831  -9.135
  624    H    ILE  75           H        ILE  75 -11.811   0.257  -2.562
  625    HA   ILE  75           HA       ILE  75 -12.397  -2.331  -1.202
  626    HB   ILE  75           HB       ILE  75  -9.931  -0.547  -1.028
  627   1HG1  ILE  75          1HG1      ILE  75 -10.226  -3.482  -1.860
  628   2HG1  ILE  75          2HG1      ILE  75  -9.956  -2.130  -2.954
  629   1HG2  ILE  75          3HG2      ILE  75 -10.652  -2.973   0.652
  630   2HG2  ILE  75          1HG2      ILE  75  -9.048  -2.229   0.635
  631   3HG2  ILE  75          2HG2      ILE  75 -10.391  -1.291   1.224
  632   1HD1  ILE  75          1HD1      ILE  75  -7.836  -1.632  -1.561
  633   2HD1  ILE  75          2HD1      ILE  75  -8.021  -3.288  -0.946
  634   3HD1  ILE  75          3HD1      ILE  75  -7.815  -3.015  -2.685
  635    H    CYS  76           H        CYS  76 -12.697   1.164  -1.186
  636    HA   CYS  76           HA       CYS  76 -12.927   1.323   1.682
  637   1HB   CYS  76          1HB       CYS  76 -12.016   3.107   0.197
  638   2HB   CYS  76          2HB       CYS  76 -13.616   3.353  -0.468
  639    H    LYS  77           H        LYS  77 -15.359   3.112  -0.031
  640    HA   LYS  77           HA       LYS  77 -17.719   1.674   0.432
  641   1HB   LYS  77          1HB       LYS  77 -17.407   2.041   2.784
  642   2HB   LYS  77          2HB       LYS  77 -16.859   3.693   2.549
  643   1HG   LYS  77          1HG       LYS  77 -19.221   3.259   3.524
  644   2HG   LYS  77          2HG       LYS  77 -18.955   4.536   2.383
  645   1HD   LYS  77          1HD       LYS  77 -19.858   2.569   0.652
  646   2HD   LYS  77          2HD       LYS  77 -20.657   2.113   2.147
  647   1HE   LYS  77          1HE       LYS  77 -22.140   3.597   1.009
  648   2HE   LYS  77          2HE       LYS  77 -21.452   4.538   2.345
  649   1HZ   LYS  77          2HZ       LYS  77 -19.828   5.391   0.537
  650   2HZ   LYS  77          3HZ       LYS  77 -20.732   4.662  -0.533
  651   3HZ   LYS  77          1HZ       LYS  77 -21.404   5.855   0.307
  652    H    GLU  78           H        GLU  78 -17.398   2.342  -1.807
  653    HA   GLU  78           HA       GLU  78 -17.494   5.073  -2.659
  654   1HB   GLU  78          1HB       GLU  78 -18.892   2.738  -4.020
  655   2HB   GLU  78          2HB       GLU  78 -18.195   4.186  -4.743
  656   1HG   GLU  78          1HG       GLU  78 -15.890   3.232  -4.063
  657   2HG   GLU  78          2HG       GLU  78 -16.738   1.736  -3.659
   
  No H/Q in entry =         657
  Start of MODEL    8
    1   1H    GLY   1          3H        GLY   1 -16.819  -3.055   3.701
    2   2H    GLY   1          1H        GLY   1 -17.994  -2.684   4.783
    3   3H    GLY   1          2H        GLY   1 -17.775  -1.732   3.446
    4   1HA   GLY   1          1HA       GLY   1 -15.645  -1.046   4.171
    5   2HA   GLY   1          2HA       GLY   1 -16.854  -0.693   5.441
    6    H    TYR   2           H        TYR   2 -15.373  -0.889   7.277
    7    HA   TYR   2           HA       TYR   2 -13.716  -1.561   8.586
    8   1HB   TYR   2          1HB       TYR   2 -14.710  -3.623   9.163
    9   2HB   TYR   2          2HB       TYR   2 -14.369  -4.353   7.607
   10    HD1  TYR   2           HD2      TYR   2 -12.746  -3.184  10.779
   11    HD2  TYR   2           HD1      TYR   2 -12.299  -5.439   7.119
   12    HE1  TYR   2           HE2      TYR   2 -10.619  -4.102  11.607
   13    HE2  TYR   2           HE1      TYR   2 -10.155  -6.356   7.951
   14    HH   TYR   2           HH       TYR   2  -8.874  -5.578  11.190
   15    H    PHE   3           H        PHE   3 -13.433  -3.169   5.444
   16    HA   PHE   3           HA       PHE   3 -10.796  -3.126   4.887
   17   1HB   PHE   3          1HB       PHE   3 -13.208  -2.404   3.191
   18   2HB   PHE   3          2HB       PHE   3 -11.585  -2.494   2.540
   19    HD1  PHE   3           HD2      PHE   3 -10.224  -4.601   2.711
   20    HD2  PHE   3           HD1      PHE   3 -14.500  -4.409   3.279
   21    HE1  PHE   3           HE2      PHE   3 -10.429  -7.011   2.124
   22    HE2  PHE   3           HE1      PHE   3 -14.685  -6.812   2.728
   23    HZ   PHE   3           HZ       PHE   3 -12.659  -8.093   2.135
   24    H    CYS   4           H        CYS   4 -12.888  -0.131   4.689
   25    HA   CYS   4           HA       CYS   4 -11.038   1.361   3.292
   26   1HB   CYS   4          1HB       CYS   4 -13.411   2.084   3.882
   27   2HB   CYS   4          2HB       CYS   4 -12.793   2.588   5.458
   28    H    GLU   5           H        GLU   5 -11.329   1.545   6.928
   29    HA   GLU   5           HA       GLU   5  -8.997   3.136   7.207
   30   1HB   GLU   5          1HB       GLU   5 -10.579   3.069   8.995
   31   2HB   GLU   5          2HB       GLU   5 -10.446   1.319   9.149
   32   1HG   GLU   5          1HG       GLU   5  -9.272   2.530  10.961
   33   2HG   GLU   5          2HG       GLU   5  -8.223   1.458  10.052
   34    H    SER   6           H        SER   6  -9.464  -0.416   7.412
   35    HA   SER   6           HA       SER   6  -6.872  -1.214   7.985
   36   1HB   SER   6          1HB       SER   6  -8.820  -2.572   6.073
   37   2HB   SER   6          2HB       SER   6  -7.527  -3.332   7.010
   38    HG   SER   6           HG       SER   6 -10.010  -2.325   7.888
   39    H    CYS   7           H        CYS   7  -8.225  -0.621   4.725
   40    HA   CYS   7           HA       CYS   7  -5.907  -1.157   3.159
   41   1HB   CYS   7          1HB       CYS   7  -8.168  -1.174   2.268
   42   2HB   CYS   7          2HB       CYS   7  -8.423   0.500   2.711
   43    H    ARG   8           H        ARG   8  -7.380   1.901   4.361
   44    HA   ARG   8           HA       ARG   8  -5.431   3.644   3.311
   45   1HB   ARG   8          1HB       ARG   8  -7.515   4.513   4.024
   46   2HB   ARG   8          2HB       ARG   8  -7.385   3.819   5.630
   47   1HG   ARG   8          1HG       ARG   8  -5.202   5.745   4.994
   48   2HG   ARG   8          2HG       ARG   8  -6.822   6.446   4.955
   49   1HD   ARG   8          1HD       ARG   8  -7.308   5.776   7.166
   50   2HD   ARG   8          2HD       ARG   8  -5.887   4.724   7.281
   51    HE   ARG   8           HE       ARG   8  -4.755   7.179   6.834
   52   1HH1  ARG   8          2HH2      ARG   8  -7.110   5.987   9.241
   53   2HH1  ARG   8          1HH2      ARG   8  -6.744   7.218  10.389
   54   1HH2  ARG   8          2HH1      ARG   8  -4.112   8.608   8.334
   55   2HH2  ARG   8          1HH1      ARG   8  -4.926   8.817   9.858
   56    H    LYS   9           H        LYS   9  -5.494   1.921   6.505
   57    HA   LYS   9           HA       LYS   9  -3.108   3.054   7.472
   58   1HB   LYS   9          1HB       LYS   9  -4.892   1.782   8.745
   59   2HB   LYS   9          2HB       LYS   9  -4.344   0.304   7.982
   60   1HG   LYS   9          1HG       LYS   9  -3.485   0.474  10.222
   61   2HG   LYS   9          2HG       LYS   9  -2.169   0.479   9.047
   62   1HD   LYS   9          1HD       LYS   9  -1.823   2.086  10.951
   63   2HD   LYS   9          2HD       LYS   9  -1.773   2.836   9.360
   64   1HE   LYS   9          1HE       LYS   9  -3.054   4.282  10.831
   65   2HE   LYS   9          2HE       LYS   9  -4.130   3.580   9.620
   66   1HZ   LYS   9          1HZ       LYS   9  -4.636   1.873  11.412
   67   2HZ   LYS   9          2HZ       LYS   9  -4.078   3.024  12.485
   68   3HZ   LYS   9          3HZ       LYS   9  -5.327   3.312  11.420
   69    H    ILE  10           H        ILE  10  -3.687   0.080   5.540
   70    HA   ILE  10           HA       ILE  10  -0.997  -0.803   5.432
   71    HB   ILE  10           HB       ILE  10  -3.381  -1.282   3.638
   72   1HG1  ILE  10          1HG1      ILE  10  -1.849  -3.200   5.456
   73   2HG1  ILE  10          2HG1      ILE  10  -3.133  -2.189   6.083
   74   1HG2  ILE  10          1HG2      ILE  10  -0.622  -2.567   3.453
   75   2HG2  ILE  10          2HG2      ILE  10  -2.067  -3.159   2.611
   76   3HG2  ILE  10          3HG2      ILE  10  -1.405  -1.583   2.201
   77   1HD1  ILE  10          1HD1      ILE  10  -3.510  -4.211   3.848
   78   2HD1  ILE  10          2HD1      ILE  10  -3.959  -4.435   5.534
   79   3HD1  ILE  10          3HD1      ILE  10  -4.770  -3.188   4.563
   80    H    ILE  11           H        ILE  11  -2.778   1.373   3.116
   81    HA   ILE  11           HA       ILE  11  -0.399   1.891   1.589
   82    HB   ILE  11           HB       ILE  11  -2.976   3.466   1.898
   83   1HG1  ILE  11          1HG1      ILE  11  -3.439   1.454   0.671
   84   2HG1  ILE  11          2HG1      ILE  11  -3.379   2.777  -0.480
   85   1HG2  ILE  11          3HG2      ILE  11  -0.671   4.029  -0.017
   86   2HG2  ILE  11          1HG2      ILE  11  -2.279   4.774  -0.070
   87   3HG2  ILE  11          2HG2      ILE  11  -1.225   5.078   1.291
   88   1HD1  ILE  11          2HD1      ILE  11  -1.121   2.057  -1.198
   89   2HD1  ILE  11          3HD1      ILE  11  -1.207   0.687  -0.060
   90   3HD1  ILE  11          1HD1      ILE  11  -2.349   0.802  -1.404
   91    H    GLN  12           H        GLN  12  -1.794   3.671   4.421
   92    HA   GLN  12           HA       GLN  12  -0.050   5.852   4.266
   93   1HB   GLN  12          1HB       GLN  12  -1.371   4.548   6.673
   94   2HB   GLN  12          2HB       GLN  12  -0.454   6.047   6.789
   95   1HG   GLN  12          1HG       GLN  12  -2.476   6.085   4.619
   96   2HG   GLN  12          2HG       GLN  12  -3.146   5.825   6.225
   97   1HE2  GLN  12          2HE2      GLN  12  -1.196   9.424   5.550
   98   2HE2  GLN  12          1HE2      GLN  12  -0.796   8.101   4.504
   99    H    LYS  13           H        LYS  13   0.511   2.739   6.012
  100    HA   LYS  13           HA       LYS  13   3.110   3.701   6.888
  101   1HB   LYS  13          1HB       LYS  13   1.816   2.010   8.148
  102   2HB   LYS  13          2HB       LYS  13   2.124   0.845   6.863
  103   1HG   LYS  13          1HG       LYS  13   3.571   0.655   8.928
  104   2HG   LYS  13          2HG       LYS  13   4.407   0.683   7.391
  105   1HD   LYS  13          1HD       LYS  13   5.639   1.925   9.067
  106   2HD   LYS  13          2HD       LYS  13   5.151   2.967   7.746
  107   1HE   LYS  13          1HE       LYS  13   3.406   3.983   9.068
  108   2HE   LYS  13          2HE       LYS  13   3.744   2.910  10.446
  109   1HZ   LYS  13          1HZ       LYS  13   5.891   4.552   9.292
  110   2HZ   LYS  13          2HZ       LYS  13   4.859   5.343  10.090
  111   3HZ   LYS  13          3HZ       LYS  13   5.713   4.137  10.883
  112    H    LEU  14           H        LEU  14   1.952   2.304   3.888
  113    HA   LEU  14           HA       LEU  14   4.549   1.472   2.903
  114   1HB   LEU  14          1HB       LEU  14   2.124   0.981   1.888
  115   2HB   LEU  14          2HB       LEU  14   2.309   2.541   1.136
  116    HG   LEU  14           HG       LEU  14   2.979   1.132  -0.522
  117   1HD1  LEU  14          1HD1      LEU  14   4.763   2.817  -0.207
  118   2HD1  LEU  14          2HD1      LEU  14   5.656   1.674   0.823
  119   3HD1  LEU  14          3HD1      LEU  14   5.396   1.300  -0.868
  120   1HD2  LEU  14          2HD2      LEU  14   4.518  -0.502   1.507
  121   2HD2  LEU  14          3HD2      LEU  14   2.987  -0.939   0.682
  122   3HD2  LEU  14          1HD2      LEU  14   4.485  -0.784  -0.244
  123    H    GLU  15           H        GLU  15   2.471   4.294   2.428
  124    HA   GLU  15           HA       GLU  15   4.072   5.953   0.926
  125   1HB   GLU  15          1HB       GLU  15   1.592   5.968   1.335
  126   2HB   GLU  15          2HB       GLU  15   1.868   6.396   3.012
  127   1HG   GLU  15          1HG       GLU  15   2.657   8.640   2.274
  128   2HG   GLU  15          2HG       GLU  15   2.269   8.176   0.607
  129    H    ASP  16           H        ASP  16   3.654   6.003   4.456
  130    HA   ASP  16           HA       ASP  16   5.588   7.923   5.151
  131   1HB   ASP  16          1HB       ASP  16   3.954   7.123   6.736
  132   2HB   ASP  16          2HB       ASP  16   4.333   5.444   6.383
  133    H    MET  17           H        MET  17   6.138   4.388   4.605
  134    HA   MET  17           HA       MET  17   8.925   4.765   5.450
  135   1HB   MET  17          1HB       MET  17   7.448   2.348   4.327
  136   2HB   MET  17          2HB       MET  17   9.190   2.373   4.659
  137   1HG   MET  17          1HG       MET  17   8.638   3.149   7.010
  138   2HG   MET  17          2HG       MET  17   6.962   2.778   6.658
  139   1HE   MET  17          3HE       MET  17   6.143   0.305   6.011
  140   2HE   MET  17          1HE       MET  17   7.469  -0.108   4.897
  141   3HE   MET  17          2HE       MET  17   7.097  -1.176   6.270
  142    H    VAL  18           H        VAL  18   7.198   4.314   2.298
  143    HA   VAL  18           HA       VAL  18   9.677   3.997   0.845
  144    HB   VAL  18           HB       VAL  18   7.265   3.227   0.327
  145   1HG1  VAL  18          3HG1      VAL  18   6.221   5.459   0.424
  146   2HG1  VAL  18          1HG1      VAL  18   7.046   5.873  -1.083
  147   3HG1  VAL  18          2HG1      VAL  18   5.873   4.552  -1.055
  148   1HG2  VAL  18          1HG2      VAL  18   9.327   4.027  -1.641
  149   2HG2  VAL  18          2HG2      VAL  18   8.807   2.445  -1.060
  150   3HG2  VAL  18          3HG2      VAL  18   7.764   3.334  -2.172
  151    H    GLY  19           H        GLY  19   7.686   6.670   1.950
  152   1HA   GLY  19          1HA       GLY  19   8.184   8.799   2.286
  153   2HA   GLY  19          2HA       GLY  19   9.757   8.613   1.486
  154    HA   PRO  20           HA       PRO  20   6.602  10.808  -1.151
  155   1HB   PRO  20          1HB       PRO  20   7.615  13.362  -1.313
  156   2HB   PRO  20          2HB       PRO  20   6.753  12.767   0.139
  157   1HG   PRO  20          1HG       PRO  20   9.757  12.803  -0.352
  158   2HG   PRO  20          2HG       PRO  20   8.868  13.456   1.063
  159   1HD   PRO  20          1HD       PRO  20   9.983  10.964   1.086
  160   2HD   PRO  20          2HD       PRO  20   8.421  11.290   1.898
  161    H    GLN  21           H        GLN  21   9.543   9.780  -1.843
  162    HA   GLN  21           HA       GLN  21   9.305  10.405  -4.733
  163   1HB   GLN  21          1HB       GLN  21  11.803  11.098  -3.140
  164   2HB   GLN  21          2HB       GLN  21  11.767  10.962  -4.896
  165   1HG   GLN  21          1HG       GLN  21  10.091  12.971  -3.330
  166   2HG   GLN  21          2HG       GLN  21  11.666  13.294  -4.034
  167   1HE2  GLN  21          2HE2      GLN  21   8.436  13.110  -6.536
  168   2HE2  GLN  21          1HE2      GLN  21   8.256  12.547  -4.865
  169    HA   PRO  22           HA       PRO  22  10.804   6.144  -3.844
  170   1HB   PRO  22          1HB       PRO  22   8.627   4.643  -4.016
  171   2HB   PRO  22          2HB       PRO  22   8.775   5.849  -2.685
  172   1HG   PRO  22          1HG       PRO  22   7.305   6.180  -5.307
  173   2HG   PRO  22          2HG       PRO  22   6.696   6.433  -3.630
  174   1HD   PRO  22          1HD       PRO  22   7.769   8.478  -5.190
  175   2HD   PRO  22          2HD       PRO  22   7.778   8.444  -3.400
  176    H    ASN  23           H        ASN  23  10.600   4.082  -5.254
  177    HA   ASN  23           HA       ASN  23   9.873   4.479  -8.074
  178   1HB   ASN  23          1HB       ASN  23  11.913   3.389  -8.838
  179   2HB   ASN  23          2HB       ASN  23  12.328   4.844  -7.930
  180   1HD2  ASN  23          2HD2      ASN  23  13.924   1.408  -6.663
  181   2HD2  ASN  23          1HD2      ASN  23  13.279   1.587  -8.281
  182    H    GLU  24           H        GLU  24   9.333   2.423  -9.043
  183    HA   GLU  24           HA       GLU  24   7.571   0.886  -7.736
  184   1HB   GLU  24          1HB       GLU  24   7.717   0.969 -10.097
  185   2HB   GLU  24          2HB       GLU  24   9.304   0.209 -10.126
  186   1HG   GLU  24          1HG       GLU  24   8.458  -1.925  -9.809
  187   2HG   GLU  24          2HG       GLU  24   7.095  -1.369  -8.839
  188    H    ASP  25           H        ASP  25  11.064  -0.037  -7.827
  189    HA   ASP  25           HA       ASP  25  10.578  -2.614  -6.619
  190   1HB   ASP  25          1HB       ASP  25  12.717  -2.258  -7.703
  191   2HB   ASP  25          2HB       ASP  25  13.109  -0.937  -6.581
  192    H    THR  26           H        THR  26  11.757   0.518  -5.218
  193    HA   THR  26           HA       THR  26  11.726  -0.248  -2.597
  194    HB   THR  26           HB       THR  26  11.038   2.548  -3.614
  195    HG1  THR  26           HG1      THR  26  13.039   2.550  -4.359
  196   1HG2  THR  26          2HG2      THR  26  11.025   2.213  -1.093
  197   2HG2  THR  26          3HG2      THR  26  12.676   1.588  -1.203
  198   3HG2  THR  26          1HG2      THR  26  12.333   3.272  -1.647
  199    H    VAL  27           H        VAL  27   8.925   0.777  -4.560
  200    HA   VAL  27           HA       VAL  27   7.097   0.869  -2.324
  201    HB   VAL  27           HB       VAL  27   6.328   0.073  -5.168
  202   1HG1  VAL  27          3HG1      VAL  27   4.567  -0.216  -3.447
  203   2HG1  VAL  27          1HG1      VAL  27   4.794   1.474  -2.939
  204   3HG1  VAL  27          2HG1      VAL  27   4.151   1.116  -4.524
  205   1HG2  VAL  27          1HG2      VAL  27   6.750   2.882  -4.104
  206   2HG2  VAL  27          2HG2      VAL  27   7.494   2.123  -5.510
  207   3HG2  VAL  27          3HG2      VAL  27   5.784   2.501  -5.551
  208    H    THR  28           H        THR  28   8.096  -1.736  -4.557
  209    HA   THR  28           HA       THR  28   6.319  -3.737  -3.592
  210    HB   THR  28           HB       THR  28   8.952  -3.918  -5.132
  211    HG1  THR  28           HG1      THR  28   7.592  -2.758  -6.326
  212   1HG2  THR  28          3HG2      THR  28   6.688  -5.921  -4.793
  213   2HG2  THR  28          1HG2      THR  28   8.003  -6.041  -5.993
  214   3HG2  THR  28          2HG2      THR  28   8.380  -6.113  -4.268
  215    H    GLN  29           H        GLN  29   9.843  -3.134  -2.846
  216    HA   GLN  29           HA       GLN  29   9.857  -5.253  -0.896
  217   1HB   GLN  29          1HB       GLN  29  11.986  -4.277  -0.107
  218   2HB   GLN  29          2HB       GLN  29  11.951  -4.734  -1.808
  219   1HG   GLN  29          1HG       GLN  29  11.993  -2.534  -2.561
  220   2HG   GLN  29          2HG       GLN  29  11.486  -1.863  -0.998
  221   1HE2  GLN  29          2HE2      GLN  29  15.412  -2.202  -1.777
  222   2HE2  GLN  29          1HE2      GLN  29  14.188  -2.420  -3.018
  223    H    ALA  30           H        ALA  30   9.293  -1.662  -0.610
  224    HA   ALA  30           HA       ALA  30   9.097  -1.613   2.195
  225   1HB   ALA  30          1HB       ALA  30   7.533   0.045   0.174
  226   2HB   ALA  30          2HB       ALA  30   7.667   0.382   1.911
  227   3HB   ALA  30          3HB       ALA  30   9.111   0.459   0.893
  228    H    ALA  31           H        ALA  31   6.623  -2.489  -0.274
  229    HA   ALA  31           HA       ALA  31   4.501  -2.919   1.521
  230   1HB   ALA  31          3HB       ALA  31   4.215  -2.893  -0.976
  231   2HB   ALA  31          1HB       ALA  31   5.038  -4.455  -1.083
  232   3HB   ALA  31          2HB       ALA  31   3.496  -4.332  -0.234
  233    H    SER  32           H        SER  32   7.076  -5.268   0.457
  234    HA   SER  32           HA       SER  32   5.944  -7.506   1.820
  235   1HB   SER  32          1HB       SER  32   8.080  -8.541   1.622
  236   2HB   SER  32          2HB       SER  32   7.965  -7.474   0.213
  237    HG   SER  32           HG       SER  32   9.278  -5.950   1.390
  238    H    GLN  33           H        GLN  33   7.810  -4.838   3.080
  239    HA   GLN  33           HA       GLN  33   7.718  -5.771   5.834
  240   1HB   GLN  33          1HB       GLN  33   8.831  -3.381   4.350
  241   2HB   GLN  33          2HB       GLN  33   8.628  -3.268   6.082
  242   1HG   GLN  33          1HG       GLN  33  10.165  -5.539   4.716
  243   2HG   GLN  33          2HG       GLN  33  10.918  -4.041   5.301
  244   1HE2  GLN  33          2HE2      GLN  33  10.267  -6.902   8.022
  245   2HE2  GLN  33          1HE2      GLN  33  10.453  -7.170   6.297
  246    H    VAL  34           H        VAL  34   5.803  -3.467   3.852
  247    HA   VAL  34           HA       VAL  34   4.762  -2.015   5.987
  248    HB   VAL  34           HB       VAL  34   4.468  -1.720   3.427
  249   1HG1  VAL  34          2HG1      VAL  34   2.994  -3.761   2.943
  250   2HG1  VAL  34          3HG1      VAL  34   1.744  -2.918   3.848
  251   3HG1  VAL  34          1HG1      VAL  34   2.388  -2.209   2.379
  252   1HG2  VAL  34          3HG2      VAL  34   3.802  -0.133   5.003
  253   2HG2  VAL  34          1HG2      VAL  34   2.613  -0.282   3.694
  254   3HG2  VAL  34          2HG2      VAL  34   2.243  -0.995   5.282
  255    H    CYS  35           H        CYS  35   3.750  -5.010   4.487
  256    HA   CYS  35           HA       CYS  35   1.516  -5.572   6.176
  257   1HB   CYS  35          1HB       CYS  35   3.313  -7.564   4.784
  258   2HB   CYS  35          2HB       CYS  35   1.641  -7.786   5.297
  259    H    ASP  36           H        ASP  36   4.996  -6.911   6.267
  260    HA   ASP  36           HA       ASP  36   4.358  -8.362   8.629
  261   1HB   ASP  36          1HB       ASP  36   6.431  -8.864   7.409
  262   2HB   ASP  36          2HB       ASP  36   7.144  -7.365   8.075
  263    H    LYS  37           H        LYS  37   5.465  -5.024   8.313
  264    HA   LYS  37           HA       LYS  37   5.935  -4.678  11.110
  265   1HB   LYS  37          1HB       LYS  37   6.958  -3.436   9.183
  266   2HB   LYS  37          2HB       LYS  37   5.414  -2.609   8.918
  267   1HG   LYS  37          1HG       LYS  37   5.596  -1.549  11.112
  268   2HG   LYS  37          2HG       LYS  37   7.083  -2.440  11.470
  269   1HD   LYS  37          1HD       LYS  37   6.835  -0.572   9.059
  270   2HD   LYS  37          2HD       LYS  37   7.260  -0.006  10.661
  271   1HE   LYS  37          1HE       LYS  37   9.339  -0.213   9.792
  272   2HE   LYS  37          2HE       LYS  37   9.168  -1.755  10.622
  273   1HZ   LYS  37          1HZ       LYS  37   8.840  -1.341   7.723
  274   2HZ   LYS  37          2HZ       LYS  37  10.171  -1.939   8.447
  275   3HZ   LYS  37          3HZ       LYS  37   8.835  -2.828   8.493
  276    H    LEU  38           H        LEU  38   3.100  -3.934   8.955
  277    HA   LEU  38           HA       LEU  38   1.499  -3.113  11.309
  278   1HB   LEU  38          1HB       LEU  38   0.754  -3.652   8.398
  279   2HB   LEU  38          2HB       LEU  38  -0.385  -3.164   9.642
  280    HG   LEU  38           HG       LEU  38   1.987  -1.456   8.771
  281   1HD1  LEU  38          3HD1      LEU  38  -0.957  -1.399   7.967
  282   2HD1  LEU  38          1HD1      LEU  38   0.224  -0.134   7.585
  283   3HD1  LEU  38          2HD1      LEU  38   0.440  -1.762   6.929
  284   1HD2  LEU  38          2HD2      LEU  38  -0.460  -0.829  10.491
  285   2HD2  LEU  38          3HD2      LEU  38   1.228  -0.895  11.042
  286   3HD2  LEU  38          1HD2      LEU  38   0.726   0.364   9.911
  287    H    LYS  39           H        LYS  39   2.105  -5.116  12.455
  288    HA   LYS  39           HA       LYS  39   1.278  -7.587  11.217
  289   1HB   LYS  39          1HB       LYS  39   2.005  -8.709  13.334
  290   2HB   LYS  39          2HB       LYS  39   3.179  -7.886  12.353
  291   1HG   LYS  39          1HG       LYS  39   2.914  -5.894  14.044
  292   2HG   LYS  39          2HG       LYS  39   2.121  -7.097  15.063
  293   1HD   LYS  39          1HD       LYS  39   4.389  -7.001  15.720
  294   2HD   LYS  39          2HD       LYS  39   4.236  -8.523  14.866
  295   1HE   LYS  39          1HE       LYS  39   5.238  -6.023  13.426
  296   2HE   LYS  39          2HE       LYS  39   6.309  -6.887  14.529
  297   1HZ   LYS  39          2HZ       LYS  39   5.944  -8.901  13.114
  298   2HZ   LYS  39          3HZ       LYS  39   5.160  -7.917  12.024
  299   3HZ   LYS  39          1HZ       LYS  39   6.688  -7.704  12.307
  300    H    ILE  40           H        ILE  40  -0.186  -9.154  12.312
  301    HA   ILE  40           HA       ILE  40  -2.280  -9.807  12.871
  302    HB   ILE  40           HB       ILE  40  -2.902  -6.970  13.832
  303   1HG1  ILE  40          1HG1      ILE  40  -2.318  -9.506  15.437
  304   2HG1  ILE  40          2HG1      ILE  40  -1.139  -8.223  15.161
  305   1HG2  ILE  40          3HG2      ILE  40  -4.913  -8.162  13.051
  306   2HG2  ILE  40          1HG2      ILE  40  -4.521  -9.529  14.113
  307   3HG2  ILE  40          2HG2      ILE  40  -4.927  -7.936  14.786
  308   1HD1  ILE  40          3HD1      ILE  40  -2.651  -6.592  16.295
  309   2HD1  ILE  40          1HD1      ILE  40  -3.732  -7.944  16.717
  310   3HD1  ILE  40          2HD1      ILE  40  -2.077  -7.907  17.340
  311    H    LEU  41           H        LEU  41  -2.191  -6.491  11.459
  312    HA   LEU  41           HA       LEU  41  -4.173  -7.105   9.410
  313   1HB   LEU  41          1HB       LEU  41  -3.851  -4.939  10.595
  314   2HB   LEU  41          2HB       LEU  41  -2.226  -4.808   9.936
  315    HG   LEU  41           HG       LEU  41  -3.119  -4.461   7.686
  316   1HD1  LEU  41          2HD1      LEU  41  -5.226  -5.798   7.875
  317   2HD1  LEU  41          3HD1      LEU  41  -5.884  -4.592   8.995
  318   3HD1  LEU  41          1HD1      LEU  41  -5.526  -4.151   7.311
  319   1HD2  LEU  41          3HD2      LEU  41  -4.408  -2.694   9.812
  320   2HD2  LEU  41          1HD2      LEU  41  -2.770  -2.522   9.146
  321   3HD2  LEU  41          2HD2      LEU  41  -4.183  -2.255   8.110
  322    H    ARG  42           H        ARG  42  -1.101  -8.078   9.742
  323    HA   ARG  42           HA       ARG  42   0.258  -7.837   7.343
  324   1HB   ARG  42          1HB       ARG  42   1.133  -8.787   9.447
  325   2HB   ARG  42          2HB       ARG  42   0.150 -10.238   9.246
  326   1HG   ARG  42          1HG       ARG  42   1.482 -10.914   7.302
  327   2HG   ARG  42          2HG       ARG  42   2.297  -9.350   7.286
  328   1HD   ARG  42          1HD       ARG  42   3.878 -10.767   8.255
  329   2HD   ARG  42          2HD       ARG  42   3.194  -9.903   9.630
  330    HE   ARG  42           HE       ARG  42   1.724 -12.276   9.380
  331   1HH1  ARG  42          2HH2      ARG  42   5.152 -11.377  10.048
  332   2HH1  ARG  42          1HH2      ARG  42   5.515 -12.852  10.825
  333   1HH2  ARG  42          2HH1      ARG  42   2.251 -14.261  10.522
  334   2HH2  ARG  42          1HH1      ARG  42   3.837 -14.477  11.139
  335    H    GLY  43           H        GLY  43  -2.332 -10.108   8.207
  336   1HA   GLY  43          1HA       GLY  43  -2.175 -11.863   5.974
  337   2HA   GLY  43          2HA       GLY  43  -3.594 -11.596   6.999
  338    H    LEU  44           H        LEU  44  -4.483  -9.140   6.583
  339    HA   LEU  44           HA       LEU  44  -5.712  -9.320   4.044
  340   1HB   LEU  44          1HB       LEU  44  -6.785  -8.179   5.916
  341   2HB   LEU  44          2HB       LEU  44  -5.491  -6.975   5.962
  342    HG   LEU  44           HG       LEU  44  -6.152  -6.087   3.785
  343   1HD1  LEU  44          2HD1      LEU  44  -8.422  -8.131   3.820
  344   2HD1  LEU  44          3HD1      LEU  44  -8.217  -6.799   2.658
  345   3HD1  LEU  44          1HD1      LEU  44  -7.053  -8.116   2.677
  346   1HD2  LEU  44          1HD2      LEU  44  -7.249  -5.223   5.832
  347   2HD2  LEU  44          2HD2      LEU  44  -8.302  -5.104   4.413
  348   3HD2  LEU  44          3HD2      LEU  44  -8.572  -6.383   5.616
  349    H    CYS  45           H        CYS  45  -3.004  -7.188   5.180
  350    HA   CYS  45           HA       CYS  45  -2.455  -5.861   2.866
  351   1HB   CYS  45          1HB       CYS  45  -1.447  -5.520   5.057
  352   2HB   CYS  45          2HB       CYS  45  -0.535  -7.015   4.906
  353    H    LYS  46           H        LYS  46  -0.965  -9.134   3.606
  354    HA   LYS  46           HA       LYS  46   0.169  -9.252   0.971
  355   1HB   LYS  46          1HB       LYS  46  -0.409 -11.469   2.943
  356   2HB   LYS  46          2HB       LYS  46   0.053 -11.816   1.284
  357   1HG   LYS  46          1HG       LYS  46   2.067 -11.924   2.366
  358   2HG   LYS  46          2HG       LYS  46   2.092 -10.326   1.619
  359   1HD   LYS  46          1HD       LYS  46   1.498  -9.356   3.836
  360   2HD   LYS  46          2HD       LYS  46   1.531 -10.962   4.537
  361   1HE   LYS  46          1HE       LYS  46   3.625  -9.864   5.063
  362   2HE   LYS  46          2HE       LYS  46   3.931 -11.219   3.982
  363   1HZ   LYS  46          2HZ       LYS  46   3.765  -8.420   3.018
  364   2HZ   LYS  46          3HZ       LYS  46   5.161  -9.108   3.503
  365   3HZ   LYS  46          1HZ       LYS  46   4.351  -9.731   2.213
  366    H    LYS  47           H        LYS  47  -3.167 -10.198   2.007
  367    HA   LYS  47           HA       LYS  47  -3.639 -11.359  -0.588
  368   1HB   LYS  47          1HB       LYS  47  -5.095 -11.718   1.494
  369   2HB   LYS  47          2HB       LYS  47  -5.879 -10.172   1.093
  370   1HG   LYS  47          1HG       LYS  47  -6.474 -11.056  -1.158
  371   2HG   LYS  47          2HG       LYS  47  -5.529 -12.506  -0.847
  372   1HD   LYS  47          1HD       LYS  47  -7.634 -13.289  -0.597
  373   2HD   LYS  47          2HD       LYS  47  -7.192 -12.988   1.086
  374   1HE   LYS  47          1HE       LYS  47  -8.529 -10.946   1.121
  375   2HE   LYS  47          2HE       LYS  47  -8.722 -10.985  -0.640
  376   1HZ   LYS  47          2HZ       LYS  47  -9.877 -12.984   1.215
  377   2HZ   LYS  47          3HZ       LYS  47 -10.705 -11.779   0.464
  378   3HZ   LYS  47          1HZ       LYS  47 -10.041 -12.983  -0.420
  379    H    ILE  48           H        ILE  48  -4.043  -8.004   0.628
  380    HA   ILE  48           HA       ILE  48  -5.172  -6.936  -1.759
  381    HB   ILE  48           HB       ILE  48  -3.558  -5.712   0.502
  382   1HG1  ILE  48          1HG1      ILE  48  -6.468  -5.431  -0.404
  383   2HG1  ILE  48          2HG1      ILE  48  -5.915  -6.485   0.892
  384   1HG2  ILE  48          3HG2      ILE  48  -3.031  -4.366  -1.521
  385   2HG2  ILE  48          1HG2      ILE  48  -4.766  -4.189  -1.853
  386   3HG2  ILE  48          2HG2      ILE  48  -4.034  -3.467  -0.405
  387   1HD1  ILE  48          1HD1      ILE  48  -5.085  -4.458   2.130
  388   2HD1  ILE  48          2HD1      ILE  48  -5.871  -3.445   0.894
  389   3HD1  ILE  48          3HD1      ILE  48  -6.844  -4.525   1.896
  390    H    MET  49           H        MET  49  -1.691  -7.355  -0.808
  391    HA   MET  49           HA       MET  49  -0.683  -6.303  -3.268
  392   1HB   MET  49          1HB       MET  49   0.603  -8.420  -1.500
  393   2HB   MET  49          2HB       MET  49   1.397  -7.468  -2.758
  394   1HG   MET  49          1HG       MET  49   0.235  -6.466  -0.147
  395   2HG   MET  49          2HG       MET  49   1.923  -6.489  -0.618
  396   1HE   MET  49          1HE       MET  49   1.375  -3.969   0.640
  397   2HE   MET  49          2HE       MET  49   0.458  -2.700  -0.199
  398   3HE   MET  49          3HE       MET  49  -0.390  -4.112   0.464
  399    H    ARG  50           H        ARG  50  -1.475  -9.767  -2.462
  400    HA   ARG  50           HA       ARG  50  -0.760 -10.823  -4.988
  401   1HB   ARG  50          1HB       ARG  50  -1.431 -12.162  -3.021
  402   2HB   ARG  50          2HB       ARG  50  -3.074 -11.601  -3.157
  403   1HG   ARG  50          1HG       ARG  50  -2.824 -13.886  -3.944
  404   2HG   ARG  50          2HG       ARG  50  -3.465 -12.838  -5.190
  405   1HD   ARG  50          1HD       ARG  50  -0.494 -13.485  -5.130
  406   2HD   ARG  50          2HD       ARG  50  -1.668 -14.664  -5.739
  407    HE   ARG  50           HE       ARG  50  -1.898 -11.968  -6.853
  408   1HH1  ARG  50          2HH2      ARG  50  -0.530 -15.202  -7.448
  409   2HH1  ARG  50          1HH2      ARG  50  -0.521 -15.018  -9.160
  410   1HH2  ARG  50          2HH1      ARG  50  -1.902 -11.726  -9.051
  411   2HH2  ARG  50          1HH1      ARG  50  -1.318 -12.957 -10.111
  412    H    SER  51           H        SER  51  -3.784  -9.354  -3.955
  413    HA   SER  51           HA       SER  51  -5.170  -9.739  -6.437
  414   1HB   SER  51          1HB       SER  51  -6.066  -9.391  -4.051
  415   2HB   SER  51          2HB       SER  51  -5.796  -7.662  -4.300
  416    HG   SER  51           HG       SER  51  -7.276  -7.775  -6.033
  417    H    PHE  52           H        PHE  52  -3.302  -6.891  -5.165
  418    HA   PHE  52           HA       PHE  52  -3.624  -5.608  -7.848
  419   1HB   PHE  52          1HB       PHE  52  -3.986  -4.302  -5.121
  420   2HB   PHE  52          2HB       PHE  52  -4.267  -3.542  -6.665
  421    HD1  PHE  52           HD2      PHE  52  -6.059  -4.909  -8.236
  422    HD2  PHE  52           HD1      PHE  52  -5.914  -4.833  -3.924
  423    HE1  PHE  52           HE2      PHE  52  -8.492  -5.373  -8.139
  424    HE2  PHE  52           HE1      PHE  52  -8.356  -5.301  -3.846
  425    HZ   PHE  52           HZ       PHE  52  -9.643  -5.550  -5.949
  426    H    LEU  53           H        LEU  53  -1.048  -6.827  -6.650
  427    HA   LEU  53           HA       LEU  53   0.491  -4.905  -5.497
  428   1HB   LEU  53          1HB       LEU  53   1.241  -7.210  -5.717
  429   2HB   LEU  53          2HB       LEU  53   1.524  -6.993  -7.443
  430    HG   LEU  53           HG       LEU  53   3.364  -5.460  -6.989
  431   1HD1  LEU  53          2HD1      LEU  53   2.649  -5.731  -4.021
  432   2HD1  LEU  53          3HD1      LEU  53   4.143  -5.007  -4.658
  433   3HD1  LEU  53          1HD1      LEU  53   2.603  -4.239  -4.989
  434   1HD2  LEU  53          2HD2      LEU  53   3.748  -7.918  -6.878
  435   2HD2  LEU  53          3HD2      LEU  53   4.860  -7.023  -5.836
  436   3HD2  LEU  53          1HD2      LEU  53   3.475  -7.876  -5.120
  437    H    ARG  54           H        ARG  54   0.631  -5.400  -9.107
  438    HA   ARG  54           HA       ARG  54   2.323  -3.149  -9.492
  439   1HB   ARG  54          1HB       ARG  54   1.628  -5.041 -11.186
  440   2HB   ARG  54          2HB       ARG  54   0.264  -3.988 -11.553
  441   1HG   ARG  54          1HG       ARG  54   1.818  -3.351 -13.180
  442   2HG   ARG  54          2HG       ARG  54   2.118  -2.129 -11.936
  443   1HD   ARG  54          1HD       ARG  54   3.945  -3.673 -11.031
  444   2HD   ARG  54          2HD       ARG  54   3.713  -4.697 -12.448
  445    HE   ARG  54           HE       ARG  54   5.048  -2.127 -12.182
  446   1HH1  ARG  54          2HH2      ARG  54   3.706  -4.304 -14.651
  447   2HH1  ARG  54          1HH2      ARG  54   4.870  -3.848 -15.855
  448   1HH2  ARG  54          2HH1      ARG  54   6.598  -1.692 -13.635
  449   2HH2  ARG  54          1HH1      ARG  54   6.572  -2.203 -15.293
  450    H    ARG  55           H        ARG  55  -1.184  -3.209  -8.812
  451    HA   ARG  55           HA       ARG  55  -1.604  -0.494  -9.712
  452   1HB   ARG  55          1HB       ARG  55  -3.150  -2.509  -8.121
  453   2HB   ARG  55          2HB       ARG  55  -3.607  -0.859  -7.968
  454   1HG   ARG  55          1HG       ARG  55  -3.542  -2.206 -10.700
  455   2HG   ARG  55          2HG       ARG  55  -4.859  -2.511  -9.553
  456   1HD   ARG  55          1HD       ARG  55  -5.164  -0.051  -9.364
  457   2HD   ARG  55          2HD       ARG  55  -4.130   0.166 -10.800
  458    HE   ARG  55           HE       ARG  55  -6.117  -1.528 -11.631
  459   1HH1  ARG  55          2HH2      ARG  55  -6.092   1.755 -10.218
  460   2HH1  ARG  55          1HH2      ARG  55  -7.768   2.030 -10.286
  461   1HH2  ARG  55          2HH1      ARG  55  -8.387  -1.015 -12.146
  462   2HH2  ARG  55          1HH1      ARG  55  -9.011   0.519 -11.655
  463    H    ILE  56           H        ILE  56  -0.814  -2.138  -6.519
  464    HA   ILE  56           HA       ILE  56  -0.874   0.303  -5.049
  465    HB   ILE  56           HB       ILE  56   0.806  -2.154  -4.457
  466   1HG1  ILE  56          1HG1      ILE  56  -1.293  -3.094  -4.382
  467   2HG1  ILE  56          2HG1      ILE  56  -1.168  -2.504  -2.754
  468   1HG2  ILE  56          1HG2      ILE  56  -0.131   0.117  -2.655
  469   2HG2  ILE  56          2HG2      ILE  56   0.693  -1.365  -2.109
  470   3HG2  ILE  56          3HG2      ILE  56   1.539  -0.225  -3.141
  471   1HD1  ILE  56          1HD1      ILE  56  -2.512  -0.449  -3.489
  472   2HD1  ILE  56          2HD1      ILE  56  -2.810  -1.302  -5.017
  473   3HD1  ILE  56          3HD1      ILE  56  -3.375  -2.007  -3.507
  474    H    SER  57           H        SER  57   1.629  -1.026  -7.196
  475    HA   SER  57           HA       SER  57   3.663   0.848  -6.469
  476   1HB   SER  57          1HB       SER  57   4.070  -1.240  -7.730
  477   2HB   SER  57          2HB       SER  57   3.162  -0.585  -9.104
  478    HG   SER  57           HG       SER  57   5.217  -0.230  -9.511
  479    H    TRP  58           H        TRP  58   1.435   0.916  -9.341
  480    HA   TRP  58           HA       TRP  58   1.871   3.545 -10.146
  481   1HB   TRP  58          1HB       TRP  58   0.453   2.572 -11.618
  482   2HB   TRP  58          2HB       TRP  58  -0.336   1.595 -10.398
  483    HD1  TRP  58           HD1      TRP  58  -0.467   5.293 -11.557
  484    HE1  TRP  58           HE1      TRP  58  -2.834   6.181 -11.259
  485    HE3  TRP  58           HE3      TRP  58  -2.485   1.301  -9.175
  486    HZ2  TRP  58           HZ2      TRP  58  -5.369   5.197 -10.084
  487    HZ3  TRP  58           HZ3      TRP  58  -4.659   1.446  -8.133
  488    HH2  TRP  58           HH2      TRP  58  -6.140   3.251  -8.573
  489    H    ASP  59           H        ASP  59  -0.367   2.469  -7.606
  490    HA   ASP  59           HA       ASP  59  -1.600   4.897  -7.035
  491   1HB   ASP  59          1HB       ASP  59  -0.947   2.487  -5.256
  492   2HB   ASP  59          2HB       ASP  59  -1.716   3.879  -4.590
  493    HD2  ASP  59           HD2      ASP  59  -4.259   1.525  -6.028
  494    H    ILE  60           H        ILE  60   1.322   3.558  -5.412
  495    HA   ILE  60           HA       ILE  60   1.843   5.931  -3.874
  496    HB   ILE  60           HB       ILE  60   3.263   3.356  -4.460
  497   1HG1  ILE  60          1HG1      ILE  60   3.263   3.083  -2.064
  498   2HG1  ILE  60          2HG1      ILE  60   2.734   4.737  -1.798
  499   1HG2  ILE  60          2HG2      ILE  60   4.576   5.731  -3.101
  500   2HG2  ILE  60          3HG2      ILE  60   5.172   4.056  -3.063
  501   3HG2  ILE  60          1HG2      ILE  60   5.106   4.915  -4.596
  502   1HD1  ILE  60          3HD1      ILE  60   1.027   2.555  -3.035
  503   2HD1  ILE  60          1HD1      ILE  60   1.002   3.077  -1.345
  504   3HD1  ILE  60          2HD1      ILE  60   0.505   4.210  -2.616
  505    H    LEU  61           H        LEU  61   3.175   4.724  -7.008
  506    HA   LEU  61           HA       LEU  61   5.073   6.788  -7.315
  507   1HB   LEU  61          1HB       LEU  61   3.555   5.163  -9.386
  508   2HB   LEU  61          2HB       LEU  61   4.889   6.236  -9.793
  509    HG   LEU  61           HG       LEU  61   5.209   3.929  -7.829
  510   1HD1  LEU  61          3HD1      LEU  61   4.502   3.054 -10.026
  511   2HD1  LEU  61          1HD1      LEU  61   5.801   3.976 -10.821
  512   3HD1  LEU  61          2HD1      LEU  61   6.184   2.661  -9.686
  513   1HD2  LEU  61          1HD2      LEU  61   6.968   5.678  -7.686
  514   2HD2  LEU  61          2HD2      LEU  61   7.584   4.151  -8.312
  515   3HD2  LEU  61          3HD2      LEU  61   7.275   5.504  -9.422
  516    H    THR  62           H        THR  62   1.613   6.826  -8.127
  517    HA   THR  62           HA       THR  62   1.822   9.506  -9.336
  518    HB   THR  62           HB       THR  62  -0.704   9.317  -9.416
  519    HG1  THR  62           HG1      THR  62  -0.167   6.624  -8.677
  520   1HG2  THR  62          3HG2      THR  62   0.741   8.787 -11.330
  521   2HG2  THR  62          1HG2      THR  62   0.896   7.110 -10.774
  522   3HG2  THR  62          2HG2      THR  62  -0.689   7.749 -11.286
  523    H    GLY  63           H        GLY  63   2.381   8.716  -6.325
  524   1HA   GLY  63          1HA       GLY  63   1.976   9.392  -4.216
  525   2HA   GLY  63          2HA       GLY  63   2.061  11.007  -4.947
  526    H    LYS  64           H        LYS  64  -0.418   8.386  -5.204
  527    HA   LYS  64           HA       LYS  64  -2.453  10.475  -4.929
  528   1HB   LYS  64          1HB       LYS  64  -2.452   8.734  -6.673
  529   2HB   LYS  64          2HB       LYS  64  -2.668   7.467  -5.467
  530   1HG   LYS  64          1HG       LYS  64  -4.926   8.043  -5.108
  531   2HG   LYS  64          2HG       LYS  64  -4.677   9.726  -5.590
  532   1HD   LYS  64          1HD       LYS  64  -5.993   8.509  -7.303
  533   2HD   LYS  64          2HD       LYS  64  -4.471   9.141  -7.919
  534   1HE   LYS  64          1HE       LYS  64  -4.564   7.012  -8.865
  535   2HE   LYS  64          2HE       LYS  64  -3.461   6.811  -7.508
  536   1HZ   LYS  64          2HZ       LYS  64  -5.618   6.061  -6.305
  537   2HZ   LYS  64          3HZ       LYS  64  -6.222   5.859  -7.835
  538   3HZ   LYS  64          1HZ       LYS  64  -4.893   5.030  -7.366
  539    H    LYS  65           H        LYS  65  -3.936  10.532  -3.224
  540    HA   LYS  65           HA       LYS  65  -2.677   9.705  -0.732
  541   1HB   LYS  65          1HB       LYS  65  -5.317  11.133  -1.274
  542   2HB   LYS  65          2HB       LYS  65  -4.686  10.866   0.338
  543   1HG   LYS  65          1HG       LYS  65  -3.460  12.590  -1.851
  544   2HG   LYS  65          2HG       LYS  65  -4.109  13.082  -0.297
  545   1HD   LYS  65          1HD       LYS  65  -1.886  13.219   0.208
  546   2HD   LYS  65          2HD       LYS  65  -2.152  11.537   0.675
  547   1HE   LYS  65          1HE       LYS  65  -1.402  10.949  -1.753
  548   2HE   LYS  65          2HE       LYS  65  -0.905  12.626  -1.905
  549   1HZ   LYS  65          2HZ       LYS  65   0.616  12.217  -0.026
  550   2HZ   LYS  65          3HZ       LYS  65   0.115  10.653   0.066
  551   3HZ   LYS  65          1HZ       LYS  65   0.892  11.174  -1.271
  552    HA   PRO  66           HA       PRO  66  -4.205   5.841   0.119
  553   1HB   PRO  66          1HB       PRO  66  -4.941   5.867   2.795
  554   2HB   PRO  66          2HB       PRO  66  -3.260   5.840   2.198
  555   1HG   PRO  66          1HG       PRO  66  -4.896   8.273   2.984
  556   2HG   PRO  66          2HG       PRO  66  -3.224   7.858   3.478
  557   1HD   PRO  66          1HD       PRO  66  -3.547   9.552   1.497
  558   2HD   PRO  66          2HD       PRO  66  -2.387   8.209   1.260
  559    H    GLN  67           H        GLN  67  -6.572   8.153   1.579
  560    HA   GLN  67           HA       GLN  67  -8.794   6.387   1.512
  561   1HB   GLN  67          1HB       GLN  67  -8.922   8.349   2.806
  562   2HB   GLN  67          2HB       GLN  67  -8.501   9.411   1.476
  563   1HG   GLN  67          1HG       GLN  67 -11.075   7.776   1.466
  564   2HG   GLN  67          2HG       GLN  67 -10.956   9.325   2.304
  565   1HE2  GLN  67          2HE2      GLN  67 -12.289  10.100  -1.070
  566   2HE2  GLN  67          1HE2      GLN  67 -12.869   9.129   0.268
  567    H    ALA  68           H        ALA  68  -7.434   8.559  -1.012
  568    HA   ALA  68           HA       ALA  68  -9.583   7.992  -2.833
  569   1HB   ALA  68          3HB       ALA  68  -8.265  10.083  -2.925
  570   2HB   ALA  68          1HB       ALA  68  -6.801   9.157  -3.351
  571   3HB   ALA  68          2HB       ALA  68  -8.185   9.206  -4.464
  572    H    ILE  69           H        ILE  69  -6.318   6.592  -2.279
  573    HA   ILE  69           HA       ILE  69  -6.316   4.901  -4.588
  574    HB   ILE  69           HB       ILE  69  -5.042   4.666  -1.814
  575   1HG1  ILE  69          1HG1      ILE  69  -3.722   5.136  -4.509
  576   2HG1  ILE  69          2HG1      ILE  69  -4.271   6.436  -3.518
  577   1HG2  ILE  69          1HG2      ILE  69  -4.935   2.701  -4.106
  578   2HG2  ILE  69          2HG2      ILE  69  -3.617   2.786  -2.923
  579   3HG2  ILE  69          3HG2      ILE  69  -5.246   2.389  -2.397
  580   1HD1  ILE  69          3HD1      ILE  69  -2.281   4.396  -2.450
  581   2HD1  ILE  69          1HD1      ILE  69  -1.820   5.860  -3.315
  582   3HD1  ILE  69          2HD1      ILE  69  -2.724   5.986  -1.796
  583    H    CYS  70           H        CYS  70  -7.521   4.237  -1.258
  584    HA   CYS  70           HA       CYS  70  -8.449   1.604  -1.877
  585   1HB   CYS  70          1HB       CYS  70  -9.403   3.589   0.222
  586   2HB   CYS  70          2HB       CYS  70  -9.719   1.848   0.230
  587    H    VAL  71           H        VAL  71 -10.175   4.809  -2.129
  588    HA   VAL  71           HA       VAL  71 -12.653   3.558  -2.810
  589    HB   VAL  71           HB       VAL  71 -11.586   6.362  -3.255
  590   1HG1  VAL  71          3HG1      VAL  71 -13.465   5.971  -4.830
  591   2HG1  VAL  71          1HG1      VAL  71 -14.479   5.428  -3.475
  592   3HG1  VAL  71          2HG1      VAL  71 -13.917   7.103  -3.554
  593   1HG2  VAL  71          3HG2      VAL  71 -11.970   5.528  -0.820
  594   2HG2  VAL  71          1HG2      VAL  71 -12.776   7.022  -1.309
  595   3HG2  VAL  71          2HG2      VAL  71 -13.689   5.518  -1.218
  596    H    ASP  72           H        ASP  72  -9.874   4.668  -4.785
  597    HA   ASP  72           HA       ASP  72 -11.009   4.451  -7.358
  598   1HB   ASP  72          1HB       ASP  72  -8.909   5.594  -6.783
  599   2HB   ASP  72          2HB       ASP  72  -8.156   4.077  -6.361
  600    H    ILE  73           H        ILE  73  -8.862   2.112  -5.663
  601    HA   ILE  73           HA       ILE  73  -9.422   0.107  -7.697
  602    HB   ILE  73           HB       ILE  73  -7.799  -1.259  -6.635
  603   1HG1  ILE  73          1HG1      ILE  73  -8.129   0.606  -4.251
  604   2HG1  ILE  73          2HG1      ILE  73  -8.304  -1.136  -4.332
  605   1HG2  ILE  73          3HG2      ILE  73  -7.143   0.702  -8.007
  606   2HG2  ILE  73          1HG2      ILE  73  -6.777   1.581  -6.512
  607   3HG2  ILE  73          2HG2      ILE  73  -5.900   0.073  -6.922
  608   1HD1  ILE  73          2HD1      ILE  73  -5.872  -1.341  -4.806
  609   2HD1  ILE  73          3HD1      ILE  73  -5.718   0.423  -4.566
  610   3HD1  ILE  73          1HD1      ILE  73  -6.245  -0.602  -3.219
  611    H    LYS  74           H        LYS  74 -11.195   1.101  -5.235
  612    HA   LYS  74           HA       LYS  74 -12.969   0.838  -4.362
  613   1HB   LYS  74          1HB       LYS  74 -13.285   0.218  -6.775
  614   2HB   LYS  74          2HB       LYS  74 -13.319  -1.466  -6.286
  615   1HG   LYS  74          1HG       LYS  74 -15.136  -1.278  -5.066
  616   2HG   LYS  74          2HG       LYS  74 -15.101   0.434  -4.781
  617   1HD   LYS  74          1HD       LYS  74 -15.506  -0.580  -7.613
  618   2HD   LYS  74          2HD       LYS  74 -16.862  -0.350  -6.518
  619   1HE   LYS  74          1HE       LYS  74 -16.435   1.589  -8.064
  620   2HE   LYS  74          2HE       LYS  74 -16.567   1.979  -6.357
  621   1HZ   LYS  74          3HZ       LYS  74 -13.963   1.801  -7.775
  622   2HZ   LYS  74          1HZ       LYS  74 -14.774   3.190  -7.448
  623   3HZ   LYS  74          2HZ       LYS  74 -14.190   2.290  -6.237
  624    H    ILE  75           H        ILE  75 -12.224   0.491  -2.447
  625    HA   ILE  75           HA       ILE  75 -12.576  -2.146  -1.128
  626    HB   ILE  75           HB       ILE  75 -10.143  -0.330  -1.059
  627   1HG1  ILE  75          1HG1      ILE  75 -10.536  -3.180  -2.109
  628   2HG1  ILE  75          2HG1      ILE  75 -10.096  -1.749  -3.036
  629   1HG2  ILE  75          1HG2      ILE  75 -10.617  -2.854   0.570
  630   2HG2  ILE  75          2HG2      ILE  75  -9.065  -1.999   0.476
  631   3HG2  ILE  75          3HG2      ILE  75 -10.418  -1.183   1.193
  632   1HD1  ILE  75          2HD1      ILE  75  -7.930  -1.666  -1.707
  633   2HD1  ILE  75          3HD1      ILE  75  -8.341  -3.307  -1.134
  634   3HD1  ILE  75          1HD1      ILE  75  -8.126  -3.007  -2.861
  635    H    CYS  76           H        CYS  76 -12.972   1.336  -1.020
  636    HA   CYS  76           HA       CYS  76 -12.840   1.384   1.926
  637   1HB   CYS  76          1HB       CYS  76 -11.800   3.208   0.737
  638   2HB   CYS  76          2HB       CYS  76 -13.310   3.608  -0.033
  639    H    LYS  77           H        LYS  77 -15.346   3.161   0.099
  640    HA   LYS  77           HA       LYS  77 -17.419   1.525   0.993
  641   1HB   LYS  77          1HB       LYS  77 -17.343   2.521   3.161
  642   2HB   LYS  77          2HB       LYS  77 -17.182   4.143   2.501
  643   1HG   LYS  77          1HG       LYS  77 -19.430   3.534   3.532
  644   2HG   LYS  77          2HG       LYS  77 -19.454   4.335   2.001
  645   1HD   LYS  77          1HD       LYS  77 -19.610   1.604   1.254
  646   2HD   LYS  77          2HD       LYS  77 -20.481   1.686   2.774
  647   1HE   LYS  77          1HE       LYS  77 -22.135   2.060   1.156
  648   2HE   LYS  77          2HE       LYS  77 -21.768   3.688   1.748
  649   1HZ   LYS  77          2HZ       LYS  77 -20.290   3.889  -0.269
  650   2HZ   LYS  77          3HZ       LYS  77 -20.794   2.455  -0.789
  651   3HZ   LYS  77          1HZ       LYS  77 -21.861   3.652  -0.693
  652    H    GLU  78           H        GLU  78 -16.911   1.677  -1.256
  653    HA   GLU  78           HA       GLU  78 -18.211   3.825  -2.732
  654   1HB   GLU  78          1HB       GLU  78 -17.111   1.080  -3.519
  655   2HB   GLU  78          2HB       GLU  78 -17.784   2.273  -4.644
  656   1HG   GLU  78          1HG       GLU  78 -15.405   2.620  -4.683
  657   2HG   GLU  78          2HG       GLU  78 -16.109   3.955  -3.818
   
  No H/Q in entry =         657
  Start of MODEL    9
    1   1H    GLY   1          2H        GLY   1 -17.152  -0.303   4.330
    2   2H    GLY   1          3H        GLY   1 -18.331  -1.311   3.923
    3   3H    GLY   1          1H        GLY   1 -17.951  -1.116   5.531
    4   1HA   GLY   1          1HA       GLY   1 -17.072  -3.218   4.741
    5   2HA   GLY   1          2HA       GLY   1 -16.300  -2.329   3.418
    6    H    TYR   2           H        TYR   2 -15.521  -3.840   6.256
    7    HA   TYR   2           HA       TYR   2 -13.815  -2.103   7.672
    8   1HB   TYR   2          1HB       TYR   2 -14.494  -4.266   8.520
    9   2HB   TYR   2          2HB       TYR   2 -13.764  -5.092   7.152
   10    HD1  TYR   2           HD2      TYR   2 -12.415  -2.500   9.600
   11    HD2  TYR   2           HD1      TYR   2 -12.047  -6.468   7.924
   12    HE1  TYR   2           HE2      TYR   2 -10.366  -2.879  10.927
   13    HE2  TYR   2           HE1      TYR   2 -10.022  -6.850   9.266
   14    HH   TYR   2           HH       TYR   2  -8.731  -6.023  11.067
   15    H    PHE   3           H        PHE   3 -13.382  -3.573   4.518
   16    HA   PHE   3           HA       PHE   3 -10.639  -3.503   4.200
   17   1HB   PHE   3          1HB       PHE   3 -12.945  -3.049   2.300
   18   2HB   PHE   3          2HB       PHE   3 -11.303  -2.855   1.764
   19    HD1  PHE   3           HD2      PHE   3  -9.652  -4.828   2.636
   20    HD2  PHE   3           HD1      PHE   3 -13.812  -5.146   1.575
   21    HE1  PHE   3           HE2      PHE   3  -9.321  -7.231   2.133
   22    HE2  PHE   3           HE1      PHE   3 -13.494  -7.550   1.074
   23    HZ   PHE   3           HZ       PHE   3 -11.260  -8.604   1.356
   24    H    CYS   4           H        CYS   4 -12.861  -0.650   4.091
   25    HA   CYS   4           HA       CYS   4 -11.017   0.991   2.812
   26   1HB   CYS   4          1HB       CYS   4 -13.381   1.810   3.305
   27   2HB   CYS   4          2HB       CYS   4 -13.016   1.780   5.009
   28    H    GLU   5           H        GLU   5 -11.487   0.868   6.400
   29    HA   GLU   5           HA       GLU   5  -9.414   2.733   6.918
   30   1HB   GLU   5          1HB       GLU   5 -11.377   1.972   8.428
   31   2HB   GLU   5          2HB       GLU   5 -10.329   0.641   8.906
   32   1HG   GLU   5          1HG       GLU   5  -9.915   3.624   9.272
   33   2HG   GLU   5          2HG       GLU   5 -10.136   2.420  10.530
   34    H    SER   6           H        SER   6  -9.498  -0.852   7.015
   35    HA   SER   6           HA       SER   6  -6.871  -1.438   7.668
   36   1HB   SER   6          1HB       SER   6  -8.566  -2.783   5.506
   37   2HB   SER   6          2HB       SER   6  -7.188  -3.485   6.361
   38    HG   SER   6           HG       SER   6  -9.791  -2.898   7.329
   39    H    CYS   7           H        CYS   7  -8.146  -0.822   4.340
   40    HA   CYS   7           HA       CYS   7  -5.677  -1.050   2.966
   41   1HB   CYS   7          1HB       CYS   7  -7.857  -1.250   1.940
   42   2HB   CYS   7          2HB       CYS   7  -8.266   0.408   2.325
   43    H    ARG   8           H        ARG   8  -7.449   1.804   4.167
   44    HA   ARG   8           HA       ARG   8  -5.787   3.895   3.303
   45   1HB   ARG   8          1HB       ARG   8  -7.995   4.222   4.216
   46   2HB   ARG   8          2HB       ARG   8  -7.573   3.404   5.701
   47   1HG   ARG   8          1HG       ARG   8  -6.018   5.361   6.235
   48   2HG   ARG   8          2HG       ARG   8  -6.824   6.207   4.886
   49   1HD   ARG   8          1HD       ARG   8  -9.040   5.673   5.960
   50   2HD   ARG   8          2HD       ARG   8  -8.196   4.896   7.302
   51    HE   ARG   8           HE       ARG   8  -8.469   7.736   6.676
   52   1HH1  ARG   8          2HH2      ARG   8  -7.232   5.265   9.029
   53   2HH1  ARG   8          1HH2      ARG   8  -6.613   6.449  10.098
   54   1HH2  ARG   8          2HH1      ARG   8  -7.631   9.267   8.190
   55   2HH2  ARG   8          1HH1      ARG   8  -6.886   8.772   9.660
   56    H    LYS   9           H        LYS   9  -5.668   2.055   6.385
   57    HA   LYS   9           HA       LYS   9  -3.289   3.266   7.360
   58   1HB   LYS   9          1HB       LYS   9  -5.107   2.038   8.587
   59   2HB   LYS   9          2HB       LYS   9  -4.470   0.517   7.976
   60   1HG   LYS   9          1HG       LYS   9  -2.447   0.729   9.221
   61   2HG   LYS   9          2HG       LYS   9  -2.734   2.445   9.576
   62   1HD   LYS   9          1HD       LYS   9  -4.631   0.253  10.502
   63   2HD   LYS   9          2HD       LYS   9  -3.236   0.755  11.475
   64   1HE   LYS   9          1HE       LYS   9  -4.076   2.928  11.845
   65   2HE   LYS   9          2HE       LYS   9  -5.160   2.853  10.444
   66   1HZ   LYS   9          1HZ       LYS   9  -5.629   1.214  12.843
   67   2HZ   LYS   9          2HZ       LYS   9  -6.362   2.667  12.500
   68   3HZ   LYS   9          3HZ       LYS   9  -6.580   1.430  11.494
   69    H    ILE  10           H        ILE  10  -3.807   0.322   5.396
   70    HA   ILE  10           HA       ILE  10  -1.108  -0.580   5.417
   71    HB   ILE  10           HB       ILE  10  -3.484  -1.140   3.642
   72   1HG1  ILE  10          1HG1      ILE  10  -1.910  -3.000   5.478
   73   2HG1  ILE  10          2HG1      ILE  10  -3.169  -1.972   6.119
   74   1HG2  ILE  10          2HG2      ILE  10  -0.703  -2.352   3.435
   75   2HG2  ILE  10          3HG2      ILE  10  -2.150  -3.077   2.705
   76   3HG2  ILE  10          1HG2      ILE  10  -1.594  -1.499   2.157
   77   1HD1  ILE  10          3HD1      ILE  10  -3.632  -4.047   3.942
   78   2HD1  ILE  10          1HD1      ILE  10  -4.021  -4.228   5.648
   79   3HD1  ILE  10          2HD1      ILE  10  -4.860  -3.015   4.670
   80    H    ILE  11           H        ILE  11  -2.820   1.548   3.009
   81    HA   ILE  11           HA       ILE  11  -0.426   2.013   1.480
   82    HB   ILE  11           HB       ILE  11  -2.917   3.736   1.789
   83   1HG1  ILE  11          1HG1      ILE  11  -3.524   1.717   0.582
   84   2HG1  ILE  11          2HG1      ILE  11  -3.452   3.068  -0.531
   85   1HG2  ILE  11          3HG2      ILE  11  -0.527   4.067  -0.074
   86   2HG2  ILE  11          1HG2      ILE  11  -2.071   4.893  -0.291
   87   3HG2  ILE  11          2HG2      ILE  11  -1.093   5.212   1.133
   88   1HD1  ILE  11          1HD1      ILE  11  -1.287   2.282  -1.389
   89   2HD1  ILE  11          2HD1      ILE  11  -1.340   0.899  -0.262
   90   3HD1  ILE  11          3HD1      ILE  11  -2.561   1.075  -1.538
   91    H    GLN  12           H        GLN  12  -1.931   3.881   4.220
   92    HA   GLN  12           HA       GLN  12  -0.088   5.956   4.251
   93   1HB   GLN  12          1HB       GLN  12  -1.632   4.600   6.481
   94   2HB   GLN  12          2HB       GLN  12  -0.564   5.955   6.823
   95   1HG   GLN  12          1HG       GLN  12  -2.496   6.349   4.576
   96   2HG   GLN  12          2HG       GLN  12  -3.174   6.242   6.193
   97   1HE2  GLN  12          2HE2      GLN  12  -0.732   9.476   5.419
   98   2HE2  GLN  12          1HE2      GLN  12  -0.654   8.173   4.261
   99    H    LYS  13           H        LYS  13   0.292   2.792   5.999
  100    HA   LYS  13           HA       LYS  13   2.822   3.640   7.032
  101   1HB   LYS  13          1HB       LYS  13   1.300   1.747   7.903
  102   2HB   LYS  13          2HB       LYS  13   2.017   0.748   6.639
  103   1HG   LYS  13          1HG       LYS  13   3.109   0.358   8.769
  104   2HG   LYS  13          2HG       LYS  13   4.267   1.059   7.662
  105   1HD   LYS  13          1HD       LYS  13   2.773   2.991   9.434
  106   2HD   LYS  13          2HD       LYS  13   3.876   1.870  10.246
  107   1HE   LYS  13          1HE       LYS  13   5.736   2.582   8.796
  108   2HE   LYS  13          2HE       LYS  13   4.680   3.675   7.922
  109   1HZ   LYS  13          1HZ       LYS  13   5.365   4.029  10.801
  110   2HZ   LYS  13          2HZ       LYS  13   5.946   4.846   9.468
  111   3HZ   LYS  13          3HZ       LYS  13   4.481   5.066   9.814
  112    H    LEU  14           H        LEU  14   1.965   2.397   3.878
  113    HA   LEU  14           HA       LEU  14   4.652   1.561   3.103
  114   1HB   LEU  14          1HB       LEU  14   2.381   0.959   1.930
  115   2HB   LEU  14          2HB       LEU  14   2.414   2.569   1.270
  116    HG   LEU  14           HG       LEU  14   3.215   1.277  -0.438
  117   1HD1  LEU  14          1HD1      LEU  14   4.785   3.202  -0.057
  118   2HD1  LEU  14          2HD1      LEU  14   5.857   2.087   0.820
  119   3HD1  LEU  14          3HD1      LEU  14   5.518   1.820  -0.885
  120   1HD2  LEU  14          3HD2      LEU  14   4.996  -0.174   1.541
  121   2HD2  LEU  14          1HD2      LEU  14   3.503  -0.775   0.766
  122   3HD2  LEU  14          2HD2      LEU  14   4.939  -0.441  -0.216
  123    H    GLU  15           H        GLU  15   2.547   4.309   2.472
  124    HA   GLU  15           HA       GLU  15   4.186   5.983   1.027
  125   1HB   GLU  15          1HB       GLU  15   1.668   5.874   1.333
  126   2HB   GLU  15          2HB       GLU  15   1.865   6.475   2.973
  127   1HG   GLU  15          1HG       GLU  15   2.685   8.642   1.979
  128   2HG   GLU  15          2HG       GLU  15   2.305   7.968   0.382
  129    H    ASP  16           H        ASP  16   3.573   6.049   4.530
  130    HA   ASP  16           HA       ASP  16   5.269   8.153   5.329
  131   1HB   ASP  16          1HB       ASP  16   3.623   7.170   6.799
  132   2HB   ASP  16          2HB       ASP  16   4.219   5.544   6.496
  133    H    MET  17           H        MET  17   6.059   4.694   4.809
  134    HA   MET  17           HA       MET  17   8.753   5.177   5.864
  135   1HB   MET  17          1HB       MET  17   7.491   2.684   4.652
  136   2HB   MET  17          2HB       MET  17   9.143   2.781   5.302
  137   1HG   MET  17          1HG       MET  17   8.140   3.622   7.472
  138   2HG   MET  17          2HG       MET  17   6.566   3.238   6.820
  139   1HE   MET  17          1HE       MET  17   6.532   0.490   5.536
  140   2HE   MET  17          2HE       MET  17   8.288   0.343   5.284
  141   3HE   MET  17          3HE       MET  17   7.443  -0.834   6.303
  142    H    VAL  18           H        VAL  18   7.309   4.528   2.593
  143    HA   VAL  18           HA       VAL  18   9.963   4.376   1.419
  144    HB   VAL  18           HB       VAL  18   7.780   3.326   0.582
  145   1HG1  VAL  18          3HG1      VAL  18   6.387   5.332   0.484
  146   2HG1  VAL  18          1HG1      VAL  18   7.429   5.985  -0.793
  147   3HG1  VAL  18          2HG1      VAL  18   6.519   4.499  -1.086
  148   1HG2  VAL  18          3HG2      VAL  18   9.854   4.555  -1.198
  149   2HG2  VAL  18          1HG2      VAL  18   9.748   2.933  -0.507
  150   3HG2  VAL  18          2HG2      VAL  18   8.609   3.399  -1.770
  151    H    GLY  19           H        GLY  19   7.608   6.898   2.191
  152   1HA   GLY  19          1HA       GLY  19   7.932   9.081   2.521
  153   2HA   GLY  19          2HA       GLY  19   9.598   8.962   1.915
  154    HA   PRO  20           HA       PRO  20   6.949  10.935  -1.401
  155   1HB   PRO  20          1HB       PRO  20   8.361  13.225  -1.814
  156   2HB   PRO  20          2HB       PRO  20   7.231  13.065  -0.432
  157   1HG   PRO  20          1HG       PRO  20  10.241  12.657  -0.437
  158   2HG   PRO  20          2HG       PRO  20   9.261  13.638   0.701
  159   1HD   PRO  20          1HD       PRO  20  10.039  11.049   1.201
  160   2HD   PRO  20          2HD       PRO  20   8.474  11.725   1.810
  161    H    GLN  21           H        GLN  21   7.611  11.426  -3.448
  162    HA   GLN  21           HA       GLN  21   8.334  10.445  -5.485
  163   1HB   GLN  21          1HB       GLN  21  10.685  12.038  -4.407
  164   2HB   GLN  21          2HB       GLN  21  10.537  11.505  -6.088
  165   1HG   GLN  21          1HG       GLN  21   8.565  12.833  -6.455
  166   2HG   GLN  21          2HG       GLN  21   8.413  13.213  -4.738
  167   1HE2  GLN  21          2HE2      GLN  21  11.586  15.098  -6.539
  168   2HE2  GLN  21          1HE2      GLN  21  11.392  13.379  -6.855
  169    HA   PRO  22           HA       PRO  22  10.903   6.924  -3.826
  170   1HB   PRO  22          1HB       PRO  22   9.182   4.923  -3.580
  171   2HB   PRO  22          2HB       PRO  22   9.141   6.287  -2.420
  172   1HG   PRO  22          1HG       PRO  22   7.421   5.965  -4.908
  173   2HG   PRO  22          2HG       PRO  22   6.874   6.184  -3.213
  174   1HD   PRO  22          1HD       PRO  22   7.230   8.328  -4.911
  175   2HD   PRO  22          2HD       PRO  22   7.583   8.428  -3.157
  176    H    ASN  23           H        ASN  23  10.611   4.429  -5.056
  177    HA   ASN  23           HA       ASN  23  10.073   4.894  -7.916
  178   1HB   ASN  23          1HB       ASN  23  12.149   3.962  -8.639
  179   2HB   ASN  23          2HB       ASN  23  12.553   5.259  -7.518
  180   1HD2  ASN  23          2HD2      ASN  23  13.953   3.010  -5.111
  181   2HD2  ASN  23          1HD2      ASN  23  13.714   4.688  -5.577
  182    H    GLU  24           H        GLU  24   9.889   2.982  -9.056
  183    HA   GLU  24           HA       GLU  24   7.950   1.298  -8.274
  184   1HB   GLU  24          1HB       GLU  24   8.773   1.925 -10.551
  185   2HB   GLU  24          2HB       GLU  24  10.169   0.888 -10.319
  186   1HG   GLU  24          1HG       GLU  24   8.617  -0.242 -11.740
  187   2HG   GLU  24          2HG       GLU  24   8.606  -1.090 -10.195
  188    H    ASP  25           H        ASP  25  11.439   0.525  -7.824
  189    HA   ASP  25           HA       ASP  25  10.840  -2.228  -7.006
  190   1HB   ASP  25          1HB       ASP  25  13.047  -1.915  -7.872
  191   2HB   ASP  25          2HB       ASP  25  13.356  -0.538  -6.797
  192    H    THR  26           H        THR  26  12.010   0.747  -5.364
  193    HA   THR  26           HA       THR  26  11.942  -0.341  -2.810
  194    HB   THR  26           HB       THR  26  11.476   2.599  -3.483
  195    HG1  THR  26           HG1      THR  26  13.659   0.838  -3.792
  196   1HG2  THR  26          3HG2      THR  26  11.484   1.824  -1.015
  197   2HG2  THR  26          1HG2      THR  26  13.152   1.322  -1.257
  198   3HG2  THR  26          2HG2      THR  26  12.706   3.034  -1.444
  199    H    VAL  27           H        VAL  27   9.261   1.198  -4.581
  200    HA   VAL  27           HA       VAL  27   7.410   1.141  -2.358
  201    HB   VAL  27           HB       VAL  27   6.940   1.162  -5.370
  202   1HG1  VAL  27          2HG1      VAL  27   5.000   1.765  -3.082
  203   2HG1  VAL  27          3HG1      VAL  27   4.715   2.072  -4.805
  204   3HG1  VAL  27          1HG1      VAL  27   4.896   0.406  -4.225
  205   1HG2  VAL  27          2HG2      VAL  27   8.131   3.181  -4.516
  206   2HG2  VAL  27          3HG2      VAL  27   6.510   3.563  -5.072
  207   3HG2  VAL  27          1HG2      VAL  27   6.850   3.431  -3.329
  208    H    THR  28           H        THR  28   8.199  -1.227  -4.967
  209    HA   THR  28           HA       THR  28   6.220  -3.150  -4.239
  210    HB   THR  28           HB       THR  28   8.896  -3.469  -5.679
  211    HG1  THR  28           HG1      THR  28   7.691  -2.195  -6.884
  212   1HG2  THR  28          3HG2      THR  28   6.500  -5.348  -5.639
  213   2HG2  THR  28          1HG2      THR  28   7.946  -5.495  -6.667
  214   3HG2  THR  28          2HG2      THR  28   8.096  -5.665  -4.917
  215    H    GLN  29           H        GLN  29   9.736  -2.974  -3.323
  216    HA   GLN  29           HA       GLN  29   9.458  -5.272  -1.608
  217   1HB   GLN  29          1HB       GLN  29  11.666  -4.666  -0.720
  218   2HB   GLN  29          2HB       GLN  29  11.626  -4.815  -2.475
  219   1HG   GLN  29          1HG       GLN  29  11.940  -2.549  -2.834
  220   2HG   GLN  29          2HG       GLN  29  11.423  -2.085  -1.203
  221   1HE2  GLN  29          2HE2      GLN  29  15.333  -2.661  -1.855
  222   2HE2  GLN  29          1HE2      GLN  29  14.171  -2.489  -3.159
  223    H    ALA  30           H        ALA  30   9.218  -1.733  -0.971
  224    HA   ALA  30           HA       ALA  30   8.988  -1.849   1.834
  225   1HB   ALA  30          2HB       ALA  30   7.518  -0.025  -0.117
  226   2HB   ALA  30          3HB       ALA  30   7.597   0.195   1.642
  227   3HB   ALA  30          1HB       ALA  30   9.077   0.297   0.681
  228    H    ALA  31           H        ALA  31   6.503  -2.504  -0.702
  229    HA   ALA  31           HA       ALA  31   4.383  -2.771   1.178
  230   1HB   ALA  31          1HB       ALA  31   4.040  -2.358  -1.282
  231   2HB   ALA  31          2HB       ALA  31   4.613  -3.998  -1.633
  232   3HB   ALA  31          3HB       ALA  31   3.118  -3.761  -0.711
  233    H    SER  32           H        SER  32   6.471  -5.412  -0.277
  234    HA   SER  32           HA       SER  32   4.919  -7.473   1.090
  235   1HB   SER  32          1HB       SER  32   7.012  -8.874   0.806
  236   2HB   SER  32          2HB       SER  32   6.408  -8.147  -0.694
  237    HG   SER  32           HG       SER  32   8.689  -7.462   0.815
  238    H    GLN  33           H        GLN  33   7.459  -5.339   2.231
  239    HA   GLN  33           HA       GLN  33   7.422  -6.709   4.824
  240   1HB   GLN  33          1HB       GLN  33   8.881  -4.162   4.048
  241   2HB   GLN  33          2HB       GLN  33   9.156  -5.188   5.460
  242   1HG   GLN  33          1HG       GLN  33   9.878  -5.704   2.572
  243   2HG   GLN  33          2HG       GLN  33  10.897  -5.799   3.991
  244   1HE2  GLN  33          2HE2      GLN  33   9.809  -9.170   4.778
  245   2HE2  GLN  33          1HE2      GLN  33  10.359  -7.691   5.549
  246    H    VAL  34           H        VAL  34   5.808  -3.873   3.391
  247    HA   VAL  34           HA       VAL  34   5.181  -2.504   5.730
  248    HB   VAL  34           HB       VAL  34   4.626  -1.925   3.238
  249   1HG1  VAL  34          1HG1      VAL  34   2.780  -3.710   2.867
  250   2HG1  VAL  34          2HG1      VAL  34   1.801  -2.680   3.875
  251   3HG1  VAL  34          3HG1      VAL  34   2.466  -2.052   2.371
  252   1HG2  VAL  34          3HG2      VAL  34   4.411  -0.347   4.919
  253   2HG2  VAL  34          1HG2      VAL  34   3.008  -0.284   3.839
  254   3HG2  VAL  34          2HG2      VAL  34   2.833  -1.047   5.439
  255    H    CYS  35           H        CYS  35   3.654  -5.208   4.118
  256    HA   CYS  35           HA       CYS  35   1.490  -5.645   5.928
  257   1HB   CYS  35          1HB       CYS  35   2.993  -7.577   4.127
  258   2HB   CYS  35          2HB       CYS  35   1.395  -7.851   4.838
  259    H    ASP  36           H        ASP  36   4.796  -7.254   5.674
  260    HA   ASP  36           HA       ASP  36   4.252  -8.846   7.993
  261   1HB   ASP  36          1HB       ASP  36   6.291  -9.165   6.534
  262   2HB   ASP  36          2HB       ASP  36   7.050  -7.854   7.475
  263    H    LYS  37           H        LYS  37   5.503  -5.545   7.790
  264    HA   LYS  37           HA       LYS  37   6.123  -5.299  10.562
  265   1HB   LYS  37          1HB       LYS  37   6.975  -4.030   8.479
  266   2HB   LYS  37          2HB       LYS  37   5.523  -3.034   8.603
  267   1HG   LYS  37          1HG       LYS  37   6.307  -2.293  10.875
  268   2HG   LYS  37          2HG       LYS  37   7.713  -3.368  10.704
  269   1HD   LYS  37          1HD       LYS  37   8.185  -2.073   8.483
  270   2HD   LYS  37          2HD       LYS  37   7.039  -0.874   9.113
  271   1HE   LYS  37          1HE       LYS  37   8.478  -0.580  11.120
  272   2HE   LYS  37          2HE       LYS  37   9.555  -1.853  10.515
  273   1HZ   LYS  37          2HZ       LYS  37   9.125   0.708   9.114
  274   2HZ   LYS  37          3HZ       LYS  37  10.409   0.378  10.085
  275   3HZ   LYS  37          1HZ       LYS  37  10.186  -0.460   8.696
  276    H    LEU  38           H        LEU  38   3.227  -4.351   8.613
  277    HA   LEU  38           HA       LEU  38   1.773  -3.433  11.012
  278   1HB   LEU  38          1HB       LEU  38   0.931  -4.028   8.133
  279   2HB   LEU  38          2HB       LEU  38  -0.200  -3.555   9.391
  280    HG   LEU  38           HG       LEU  38   2.095  -1.796   8.443
  281   1HD1  LEU  38          1HD1      LEU  38  -0.883  -1.812   7.759
  282   2HD1  LEU  38          2HD1      LEU  38   0.244  -0.521   7.321
  283   3HD1  LEU  38          3HD1      LEU  38   0.472  -2.142   6.653
  284   1HD2  LEU  38          3HD2      LEU  38  -0.312  -1.243  10.248
  285   2HD2  LEU  38          1HD2      LEU  38   1.401  -1.227  10.733
  286   3HD2  LEU  38          2HD2      LEU  38   0.788  -0.006   9.617
  287    H    LYS  39           H        LYS  39   2.350  -5.430  12.204
  288    HA   LYS  39           HA       LYS  39   1.286  -7.878  11.089
  289   1HB   LYS  39          1HB       LYS  39   2.092  -9.023  13.146
  290   2HB   LYS  39          2HB       LYS  39   3.232  -8.301  12.040
  291   1HG   LYS  39          1HG       LYS  39   3.326  -6.293  13.698
  292   2HG   LYS  39          2HG       LYS  39   2.494  -7.375  14.815
  293   1HD   LYS  39          1HD       LYS  39   4.784  -7.559  15.308
  294   2HD   LYS  39          2HD       LYS  39   4.420  -9.043  14.454
  295   1HE   LYS  39          1HE       LYS  39   5.632  -6.605  13.052
  296   2HE   LYS  39          2HE       LYS  39   6.631  -7.719  13.986
  297   1HZ   LYS  39          3HZ       LYS  39   5.862  -9.515  12.460
  298   2HZ   LYS  39          1HZ       LYS  39   5.144  -8.352  11.518
  299   3HZ   LYS  39          2HZ       LYS  39   6.712  -8.381  11.680
  300    H    ILE  40           H        ILE  40  -0.218  -9.304  12.346
  301    HA   ILE  40           HA       ILE  40  -2.316  -9.752  13.055
  302    HB   ILE  40           HB       ILE  40  -2.679  -6.837  13.893
  303   1HG1  ILE  40          1HG1      ILE  40  -0.951  -7.830  15.289
  304   2HG1  ILE  40          2HG1      ILE  40  -2.435  -7.600  16.195
  305   1HG2  ILE  40          2HG2      ILE  40  -4.445  -9.258  14.342
  306   2HG2  ILE  40          3HG2      ILE  40  -4.635  -7.678  15.131
  307   3HG2  ILE  40          1HG2      ILE  40  -4.807  -7.811  13.386
  308   1HD1  ILE  40          2HD1      ILE  40  -2.943 -10.037  15.987
  309   2HD1  ILE  40          3HD1      ILE  40  -1.414 -10.261  15.099
  310   3HD1  ILE  40          1HD1      ILE  40  -1.395  -9.724  16.784
  311    H    LEU  41           H        LEU  41  -2.086  -6.487  11.509
  312    HA   LEU  41           HA       LEU  41  -4.217  -7.139   9.629
  313   1HB   LEU  41          1HB       LEU  41  -3.561  -4.857  10.717
  314   2HB   LEU  41          2HB       LEU  41  -2.268  -4.811   9.522
  315    HG   LEU  41           HG       LEU  41  -4.024  -4.921   7.715
  316   1HD1  LEU  41          3HD1      LEU  41  -5.965  -4.619  10.052
  317   2HD1  LEU  41          1HD1      LEU  41  -6.386  -4.388   8.353
  318   3HD1  LEU  41          2HD1      LEU  41  -5.896  -5.982   8.918
  319   1HD2  LEU  41          1HD2      LEU  41  -3.066  -2.772   8.494
  320   2HD2  LEU  41          2HD2      LEU  41  -4.746  -2.593   7.972
  321   3HD2  LEU  41          3HD2      LEU  41  -4.360  -2.640   9.704
  322    H    ARG  42           H        ARG  42  -1.217  -8.214   9.796
  323    HA   ARG  42           HA       ARG  42   0.057  -8.242   7.269
  324   1HB   ARG  42          1HB       ARG  42   0.840  -9.113   9.500
  325   2HB   ARG  42          2HB       ARG  42  -0.267 -10.470   9.348
  326   1HG   ARG  42          1HG       ARG  42   1.100 -11.245   7.356
  327   2HG   ARG  42          2HG       ARG  42   2.214  -9.893   7.678
  328   1HD   ARG  42          1HD       ARG  42   2.321 -10.783  10.110
  329   2HD   ARG  42          2HD       ARG  42   1.514 -12.232   9.516
  330    HE   ARG  42           HE       ARG  42   4.224 -11.242   8.631
  331   1HH1  ARG  42          2HH2      ARG  42   2.268 -14.068   9.634
  332   2HH1  ARG  42          1HH2      ARG  42   3.658 -15.085   9.714
  333   1HH2  ARG  42          2HH1      ARG  42   5.887 -12.480   8.760
  334   2HH2  ARG  42          1HH1      ARG  42   5.843 -14.178   9.158
  335    H    GLY  43           H        GLY  43  -2.711 -10.234   8.492
  336   1HA   GLY  43          1HA       GLY  43  -2.894 -11.944   6.209
  337   2HA   GLY  43          2HA       GLY  43  -4.213 -11.542   7.324
  338    H    LEU  44           H        LEU  44  -4.583  -8.843   7.003
  339    HA   LEU  44           HA       LEU  44  -6.168  -8.829   4.650
  340   1HB   LEU  44          1HB       LEU  44  -6.479  -7.630   6.933
  341   2HB   LEU  44          2HB       LEU  44  -5.385  -6.406   6.315
  342    HG   LEU  44           HG       LEU  44  -7.651  -5.693   6.128
  343   1HD1  LEU  44          3HD1      LEU  44  -6.070  -5.127   4.223
  344   2HD1  LEU  44          1HD1      LEU  44  -6.897  -6.393   3.283
  345   3HD1  LEU  44          2HD1      LEU  44  -7.792  -4.984   3.880
  346   1HD2  LEU  44          3HD2      LEU  44  -8.757  -7.898   6.090
  347   2HD2  LEU  44          1HD2      LEU  44  -9.382  -6.803   4.857
  348   3HD2  LEU  44          2HD2      LEU  44  -8.278  -8.114   4.392
  349    H    CYS  45           H        CYS  45  -3.218  -6.847   5.525
  350    HA   CYS  45           HA       CYS  45  -2.704  -5.767   3.073
  351   1HB   CYS  45          1HB       CYS  45  -1.679  -5.286   5.292
  352   2HB   CYS  45          2HB       CYS  45  -0.721  -6.750   5.149
  353    H    LYS  46           H        LYS  46  -1.530  -9.063   4.159
  354    HA   LYS  46           HA       LYS  46  -0.139  -9.433   1.661
  355   1HB   LYS  46          1HB       LYS  46  -1.134 -11.535   3.625
  356   2HB   LYS  46          2HB       LYS  46  -0.265 -11.898   2.146
  357   1HG   LYS  46          1HG       LYS  46   0.838 -10.575   4.635
  358   2HG   LYS  46          2HG       LYS  46   1.365 -12.037   3.822
  359   1HD   LYS  46          1HD       LYS  46   2.133 -10.558   1.893
  360   2HD   LYS  46          2HD       LYS  46   1.659  -9.187   2.880
  361   1HE   LYS  46          1HE       LYS  46   3.893  -9.184   3.288
  362   2HE   LYS  46          2HE       LYS  46   3.306 -10.101   4.673
  363   1HZ   LYS  46          1HZ       LYS  46   4.516 -11.218   2.206
  364   2HZ   LYS  46          2HZ       LYS  46   5.268 -11.039   3.638
  365   3HZ   LYS  46          3HZ       LYS  46   4.030 -12.117   3.505
  366    H    LYS  47           H        LYS  47  -3.598 -10.069   2.532
  367    HA   LYS  47           HA       LYS  47  -4.152 -11.220  -0.042
  368   1HB   LYS  47          1HB       LYS  47  -5.820 -11.223   1.872
  369   2HB   LYS  47          2HB       LYS  47  -6.091  -9.506   1.567
  370   1HG   LYS  47          1HG       LYS  47  -6.397 -10.650  -0.994
  371   2HG   LYS  47          2HG       LYS  47  -7.039 -11.888   0.063
  372   1HD   LYS  47          1HD       LYS  47  -8.640 -10.310   1.009
  373   2HD   LYS  47          2HD       LYS  47  -7.942  -8.962   0.104
  374   1HE   LYS  47          1HE       LYS  47  -9.097 -11.437  -1.262
  375   2HE   LYS  47          2HE       LYS  47 -10.109 -10.072  -0.793
  376   1HZ   LYS  47          3HZ       LYS  47  -7.852  -9.882  -2.719
  377   2HZ   LYS  47          1HZ       LYS  47  -9.432  -9.903  -3.087
  378   3HZ   LYS  47          2HZ       LYS  47  -8.823  -8.646  -2.250
  379    H    ILE  48           H        ILE  48  -4.169  -7.780   1.097
  380    HA   ILE  48           HA       ILE  48  -5.128  -6.619  -1.290
  381    HB   ILE  48           HB       ILE  48  -3.236  -5.547   0.826
  382   1HG1  ILE  48          1HG1      ILE  48  -5.622  -6.109   1.455
  383   2HG1  ILE  48          2HG1      ILE  48  -5.074  -4.478   1.811
  384   1HG2  ILE  48          1HG2      ILE  48  -4.455  -3.974  -1.465
  385   2HG2  ILE  48          2HG2      ILE  48  -3.737  -3.256  -0.006
  386   3HG2  ILE  48          3HG2      ILE  48  -2.738  -4.209  -1.102
  387   1HD1  ILE  48          1HD1      ILE  48  -6.798  -5.225  -0.584
  388   2HD1  ILE  48          2HD1      ILE  48  -7.404  -4.605   0.964
  389   3HD1  ILE  48          3HD1      ILE  48  -6.357  -3.586  -0.031
  390    H    MET  49           H        MET  49  -1.735  -7.413  -0.363
  391    HA   MET  49           HA       MET  49  -0.758  -6.467  -2.908
  392   1HB   MET  49          1HB       MET  49   0.623  -8.288  -0.889
  393   2HB   MET  49          2HB       MET  49   1.392  -7.442  -2.236
  394   1HG   MET  49          1HG       MET  49   0.131  -6.256   0.239
  395   2HG   MET  49          2HG       MET  49   1.802  -6.126  -0.275
  396   1HE   MET  49          1HE       MET  49  -0.672  -4.010   0.687
  397   2HE   MET  49          2HE       MET  49   1.029  -3.481   0.653
  398   3HE   MET  49          3HE       MET  49  -0.216  -2.552  -0.211
  399    H    ARG  50           H        ARG  50  -1.450  -9.848  -1.751
  400    HA   ARG  50           HA       ARG  50  -0.662 -11.191  -4.120
  401   1HB   ARG  50          1HB       ARG  50  -1.368 -12.264  -2.013
  402   2HB   ARG  50          2HB       ARG  50  -3.005 -11.708  -2.231
  403   1HG   ARG  50          1HG       ARG  50  -2.772 -14.080  -2.693
  404   2HG   ARG  50          2HG       ARG  50  -3.410 -13.208  -4.068
  405   1HD   ARG  50          1HD       ARG  50  -0.437 -13.781  -3.982
  406   2HD   ARG  50          2HD       ARG  50  -1.564 -15.112  -4.279
  407    HE   ARG  50           HE       ARG  50  -1.839 -12.662  -5.912
  408   1HH1  ARG  50          2HH2      ARG  50  -0.828 -16.085  -5.890
  409   2HH1  ARG  50          1HH2      ARG  50  -0.945 -16.264  -7.595
  410   1HH2  ARG  50          2HH1      ARG  50  -1.979 -12.893  -8.134
  411   2HH2  ARG  50          1HH1      ARG  50  -1.603 -14.380  -8.921
  412    H    SER  51           H        SER  51  -3.581  -9.496  -3.335
  413    HA   SER  51           HA       SER  51  -5.008 -10.120  -5.778
  414   1HB   SER  51          1HB       SER  51  -5.872  -9.673  -3.409
  415   2HB   SER  51          2HB       SER  51  -5.613  -7.953  -3.721
  416    HG   SER  51           HG       SER  51  -7.124  -8.227  -5.464
  417    H    PHE  52           H        PHE  52  -3.164  -7.159  -4.626
  418    HA   PHE  52           HA       PHE  52  -3.307  -6.130  -7.423
  419   1HB   PHE  52          1HB       PHE  52  -3.914  -4.435  -4.985
  420   2HB   PHE  52          2HB       PHE  52  -4.309  -4.100  -6.656
  421    HD1  PHE  52           HD2      PHE  52  -6.180  -5.760  -7.712
  422    HD2  PHE  52           HD1      PHE  52  -5.568  -4.955  -3.519
  423    HE1  PHE  52           HE2      PHE  52  -8.549  -6.321  -7.250
  424    HE2  PHE  52           HE1      PHE  52  -7.940  -5.499  -3.065
  425    HZ   PHE  52           HZ       PHE  52  -9.442  -6.176  -4.935
  426    H    LEU  53           H        LEU  53  -0.772  -7.004  -5.773
  427    HA   LEU  53           HA       LEU  53   0.426  -4.834  -4.572
  428   1HB   LEU  53          1HB       LEU  53   1.270  -7.258  -4.727
  429   2HB   LEU  53          2HB       LEU  53   2.054  -6.805  -6.216
  430    HG   LEU  53           HG       LEU  53   2.499  -5.612  -3.432
  431   1HD1  LEU  53          1HD1      LEU  53   3.299  -7.947  -3.703
  432   2HD1  LEU  53          2HD1      LEU  53   4.284  -7.440  -5.093
  433   3HD1  LEU  53          3HD1      LEU  53   4.635  -6.810  -3.474
  434   1HD2  LEU  53          1HD2      LEU  53   3.986  -4.976  -6.015
  435   2HD2  LEU  53          2HD2      LEU  53   3.150  -3.843  -4.914
  436   3HD2  LEU  53          3HD2      LEU  53   4.606  -4.640  -4.387
  437    H    ARG  54           H        ARG  54   1.013  -5.790  -7.966
  438    HA   ARG  54           HA       ARG  54   2.587  -3.646  -8.765
  439   1HB   ARG  54          1HB       ARG  54   1.796  -5.831 -10.009
  440   2HB   ARG  54          2HB       ARG  54   0.424  -4.862 -10.522
  441   1HG   ARG  54          1HG       ARG  54   1.825  -4.667 -12.323
  442   2HG   ARG  54          2HG       ARG  54   2.246  -3.202 -11.452
  443   1HD   ARG  54          1HD       ARG  54   3.761  -5.876 -11.388
  444   2HD   ARG  54          2HD       ARG  54   4.222  -4.484 -12.357
  445    HE   ARG  54           HE       ARG  54   4.921  -4.952  -9.641
  446   1HH1  ARG  54          2HH2      ARG  54   4.210  -2.324 -11.943
  447   2HH1  ARG  54          1HH2      ARG  54   5.090  -1.156 -11.064
  448   1HH2  ARG  54          2HH1      ARG  54   6.089  -3.236  -8.365
  449   2HH2  ARG  54          1HH1      ARG  54   6.032  -1.679  -9.065
  450    H    ARG  55           H        ARG  55  -1.014  -3.561  -8.311
  451    HA   ARG  55           HA       ARG  55  -1.283  -1.000  -9.595
  452   1HB   ARG  55          1HB       ARG  55  -3.126  -2.752  -7.967
  453   2HB   ARG  55          2HB       ARG  55  -3.524  -1.150  -8.527
  454   1HG   ARG  55          1HG       ARG  55  -2.512  -2.266 -10.857
  455   2HG   ARG  55          2HG       ARG  55  -3.216  -3.674 -10.067
  456   1HD   ARG  55          1HD       ARG  55  -4.865  -2.876 -11.462
  457   2HD   ARG  55          2HD       ARG  55  -5.341  -2.218  -9.872
  458    HE   ARG  55           HE       ARG  55  -4.138  -0.108 -10.666
  459   1HH1  ARG  55          2HH2      ARG  55  -5.867  -2.151 -13.014
  460   2HH1  ARG  55          1HH2      ARG  55  -6.239  -0.831 -14.057
  461   1HH2  ARG  55          2HH1      ARG  55  -4.716   1.609 -11.960
  462   2HH2  ARG  55          1HH1      ARG  55  -5.516   1.371 -13.466
  463    H    ILE  56           H        ILE  56  -0.952  -2.222  -6.182
  464    HA   ILE  56           HA       ILE  56  -1.283   0.339  -4.929
  465    HB   ILE  56           HB       ILE  56   0.031  -2.278  -4.209
  466   1HG1  ILE  56          1HG1      ILE  56  -1.638  -2.589  -2.671
  467   2HG1  ILE  56          2HG1      ILE  56  -1.925  -0.877  -2.431
  468   1HG2  ILE  56          3HG2      ILE  56   0.251   0.202  -2.474
  469   2HG2  ILE  56          1HG2      ILE  56   0.614  -1.461  -1.960
  470   3HG2  ILE  56          2HG2      ILE  56   1.590  -0.705  -3.209
  471   1HD1  ILE  56          2HD1      ILE  56  -2.840  -2.397  -4.886
  472   2HD1  ILE  56          3HD1      ILE  56  -3.835  -2.011  -3.481
  473   3HD1  ILE  56          1HD1      ILE  56  -3.188  -0.709  -4.498
  474    H    SER  57           H        SER  57   1.526  -1.104  -6.634
  475    HA   SER  57           HA       SER  57   3.282   0.902  -5.733
  476   1HB   SER  57          1HB       SER  57   3.864  -1.331  -6.878
  477   2HB   SER  57          2HB       SER  57   3.610  -0.465  -8.414
  478    HG   SER  57           HG       SER  57   5.608   0.176  -8.098
  479    H    TRP  58           H        TRP  58   1.470   0.704  -8.852
  480    HA   TRP  58           HA       TRP  58   2.052   3.242  -9.886
  481   1HB   TRP  58          1HB       TRP  58   0.750   2.201 -11.413
  482   2HB   TRP  58          2HB       TRP  58  -0.097   1.252 -10.214
  483    HD1  TRP  58           HD1      TRP  58  -0.256   4.967 -11.380
  484    HE1  TRP  58           HE1      TRP  58  -2.634   5.772 -11.269
  485    HE3  TRP  58           HE3      TRP  58  -2.430   0.796  -9.431
  486    HZ2  TRP  58           HZ2      TRP  58  -5.349   4.492 -10.938
  487    HZ3  TRP  58           HZ3      TRP  58  -4.798   0.743  -8.953
  488    HH2  TRP  58           HH2      TRP  58  -6.306   2.493  -9.725
  489    H    ASP  59           H        ASP  59  -0.489   2.374  -7.538
  490    HA   ASP  59           HA       ASP  59  -1.432   4.996  -7.214
  491   1HB   ASP  59          1HB       ASP  59  -1.818   2.489  -5.615
  492   2HB   ASP  59          2HB       ASP  59  -2.246   3.984  -4.887
  493    HD2  ASP  59           HD2      ASP  59  -5.170   2.973  -7.032
  494    H    ILE  60           H        ILE  60   1.193   3.535  -5.219
  495    HA   ILE  60           HA       ILE  60   1.508   6.038  -3.786
  496    HB   ILE  60           HB       ILE  60   3.200   3.569  -4.079
  497   1HG1  ILE  60          1HG1      ILE  60   3.146   3.788  -1.524
  498   2HG1  ILE  60          2HG1      ILE  60   1.973   5.079  -1.722
  499   1HG2  ILE  60          2HG2      ILE  60   4.159   6.162  -2.800
  500   2HG2  ILE  60          3HG2      ILE  60   4.927   4.571  -2.623
  501   3HG2  ILE  60          1HG2      ILE  60   4.877   5.332  -4.202
  502   1HD1  ILE  60          3HD1      ILE  60   1.654   2.208  -2.672
  503   2HD1  ILE  60          1HD1      ILE  60   1.017   2.864  -1.161
  504   3HD1  ILE  60          2HD1      ILE  60   0.392   3.479  -2.709
  505    H    LEU  61           H        LEU  61   3.245   4.691  -6.638
  506    HA   LEU  61           HA       LEU  61   5.008   6.785  -7.028
  507   1HB   LEU  61          1HB       LEU  61   3.639   5.003  -9.073
  508   2HB   LEU  61          2HB       LEU  61   4.987   6.062  -9.471
  509    HG   LEU  61           HG       LEU  61   5.211   3.914  -7.325
  510   1HD1  LEU  61          1HD1      LEU  61   4.608   2.845  -9.464
  511   2HD1  LEU  61          2HD1      LEU  61   5.918   3.721 -10.288
  512   3HD1  LEU  61          3HD1      LEU  61   6.282   2.517  -9.039
  513   1HD2  LEU  61          1HD2      LEU  61   6.957   5.716  -7.293
  514   2HD2  LEU  61          2HD2      LEU  61   7.590   4.115  -7.666
  515   3HD2  LEU  61          3HD2      LEU  61   7.369   5.305  -8.967
  516    H    THR  62           H        THR  62   1.619   6.686  -8.154
  517    HA   THR  62           HA       THR  62   1.911   9.269  -9.529
  518    HB   THR  62           HB       THR  62  -0.595   9.051  -9.827
  519    HG1  THR  62           HG1      THR  62  -0.112   6.432  -8.824
  520   1HG2  THR  62          1HG2      THR  62   1.029   8.420 -11.551
  521   2HG2  THR  62          2HG2      THR  62   1.156   6.789 -10.868
  522   3HG2  THR  62          3HG2      THR  62  -0.382   7.357 -11.572
  523    H    GLY  63           H        GLY  63   2.298   8.824  -6.485
  524   1HA   GLY  63          1HA       GLY  63   1.864   9.727  -4.492
  525   2HA   GLY  63          2HA       GLY  63   1.845  11.258  -5.387
  526    H    LYS  64           H        LYS  64  -0.472   8.470  -5.384
  527    HA   LYS  64           HA       LYS  64  -2.624  10.459  -5.199
  528   1HB   LYS  64          1HB       LYS  64  -2.590   8.580  -6.826
  529   2HB   LYS  64          2HB       LYS  64  -2.727   7.413  -5.522
  530   1HG   LYS  64          1HG       LYS  64  -4.936   8.552  -4.892
  531   2HG   LYS  64          2HG       LYS  64  -4.748   9.561  -6.331
  532   1HD   LYS  64          1HD       LYS  64  -5.044   6.531  -6.240
  533   2HD   LYS  64          2HD       LYS  64  -6.253   7.688  -6.792
  534   1HE   LYS  64          1HE       LYS  64  -4.827   8.316  -8.713
  535   2HE   LYS  64          2HE       LYS  64  -3.532   7.257  -8.120
  536   1HZ   LYS  64          1HZ       LYS  64  -6.207   6.243  -8.926
  537   2HZ   LYS  64          2HZ       LYS  64  -4.827   6.168  -9.824
  538   3HZ   LYS  64          3HZ       LYS  64  -4.958   5.375  -8.400
  539    H    LYS  65           H        LYS  65  -4.081  10.476  -3.423
  540    HA   LYS  65           HA       LYS  65  -2.618   9.920  -0.921
  541   1HB   LYS  65          1HB       LYS  65  -5.260  11.305  -1.437
  542   2HB   LYS  65          2HB       LYS  65  -4.583  11.105   0.173
  543   1HG   LYS  65          1HG       LYS  65  -3.296  12.602  -2.159
  544   2HG   LYS  65          2HG       LYS  65  -3.982  13.279  -0.701
  545   1HD   LYS  65          1HD       LYS  65  -1.908  13.388   0.045
  546   2HD   LYS  65          2HD       LYS  65  -2.025  11.690   0.429
  547   1HE   LYS  65          1HE       LYS  65  -1.085  12.491  -2.355
  548   2HE   LYS  65          2HE       LYS  65  -0.039  12.865  -0.991
  549   1HZ   LYS  65          2HZ       LYS  65  -0.092  10.453  -0.401
  550   2HZ   LYS  65          3HZ       LYS  65  -0.839  10.140  -1.817
  551   3HZ   LYS  65          1HZ       LYS  65   0.640  10.814  -1.809
  552    HA   PRO  66           HA       PRO  66  -3.863   6.037   0.158
  553   1HB   PRO  66          1HB       PRO  66  -4.501   6.105   2.872
  554   2HB   PRO  66          2HB       PRO  66  -2.852   6.182   2.193
  555   1HG   PRO  66          1HG       PRO  66  -4.616   8.510   2.998
  556   2HG   PRO  66          2HG       PRO  66  -2.896   8.232   3.396
  557   1HD   PRO  66          1HD       PRO  66  -3.489   9.846   1.403
  558   2HD   PRO  66          2HD       PRO  66  -2.202   8.629   1.163
  559    H    GLN  67           H        GLN  67  -6.298   8.055   1.885
  560    HA   GLN  67           HA       GLN  67  -8.226   5.992   1.837
  561   1HB   GLN  67          1HB       GLN  67  -8.055   8.091   3.292
  562   2HB   GLN  67          2HB       GLN  67  -8.863   8.966   1.986
  563   1HG   GLN  67          1HG       GLN  67 -10.854   7.606   2.227
  564   2HG   GLN  67          2HG       GLN  67 -10.009   6.439   3.255
  565   1HE2  GLN  67          2HE2      GLN  67 -11.856   9.451   5.097
  566   2HE2  GLN  67          1HE2      GLN  67 -12.206   8.971   3.452
  567    H    ALA  68           H        ALA  68  -7.375   8.347  -0.643
  568    HA   ALA  68           HA       ALA  68  -9.736   7.798  -2.306
  569   1HB   ALA  68          3HB       ALA  68  -8.615  10.018  -2.381
  570   2HB   ALA  68          1HB       ALA  68  -7.099   9.244  -2.911
  571   3HB   ALA  68          2HB       ALA  68  -8.536   9.199  -3.951
  572    H    ILE  69           H        ILE  69  -6.220   6.772  -2.227
  573    HA   ILE  69           HA       ILE  69  -6.224   5.156  -4.532
  574    HB   ILE  69           HB       ILE  69  -4.813   4.925  -1.847
  575   1HG1  ILE  69          1HG1      ILE  69  -3.758   5.409  -4.646
  576   2HG1  ILE  69          2HG1      ILE  69  -4.237   6.692  -3.596
  577   1HG2  ILE  69          1HG2      ILE  69  -4.680   2.937  -4.137
  578   2HG2  ILE  69          2HG2      ILE  69  -3.389   3.080  -2.937
  579   3HG2  ILE  69          3HG2      ILE  69  -5.001   2.615  -2.433
  580   1HD1  ILE  69          3HD1      ILE  69  -2.061   4.717  -2.761
  581   2HD1  ILE  69          1HD1      ILE  69  -1.767   6.243  -3.573
  582   3HD1  ILE  69          2HD1      ILE  69  -2.540   6.231  -1.978
  583    H    CYS  70           H        CYS  70  -7.283   4.357  -1.222
  584    HA   CYS  70           HA       CYS  70  -8.108   1.715  -1.924
  585   1HB   CYS  70          1HB       CYS  70  -8.993   3.570   0.301
  586   2HB   CYS  70          2HB       CYS  70  -9.284   1.806   0.232
  587    H    VAL  71           H        VAL  71 -10.094   4.832  -2.157
  588    HA   VAL  71           HA       VAL  71 -12.373   3.164  -2.907
  589    HB   VAL  71           HB       VAL  71 -12.089   6.146  -3.413
  590   1HG1  VAL  71          3HG1      VAL  71 -14.484   4.184  -3.270
  591   2HG1  VAL  71          1HG1      VAL  71 -14.647   5.958  -3.384
  592   3HG1  VAL  71          2HG1      VAL  71 -13.930   5.051  -4.709
  593   1HG2  VAL  71          1HG2      VAL  71 -11.922   5.700  -0.987
  594   2HG2  VAL  71          2HG2      VAL  71 -13.445   6.473  -1.404
  595   3HG2  VAL  71          3HG2      VAL  71 -13.406   4.749  -1.072
  596    H    ASP  72           H        ASP  72  -9.763   4.809  -4.658
  597    HA   ASP  72           HA       ASP  72 -10.474   4.781  -7.299
  598   1HB   ASP  72          1HB       ASP  72  -8.575   5.886  -6.498
  599   2HB   ASP  72          2HB       ASP  72  -7.896   4.470  -5.781
  600    H    ILE  73           H        ILE  73  -8.731   2.046  -5.710
  601    HA   ILE  73           HA       ILE  73  -9.575   0.331  -8.002
  602    HB   ILE  73           HB       ILE  73  -8.121  -1.401  -6.836
  603   1HG1  ILE  73          1HG1      ILE  73  -7.032   1.086  -5.443
  604   2HG1  ILE  73          2HG1      ILE  73  -8.029  -0.138  -4.632
  605   1HG2  ILE  73          3HG2      ILE  73  -7.572  -0.155  -8.914
  606   2HG2  ILE  73          1HG2      ILE  73  -6.770   1.071  -7.907
  607   3HG2  ILE  73          2HG2      ILE  73  -6.171  -0.615  -7.947
  608   1HD1  ILE  73          1HD1      ILE  73  -6.274  -1.819  -5.296
  609   2HD1  ILE  73          2HD1      ILE  73  -5.285  -0.438  -5.863
  610   3HD1  ILE  73          3HD1      ILE  73  -5.749  -0.544  -4.150
  611    H    LYS  74           H        LYS  74 -10.911   1.250  -5.244
  612    HA   LYS  74           HA       LYS  74 -12.895   0.838  -4.323
  613   1HB   LYS  74          1HB       LYS  74 -13.655   0.189  -6.601
  614   2HB   LYS  74          2HB       LYS  74 -13.302  -1.495  -6.187
  615   1HG   LYS  74          1HG       LYS  74 -14.773  -0.866  -4.009
  616   2HG   LYS  74          2HG       LYS  74 -15.373   0.406  -5.044
  617   1HD   LYS  74          1HD       LYS  74 -16.826  -1.592  -5.012
  618   2HD   LYS  74          2HD       LYS  74 -16.256  -1.203  -6.631
  619   1HE   LYS  74          1HE       LYS  74 -16.297  -3.658  -6.060
  620   2HE   LYS  74          2HE       LYS  74 -14.749  -3.056  -6.671
  621   1HZ   LYS  74          2HZ       LYS  74 -15.281  -3.385  -3.764
  622   2HZ   LYS  74          3HZ       LYS  74 -14.565  -4.536  -4.684
  623   3HZ   LYS  74          1HZ       LYS  74 -13.877  -3.065  -4.445
  624    H    ILE  75           H        ILE  75 -11.553   0.488  -2.674
  625    HA   ILE  75           HA       ILE  75 -11.925  -2.026  -1.170
  626    HB   ILE  75           HB       ILE  75  -9.379  -0.338  -1.247
  627   1HG1  ILE  75          1HG1      ILE  75  -9.945  -3.020  -2.596
  628   2HG1  ILE  75          2HG1      ILE  75  -9.577  -1.489  -3.395
  629   1HG2  ILE  75          3HG2      ILE  75  -9.785  -1.479   0.892
  630   2HG2  ILE  75          1HG2      ILE  75  -9.961  -3.032   0.040
  631   3HG2  ILE  75          2HG2      ILE  75  -8.403  -2.178   0.072
  632   1HD1  ILE  75          1HD1      ILE  75  -7.328  -1.509  -2.232
  633   2HD1  ILE  75          2HD1      ILE  75  -7.691  -3.207  -1.817
  634   3HD1  ILE  75          3HD1      ILE  75  -7.609  -2.719  -3.509
  635    H    CYS  76           H        CYS  76 -11.958   1.500  -1.379
  636    HA   CYS  76           HA       CYS  76 -12.855   1.599   1.417
  637   1HB   CYS  76          1HB       CYS  76 -10.765   2.792   1.353
  638   2HB   CYS  76          2HB       CYS  76 -11.362   3.807   0.033
  639    H    LYS  77           H        LYS  77 -14.284   3.604   1.710
  640    HA   LYS  77           HA       LYS  77 -16.422   4.254   1.550
  641   1HB   LYS  77          1HB       LYS  77 -15.442   5.808  -0.092
  642   2HB   LYS  77          2HB       LYS  77 -15.779   4.668  -1.394
  643   1HG   LYS  77          1HG       LYS  77 -18.166   5.311   0.240
  644   2HG   LYS  77          2HG       LYS  77 -17.435   6.741  -0.456
  645   1HD   LYS  77          1HD       LYS  77 -17.913   6.180  -2.622
  646   2HD   LYS  77          2HD       LYS  77 -17.823   4.441  -2.361
  647   1HE   LYS  77          1HE       LYS  77 -20.051   6.097  -1.132
  648   2HE   LYS  77          2HE       LYS  77 -20.159   5.522  -2.803
  649   1HZ   LYS  77          3HZ       LYS  77 -19.581   3.652  -0.602
  650   2HZ   LYS  77          1HZ       LYS  77 -21.144   4.021  -1.031
  651   3HZ   LYS  77          2HZ       LYS  77 -20.096   3.304  -2.086
  652    H    GLU  78           H        GLU  78 -15.625   1.464   1.294
  653    HA   GLU  78           HA       GLU  78 -17.734   0.350  -0.280
  654   1HB   GLU  78          1HB       GLU  78 -15.448  -0.910   1.337
  655   2HB   GLU  78          2HB       GLU  78 -16.738  -1.850   0.593
  656   1HG   GLU  78          1HG       GLU  78 -16.038  -0.685  -1.635
  657   2HG   GLU  78          2HG       GLU  78 -14.549  -0.289  -0.782
   
  No H/Q in entry =         657
  Start of MODEL   10
    1   1H    GLY   1          3H        GLY   1 -17.058  -0.059   4.650
    2   2H    GLY   1          1H        GLY   1 -16.160  -0.756   3.481
    3   3H    GLY   1          2H        GLY   1 -17.744  -1.165   3.631
    4   1HA   GLY   1          1HA       GLY   1 -17.356  -2.181   5.777
    5   2HA   GLY   1          2HA       GLY   1 -16.326  -2.905   4.521
    6    H    TYR   2           H        TYR   2 -15.414  -3.224   7.159
    7    HA   TYR   2           HA       TYR   2 -13.753  -1.247   8.193
    8   1HB   TYR   2          1HB       TYR   2 -14.139  -3.310   9.412
    9   2HB   TYR   2          2HB       TYR   2 -13.343  -4.258   8.154
   10    HD1  TYR   2           HD2      TYR   2 -12.494  -1.177  10.211
   11    HD2  TYR   2           HD1      TYR   2 -11.186  -5.041   8.784
   12    HE1  TYR   2           HE2      TYR   2 -10.247  -0.738  11.086
   13    HE2  TYR   2           HE1      TYR   2  -8.927  -4.607   9.699
   14    HH   TYR   2           HH       TYR   2  -8.075  -1.292  10.745
   15    H    PHE   3           H        PHE   3 -13.173  -3.367   5.433
   16    HA   PHE   3           HA       PHE   3 -10.613  -3.088   4.730
   17   1HB   PHE   3          1HB       PHE   3 -13.109  -2.863   3.041
   18   2HB   PHE   3          2HB       PHE   3 -11.514  -2.734   2.328
   19    HD1  PHE   3           HD2      PHE   3  -9.806  -4.532   2.655
   20    HD2  PHE   3           HD1      PHE   3 -14.031  -5.093   3.318
   21    HE1  PHE   3           HE2      PHE   3  -9.535  -6.975   2.307
   22    HE2  PHE   3           HE1      PHE   3 -13.758  -7.530   2.970
   23    HZ   PHE   3           HZ       PHE   3 -11.526  -8.471   2.455
   24    H    CYS   4           H        CYS   4 -12.903  -0.305   4.586
   25    HA   CYS   4           HA       CYS   4 -11.235   1.394   3.042
   26   1HB   CYS   4          1HB       CYS   4 -13.696   1.744   3.816
   27   2HB   CYS   4          2HB       CYS   4 -13.015   2.349   5.317
   28    H    GLU   5           H        GLU   5 -11.441   0.954   6.610
   29    HA   GLU   5           HA       GLU   5  -9.327   2.820   7.264
   30   1HB   GLU   5          1HB       GLU   5 -11.241   1.973   8.754
   31   2HB   GLU   5          2HB       GLU   5 -10.353   0.465   8.910
   32   1HG   GLU   5          1HG       GLU   5  -9.340   3.238   9.688
   33   2HG   GLU   5          2HG       GLU   5 -10.043   2.072  10.802
   34    H    SER   6           H        SER   6  -9.575  -0.771   6.890
   35    HA   SER   6           HA       SER   6  -6.952  -1.421   7.540
   36   1HB   SER   6          1HB       SER   6  -8.335  -2.745   5.185
   37   2HB   SER   6          2HB       SER   6  -7.296  -3.455   6.419
   38    HG   SER   6           HG       SER   6  -9.143  -2.846   7.901
   39    H    CYS   7           H        CYS   7  -8.254  -0.528   4.359
   40    HA   CYS   7           HA       CYS   7  -5.905  -0.652   2.780
   41   1HB   CYS   7          1HB       CYS   7  -8.103  -0.713   1.858
   42   2HB   CYS   7          2HB       CYS   7  -8.556   0.813   2.591
   43    H    ARG   8           H        ARG   8  -7.565   2.156   4.374
   44    HA   ARG   8           HA       ARG   8  -5.680   4.082   3.616
   45   1HB   ARG   8          1HB       ARG   8  -7.878   4.584   4.581
   46   2HB   ARG   8          2HB       ARG   8  -7.396   3.950   6.149
   47   1HG   ARG   8          1HG       ARG   8  -5.713   6.151   4.970
   48   2HG   ARG   8          2HG       ARG   8  -7.342   6.577   5.490
   49   1HD   ARG   8          1HD       ARG   8  -6.906   5.906   7.759
   50   2HD   ARG   8          2HD       ARG   8  -5.391   5.141   7.315
   51    HE   ARG   8           HE       ARG   8  -4.330   7.238   7.089
   52   1HH1  ARG   8          2HH2      ARG   8  -7.729   7.757   8.011
   53   2HH1  ARG   8          1HH2      ARG   8  -7.492   9.418   8.400
   54   1HH2  ARG   8          2HH1      ARG   8  -4.032   9.363   7.509
   55   2HH2  ARG   8          1HH1      ARG   8  -5.277  10.372   8.173
   56    H    LYS   9           H        LYS   9  -5.673   1.954   6.495
   57    HA   LYS   9           HA       LYS   9  -3.252   2.951   7.602
   58   1HB   LYS   9          1HB       LYS   9  -5.075   1.385   8.617
   59   2HB   LYS   9          2HB       LYS   9  -4.194   0.065   7.840
   60   1HG   LYS   9          1HG       LYS   9  -2.100   0.970   9.070
   61   2HG   LYS   9          2HG       LYS   9  -3.214   1.990   9.981
   62   1HD   LYS   9          1HD       LYS   9  -2.998  -1.030   9.944
   63   2HD   LYS   9          2HD       LYS   9  -2.754   0.046  11.311
   64   1HE   LYS   9          1HE       LYS   9  -5.414  -0.576   9.940
   65   2HE   LYS   9          2HE       LYS   9  -4.866  -1.237  11.481
   66   1HZ   LYS   9          2HZ       LYS   9  -5.017   1.052  12.387
   67   2HZ   LYS   9          3HZ       LYS   9  -5.589   1.570  10.892
   68   3HZ   LYS   9          1HZ       LYS   9  -6.439   0.549  11.671
   69    H    ILE  10           H        ILE  10  -3.827   0.192   5.357
   70    HA   ILE  10           HA       ILE  10  -1.128  -0.671   5.244
   71    HB   ILE  10           HB       ILE  10  -3.495  -1.151   3.438
   72   1HG1  ILE  10          1HG1      ILE  10  -1.983  -3.097   5.246
   73   2HG1  ILE  10          2HG1      ILE  10  -3.227  -2.064   5.910
   74   1HG2  ILE  10          2HG2      ILE  10  -0.742  -2.482   3.306
   75   2HG2  ILE  10          3HG2      ILE  10  -2.178  -3.038   2.431
   76   3HG2  ILE  10          1HG2      ILE  10  -1.471  -1.475   2.041
   77   1HD1  ILE  10          1HD1      ILE  10  -3.735  -4.009   3.629
   78   2HD1  ILE  10          2HD1      ILE  10  -4.074  -4.311   5.335
   79   3HD1  ILE  10          3HD1      ILE  10  -4.928  -3.019   4.468
   80    H    ILE  11           H        ILE  11  -2.913   1.527   3.014
   81    HA   ILE  11           HA       ILE  11  -0.637   2.068   1.357
   82    HB   ILE  11           HB       ILE  11  -3.171   3.646   1.984
   83   1HG1  ILE  11          1HG1      ILE  11  -3.729   1.637   0.784
   84   2HG1  ILE  11          2HG1      ILE  11  -3.896   3.008  -0.297
   85   1HG2  ILE  11          2HG2      ILE  11  -1.087   4.306  -0.129
   86   2HG2  ILE  11          3HG2      ILE  11  -2.689   5.033  -0.003
   87   3HG2  ILE  11          1HG2      ILE  11  -1.516   5.288   1.274
   88   1HD1  ILE  11          1HD1      ILE  11  -1.725   2.405  -1.370
   89   2HD1  ILE  11          2HD1      ILE  11  -1.607   0.995  -0.285
   90   3HD1  ILE  11          3HD1      ILE  11  -2.927   1.108  -1.452
   91    H    GLN  12           H        GLN  12  -1.993   3.961   4.149
   92    HA   GLN  12           HA       GLN  12   0.013   5.932   3.994
   93   1HB   GLN  12          1HB       GLN  12  -1.723   4.997   6.312
   94   2HB   GLN  12          2HB       GLN  12  -0.570   6.318   6.458
   95   1HG   GLN  12          1HG       GLN  12  -2.089   6.738   4.023
   96   2HG   GLN  12          2HG       GLN  12  -3.211   6.429   5.350
   97   1HE2  GLN  12          2HE2      GLN  12  -0.754   9.774   5.460
   98   2HE2  GLN  12          1HE2      GLN  12  -0.486   8.531   4.268
   99    H    LYS  13           H        LYS  13   0.111   2.769   5.758
  100    HA   LYS  13           HA       LYS  13   2.562   3.645   6.970
  101   1HB   LYS  13          1HB       LYS  13   0.990   1.835   7.912
  102   2HB   LYS  13          2HB       LYS  13   1.794   0.747   6.768
  103   1HG   LYS  13          1HG       LYS  13   2.938   0.525   8.887
  104   2HG   LYS  13          2HG       LYS  13   4.022   1.418   7.825
  105   1HD   LYS  13          1HD       LYS  13   3.148   3.573   8.883
  106   2HD   LYS  13          2HD       LYS  13   2.202   2.586   9.998
  107   1HE   LYS  13          1HE       LYS  13   4.215   1.743  11.031
  108   2HE   LYS  13          2HE       LYS  13   5.202   2.337   9.673
  109   1HZ   LYS  13          2HZ       LYS  13   3.750   4.244  11.397
  110   2HZ   LYS  13          3HZ       LYS  13   5.325   3.816  11.663
  111   3HZ   LYS  13          1HZ       LYS  13   4.898   4.536  10.288
  112    H    LEU  14           H        LEU  14   1.814   2.263   3.802
  113    HA   LEU  14           HA       LEU  14   4.556   1.382   3.298
  114   1HB   LEU  14          1HB       LEU  14   2.297   0.754   2.027
  115   2HB   LEU  14          2HB       LEU  14   2.558   2.264   1.188
  116    HG   LEU  14           HG       LEU  14   4.364  -0.174   1.227
  117   1HD1  LEU  14          3HD1      LEU  14   2.702   1.164  -0.932
  118   2HD1  LEU  14          1HD1      LEU  14   3.818  -0.165  -1.222
  119   3HD1  LEU  14          2HD1      LEU  14   2.411  -0.413  -0.164
  120   1HD2  LEU  14          3HD2      LEU  14   4.972   2.478  -0.120
  121   2HD2  LEU  14          1HD2      LEU  14   5.949   1.600   1.083
  122   3HD2  LEU  14          2HD2      LEU  14   5.754   0.929  -0.518
  123    H    GLU  15           H        GLU  15   2.529   4.251   2.656
  124    HA   GLU  15           HA       GLU  15   4.330   5.937   1.348
  125   1HB   GLU  15          1HB       GLU  15   1.793   6.021   1.768
  126   2HB   GLU  15          2HB       GLU  15   2.149   6.653   3.367
  127   1HG   GLU  15          1HG       GLU  15   3.036   8.701   2.388
  128   2HG   GLU  15          2HG       GLU  15   2.836   8.018   0.761
  129    H    ASP  16           H        ASP  16   3.660   5.787   4.870
  130    HA   ASP  16           HA       ASP  16   5.785   7.274   5.921
  131   1HB   ASP  16          1HB       ASP  16   4.004   6.467   7.341
  132   2HB   ASP  16          2HB       ASP  16   4.195   4.831   6.763
  133    H    MET  17           H        MET  17   6.032   4.065   4.519
  134    HA   MET  17           HA       MET  17   8.679   3.627   5.762
  135   1HB   MET  17          1HB       MET  17   6.938   1.936   3.922
  136   2HB   MET  17          2HB       MET  17   8.623   1.526   4.307
  137   1HG   MET  17          1HG       MET  17   8.176   1.533   6.653
  138   2HG   MET  17          2HG       MET  17   6.543   2.134   6.434
  139   1HE   MET  17          3HE       MET  17   8.919  -0.492   6.779
  140   2HE   MET  17          1HE       MET  17   8.067  -2.021   6.528
  141   3HE   MET  17          2HE       MET  17   8.723  -1.111   5.123
  142    H    VAL  18           H        VAL  18   7.358   3.951   2.409
  143    HA   VAL  18           HA       VAL  18  10.035   3.838   1.357
  144    HB   VAL  18           HB       VAL  18   7.799   3.193   0.264
  145   1HG1  VAL  18          3HG1      VAL  18   6.614   5.315   0.441
  146   2HG1  VAL  18          1HG1      VAL  18   7.798   6.061  -0.659
  147   3HG1  VAL  18          2HG1      VAL  18   6.772   4.746  -1.239
  148   1HG2  VAL  18          1HG2      VAL  18  10.062   4.478  -1.228
  149   2HG2  VAL  18          2HG2      VAL  18   9.822   2.783  -0.756
  150   3HG2  VAL  18          3HG2      VAL  18   8.767   3.487  -1.977
  151    H    GLY  19           H        GLY  19   7.827   6.471   2.338
  152   1HA   GLY  19          1HA       GLY  19   8.360   8.551   3.006
  153   2HA   GLY  19          2HA       GLY  19  10.066   8.271   2.632
  154    HA   PRO  20           HA       PRO  20   8.531  11.174  -0.589
  155   1HB   PRO  20          1HB       PRO  20  10.906  12.227  -1.434
  156   2HB   PRO  20          2HB       PRO  20  10.226  12.597   0.178
  157   1HG   PRO  20          1HG       PRO  20  12.294  10.482  -0.525
  158   2HG   PRO  20          2HG       PRO  20  12.398  11.746   0.746
  159   1HD   PRO  20          1HD       PRO  20  11.559   9.196   1.262
  160   2HD   PRO  20          2HD       PRO  20  10.859  10.613   2.123
  161    H    GLN  21           H        GLN  21   9.344  11.622  -2.852
  162    HA   GLN  21           HA       GLN  21   8.468  10.163  -4.789
  163   1HB   GLN  21          1HB       GLN  21  11.104  11.642  -4.833
  164   2HB   GLN  21          2HB       GLN  21  10.327  11.011  -6.292
  165   1HG   GLN  21          1HG       GLN  21   8.389  12.405  -5.999
  166   2HG   GLN  21          2HG       GLN  21   8.883  12.880  -4.373
  167   1HE2  GLN  21          2HE2      GLN  21  11.106  14.554  -7.403
  168   2HE2  GLN  21          1HE2      GLN  21  10.659  12.863  -7.592
  169    HA   PRO  22           HA       PRO  22  11.002   6.419  -4.283
  170   1HB   PRO  22          1HB       PRO  22   9.141   4.560  -4.026
  171   2HB   PRO  22          2HB       PRO  22   9.298   5.854  -2.801
  172   1HG   PRO  22          1HG       PRO  22   7.349   5.813  -5.130
  173   2HG   PRO  22          2HG       PRO  22   6.986   6.020  -3.381
  174   1HD   PRO  22          1HD       PRO  22   7.411   8.156  -5.081
  175   2HD   PRO  22          2HD       PRO  22   7.838   8.186  -3.345
  176    H    ASN  23           H        ASN  23  10.571   4.067  -5.565
  177    HA   ASN  23           HA       ASN  23   9.745   4.520  -8.340
  178   1HB   ASN  23          1HB       ASN  23  11.725   3.558  -9.290
  179   2HB   ASN  23          2HB       ASN  23  12.251   4.889  -8.261
  180   1HD2  ASN  23          2HD2      ASN  23  13.912   2.718  -5.944
  181   2HD2  ASN  23          1HD2      ASN  23  13.603   4.376  -6.423
  182    H    GLU  24           H        GLU  24   9.498   2.429  -9.424
  183    HA   GLU  24           HA       GLU  24   7.632   0.817  -8.306
  184   1HB   GLU  24          1HB       GLU  24   8.130   1.047 -10.694
  185   2HB   GLU  24          2HB       GLU  24   9.678   0.271 -10.464
  186   1HG   GLU  24          1HG       GLU  24   8.415  -1.390 -11.448
  187   2HG   GLU  24          2HG       GLU  24   8.333  -1.861  -9.761
  188    H    ASP  25           H        ASP  25  11.183   0.131  -8.105
  189    HA   ASP  25           HA       ASP  25  10.740  -2.531  -6.980
  190   1HB   ASP  25          1HB       ASP  25  12.854  -2.229  -8.067
  191   2HB   ASP  25          2HB       ASP  25  13.209  -0.763  -7.136
  192    H    THR  26           H        THR  26  11.956   0.594  -5.709
  193    HA   THR  26           HA       THR  26  12.117  -0.259  -3.077
  194    HB   THR  26           HB       THR  26  11.621   2.588  -4.017
  195    HG1  THR  26           HG1      THR  26  13.771   0.781  -4.245
  196   1HG2  THR  26          1HG2      THR  26  11.748   2.246  -1.515
  197   2HG2  THR  26          2HG2      THR  26  13.336   1.505  -1.723
  198   3HG2  THR  26          3HG2      THR  26  13.081   3.213  -2.156
  199    H    VAL  27           H        VAL  27   9.245   1.007  -4.765
  200    HA   VAL  27           HA       VAL  27   7.621   1.090  -2.349
  201    HB   VAL  27           HB       VAL  27   6.706   0.814  -5.247
  202   1HG1  VAL  27          1HG1      VAL  27   5.248   1.631  -2.685
  203   2HG1  VAL  27          2HG1      VAL  27   4.605   1.858  -4.310
  204   3HG1  VAL  27          3HG1      VAL  27   4.897   0.217  -3.709
  205   1HG2  VAL  27          3HG2      VAL  27   6.976   3.315  -3.518
  206   2HG2  VAL  27          1HG2      VAL  27   7.972   2.913  -4.925
  207   3HG2  VAL  27          2HG2      VAL  27   6.268   3.239  -5.152
  208    H    THR  28           H        THR  28   8.266  -1.425  -4.868
  209    HA   THR  28           HA       THR  28   6.403  -3.339  -3.899
  210    HB   THR  28           HB       THR  28   8.929  -3.556  -5.588
  211    HG1  THR  28           HG1      THR  28   7.490  -2.527  -6.716
  212   1HG2  THR  28          1HG2      THR  28   6.836  -5.675  -4.985
  213   2HG2  THR  28          2HG2      THR  28   7.970  -5.731  -6.358
  214   3HG2  THR  28          3HG2      THR  28   8.585  -5.768  -4.701
  215    H    GLN  29           H        GLN  29   9.953  -2.927  -3.164
  216    HA   GLN  29           HA       GLN  29   9.884  -5.140  -1.320
  217   1HB   GLN  29          1HB       GLN  29  12.030  -4.268  -0.441
  218   2HB   GLN  29          2HB       GLN  29  12.008  -4.661  -2.156
  219   1HG   GLN  29          1HG       GLN  29  12.090  -2.409  -2.815
  220   2HG   GLN  29          2HG       GLN  29  11.716  -1.806  -1.188
  221   1HE2  GLN  29          2HE2      GLN  29  15.563  -2.351  -2.185
  222   2HE2  GLN  29          1HE2      GLN  29  14.288  -2.363  -3.390
  223    H    ALA  30           H        ALA  30   9.654  -1.542  -0.806
  224    HA   ALA  30           HA       ALA  30   9.376  -1.621   1.969
  225   1HB   ALA  30          2HB       ALA  30   8.063   0.304   0.010
  226   2HB   ALA  30          3HB       ALA  30   8.223   0.555   1.760
  227   3HB   ALA  30          1HB       ALA  30   9.674   0.476   0.746
  228    H    ALA  31           H        ALA  31   6.901  -2.246  -0.519
  229    HA   ALA  31           HA       ALA  31   4.678  -2.492   1.284
  230   1HB   ALA  31          1HB       ALA  31   4.404  -2.260  -1.198
  231   2HB   ALA  31          2HB       ALA  31   5.165  -3.833  -1.445
  232   3HB   ALA  31          3HB       ALA  31   3.616  -3.738  -0.612
  233    H    SER  32           H        SER  32   7.026  -4.984  -0.004
  234    HA   SER  32           HA       SER  32   5.713  -7.154   1.391
  235   1HB   SER  32          1HB       SER  32   7.627  -8.445   0.887
  236   2HB   SER  32          2HB       SER  32   7.476  -7.325  -0.470
  237    HG   SER  32           HG       SER  32   9.116  -6.007   0.716
  238    H    GLN  33           H        GLN  33   7.991  -4.712   2.540
  239    HA   GLN  33           HA       GLN  33   7.906  -5.895   5.228
  240   1HB   GLN  33          1HB       GLN  33   9.263  -3.459   4.039
  241   2HB   GLN  33          2HB       GLN  33   9.144  -3.710   5.783
  242   1HG   GLN  33          1HG       GLN  33  11.280  -4.499   5.034
  243   2HG   GLN  33          2HG       GLN  33  10.317  -5.835   5.664
  244   1HE2  GLN  33          2HE2      GLN  33  10.346  -7.510   2.524
  245   2HE2  GLN  33          1HE2      GLN  33  10.003  -7.673   4.260
  246    H    VAL  34           H        VAL  34   5.995  -3.430   3.446
  247    HA   VAL  34           HA       VAL  34   4.985  -2.096   5.663
  248    HB   VAL  34           HB       VAL  34   4.522  -1.565   3.222
  249   1HG1  VAL  34          3HG1      VAL  34   2.934  -3.711   2.784
  250   2HG1  VAL  34          1HG1      VAL  34   1.767  -2.673   3.527
  251   3HG1  VAL  34          2HG1      VAL  34   2.608  -2.116   2.083
  252   1HG2  VAL  34          1HG2      VAL  34   2.478  -1.235   5.383
  253   2HG2  VAL  34          2HG2      VAL  34   3.878  -0.190   4.959
  254   3HG2  VAL  34          3HG2      VAL  34   2.496  -0.347   3.851
  255    H    CYS  35           H        CYS  35   4.026  -5.113   4.192
  256    HA   CYS  35           HA       CYS  35   1.911  -5.714   6.051
  257   1HB   CYS  35          1HB       CYS  35   3.574  -7.634   4.394
  258   2HB   CYS  35          2HB       CYS  35   2.015  -7.957   5.164
  259    H    ASP  36           H        ASP  36   5.472  -6.620   5.942
  260    HA   ASP  36           HA       ASP  36   5.286  -8.026   8.399
  261   1HB   ASP  36          1HB       ASP  36   7.372  -8.006   7.008
  262   2HB   ASP  36          2HB       ASP  36   7.786  -6.468   7.803
  263    H    LYS  37           H        LYS  37   5.777  -4.519   7.961
  264    HA   LYS  37           HA       LYS  37   6.188  -3.901  10.720
  265   1HB   LYS  37          1HB       LYS  37   6.860  -2.619   8.601
  266   2HB   LYS  37          2HB       LYS  37   5.205  -2.041   8.496
  267   1HG   LYS  37          1HG       LYS  37   5.515  -0.827  10.662
  268   2HG   LYS  37          2HG       LYS  37   7.159  -1.490  10.787
  269   1HD   LYS  37          1HD       LYS  37   7.694  -0.421   8.584
  270   2HD   LYS  37          2HD       LYS  37   6.104   0.369   8.613
  271   1HE   LYS  37          1HE       LYS  37   6.875   1.520  10.711
  272   2HE   LYS  37          2HE       LYS  37   8.478   0.833  10.461
  273   1HZ   LYS  37          3HZ       LYS  37   8.517   2.076   8.305
  274   2HZ   LYS  37          1HZ       LYS  37   7.101   2.812   8.670
  275   3HZ   LYS  37          2HZ       LYS  37   8.395   3.079   9.578
  276    H    LEU  38           H        LEU  38   3.287  -3.771   8.568
  277    HA   LEU  38           HA       LEU  38   1.539  -3.144  10.861
  278   1HB   LEU  38          1HB       LEU  38   0.923  -3.815   7.954
  279   2HB   LEU  38          2HB       LEU  38  -0.289  -3.502   9.191
  280    HG   LEU  38           HG       LEU  38   1.790  -1.493   8.231
  281   1HD1  LEU  38          2HD1      LEU  38  -1.221  -1.727   7.779
  282   2HD1  LEU  38          3HD1      LEU  38  -0.187  -0.387   7.242
  283   3HD1  LEU  38          1HD1      LEU  38   0.068  -2.009   6.580
  284   1HD2  LEU  38          3HD2      LEU  38  -0.484  -1.226  10.255
  285   2HD2  LEU  38          1HD2      LEU  38   1.251  -0.967  10.547
  286   3HD2  LEU  38          2HD2      LEU  38   0.360   0.151   9.517
  287    H    LYS  39           H        LYS  39   2.291  -4.972  12.147
  288    HA   LYS  39           HA       LYS  39   1.440  -7.598  11.100
  289   1HB   LYS  39          1HB       LYS  39   2.083  -8.538  13.305
  290   2HB   LYS  39          2HB       LYS  39   3.340  -7.979  12.238
  291   1HG   LYS  39          1HG       LYS  39   2.416  -6.061  14.363
  292   2HG   LYS  39          2HG       LYS  39   3.293  -7.497  14.904
  293   1HD   LYS  39          1HD       LYS  39   4.335  -5.638  12.739
  294   2HD   LYS  39          2HD       LYS  39   4.745  -5.449  14.441
  295   1HE   LYS  39          1HE       LYS  39   6.028  -7.444  14.493
  296   2HE   LYS  39          2HE       LYS  39   5.267  -8.087  13.038
  297   1HZ   LYS  39          2HZ       LYS  39   6.406  -6.401  11.733
  298   2HZ   LYS  39          3HZ       LYS  39   7.201  -5.847  13.077
  299   3HZ   LYS  39          1HZ       LYS  39   7.451  -7.349  12.451
  300    H    ILE  40           H        ILE  40  -0.128  -8.907  12.532
  301    HA   ILE  40           HA       ILE  40  -2.254  -9.252  13.202
  302    HB   ILE  40           HB       ILE  40  -2.490  -6.246  13.742
  303   1HG1  ILE  40          1HG1      ILE  40  -2.473  -8.638  15.630
  304   2HG1  ILE  40          2HG1      ILE  40  -1.045  -7.669  15.263
  305   1HG2  ILE  40          1HG2      ILE  40  -4.606  -8.377  14.155
  306   2HG2  ILE  40          2HG2      ILE  40  -4.688  -6.683  14.680
  307   3HG2  ILE  40          3HG2      ILE  40  -4.664  -7.052  12.975
  308   1HD1  ILE  40          3HD1      ILE  40  -2.204  -5.636  16.138
  309   2HD1  ILE  40          1HD1      ILE  40  -3.559  -6.674  16.652
  310   3HD1  ILE  40          2HD1      ILE  40  -1.951  -6.908  17.350
  311    H    LEU  41           H        LEU  41  -2.106  -6.172  11.324
  312    HA   LEU  41           HA       LEU  41  -4.158  -7.140   9.505
  313   1HB   LEU  41          1HB       LEU  41  -3.726  -4.743  10.428
  314   2HB   LEU  41          2HB       LEU  41  -2.455  -4.645   9.211
  315    HG   LEU  41           HG       LEU  41  -4.204  -5.041   7.436
  316   1HD1  LEU  41          2HD1      LEU  41  -6.132  -4.850   9.799
  317   2HD1  LEU  41          3HD1      LEU  41  -6.607  -4.719   8.101
  318   3HD1  LEU  41          1HD1      LEU  41  -5.944  -6.234   8.703
  319   1HD2  LEU  41          2HD2      LEU  41  -3.475  -2.760   8.173
  320   2HD2  LEU  41          3HD2      LEU  41  -5.114  -2.815   7.523
  321   3HD2  LEU  41          1HD2      LEU  41  -4.870  -2.725   9.280
  322    H    ARG  42           H        ARG  42  -1.104  -8.034   9.650
  323    HA   ARG  42           HA       ARG  42   0.161  -7.855   7.130
  324   1HB   ARG  42          1HB       ARG  42   1.149  -8.674   9.221
  325   2HB   ARG  42          2HB       ARG  42   0.126 -10.114   9.181
  326   1HG   ARG  42          1HG       ARG  42   1.251 -10.842   7.086
  327   2HG   ARG  42          2HG       ARG  42   2.277  -9.400   7.134
  328   1HD   ARG  42          1HD       ARG  42   2.166 -11.586   9.271
  329   2HD   ARG  42          2HD       ARG  42   3.402 -11.429   8.015
  330    HE   ARG  42           HE       ARG  42   3.038  -9.066   9.701
  331   1HH1  ARG  42          2HH2      ARG  42   5.097 -12.025   9.204
  332   2HH1  ARG  42          1HH2      ARG  42   6.483 -11.074   9.670
  333   1HH2  ARG  42          2HH1      ARG  42   4.916  -8.234  10.710
  334   2HH2  ARG  42          1HH1      ARG  42   6.339  -9.175  10.667
  335    H    GLY  43           H        GLY  43  -2.376 -10.140   8.234
  336   1HA   GLY  43          1HA       GLY  43  -2.373 -11.821   5.926
  337   2HA   GLY  43          2HA       GLY  43  -3.729 -11.571   7.040
  338    H    LEU  44           H        LEU  44  -4.322  -8.867   6.744
  339    HA   LEU  44           HA       LEU  44  -5.854  -9.017   4.341
  340   1HB   LEU  44          1HB       LEU  44  -6.487  -7.925   6.529
  341   2HB   LEU  44          2HB       LEU  44  -5.448  -6.566   6.107
  342    HG   LEU  44           HG       LEU  44  -7.560  -7.512   4.134
  343   1HD1  LEU  44          2HD1      LEU  44  -8.131  -5.763   6.565
  344   2HD1  LEU  44          3HD1      LEU  44  -9.235  -6.025   5.203
  345   3HD1  LEU  44          1HD1      LEU  44  -8.787  -7.379   6.244
  346   1HD2  LEU  44          2HD2      LEU  44  -5.992  -5.689   3.467
  347   2HD2  LEU  44          3HD2      LEU  44  -7.663  -5.126   3.544
  348   3HD2  LEU  44          1HD2      LEU  44  -6.529  -4.738   4.850
  349    H    CYS  45           H        CYS  45  -3.056  -6.931   5.322
  350    HA   CYS  45           HA       CYS  45  -2.522  -5.606   2.982
  351   1HB   CYS  45          1HB       CYS  45  -1.396  -5.370   5.175
  352   2HB   CYS  45          2HB       CYS  45  -0.613  -6.929   4.973
  353    H    LYS  46           H        LYS  46  -1.211  -8.913   3.789
  354    HA   LYS  46           HA       LYS  46  -0.083  -9.123   1.176
  355   1HB   LYS  46          1HB       LYS  46  -0.532 -11.177   3.347
  356   2HB   LYS  46          2HB       LYS  46   0.112 -11.615   1.742
  357   1HG   LYS  46          1HG       LYS  46   1.834  -9.864   1.908
  358   2HG   LYS  46          2HG       LYS  46   1.237  -9.390   3.499
  359   1HD   LYS  46          1HD       LYS  46   2.132 -11.213   4.574
  360   2HD   LYS  46          2HD       LYS  46   2.282 -12.167   3.071
  361   1HE   LYS  46          1HE       LYS  46   3.907 -10.358   2.231
  362   2HE   LYS  46          2HE       LYS  46   3.908  -9.689   3.858
  363   1HZ   LYS  46          2HZ       LYS  46   4.856 -11.810   4.624
  364   2HZ   LYS  46          3HZ       LYS  46   4.864 -12.383   3.078
  365   3HZ   LYS  46          1HZ       LYS  46   5.792 -11.101   3.485
  366    H    LYS  47           H        LYS  47  -3.371 -10.028   2.280
  367    HA   LYS  47           HA       LYS  47  -4.056 -11.226  -0.240
  368   1HB   LYS  47          1HB       LYS  47  -5.415 -11.501   1.798
  369   2HB   LYS  47          2HB       LYS  47  -5.907  -9.810   1.743
  370   1HG   LYS  47          1HG       LYS  47  -6.362 -11.573  -0.680
  371   2HG   LYS  47          2HG       LYS  47  -7.410 -11.777   0.716
  372   1HD   LYS  47          1HD       LYS  47  -8.451  -9.718   0.476
  373   2HD   LYS  47          2HD       LYS  47  -7.075  -8.971  -0.310
  374   1HE   LYS  47          1HE       LYS  47  -8.791  -9.186  -1.958
  375   2HE   LYS  47          2HE       LYS  47  -7.470 -10.277  -2.370
  376   1HZ   LYS  47          1HZ       LYS  47  -8.792 -12.102  -1.458
  377   2HZ   LYS  47          2HZ       LYS  47 -10.024 -11.071  -1.092
  378   3HZ   LYS  47          3HZ       LYS  47  -9.604 -11.327  -2.655
  379    H    ILE  48           H        ILE  48  -4.051  -7.783   0.824
  380    HA   ILE  48           HA       ILE  48  -5.288  -6.714  -1.523
  381    HB   ILE  48           HB       ILE  48  -3.266  -5.488   0.388
  382   1HG1  ILE  48          1HG1      ILE  48  -5.544  -6.045   1.299
  383   2HG1  ILE  48          2HG1      ILE  48  -5.022  -4.375   1.456
  384   1HG2  ILE  48          3HG2      ILE  48  -4.749  -4.088  -1.859
  385   2HG2  ILE  48          1HG2      ILE  48  -3.880  -3.280  -0.537
  386   3HG2  ILE  48          2HG2      ILE  48  -2.998  -4.288  -1.679
  387   1HD1  ILE  48          2HD1      ILE  48  -6.965  -5.400  -0.651
  388   2HD1  ILE  48          3HD1      ILE  48  -7.411  -4.620   0.881
  389   3HD1  ILE  48          1HD1      ILE  48  -6.526  -3.697  -0.340
  390    H    MET  49           H        MET  49  -1.762  -7.085  -0.709
  391    HA   MET  49           HA       MET  49  -0.810  -6.377  -3.246
  392   1HB   MET  49          1HB       MET  49   0.303  -8.081  -1.010
  393   2HB   MET  49          2HB       MET  49   1.185  -7.860  -2.524
  394   1HG   MET  49          1HG       MET  49   1.870  -6.232  -0.801
  395   2HG   MET  49          2HG       MET  49   1.260  -5.482  -2.273
  396   1HE   MET  49          2HE       MET  49   1.283  -3.182  -1.010
  397   2HE   MET  49          3HE       MET  49   0.312  -2.811   0.433
  398   3HE   MET  49          1HE       MET  49   1.722  -3.882   0.570
  399    H    ARG  50           H        ARG  50  -1.753  -9.751  -2.170
  400    HA   ARG  50           HA       ARG  50  -1.034 -10.997  -4.593
  401   1HB   ARG  50          1HB       ARG  50  -1.916 -12.134  -2.532
  402   2HB   ARG  50          2HB       ARG  50  -3.521 -11.568  -2.908
  403   1HG   ARG  50          1HG       ARG  50  -3.289 -13.912  -3.573
  404   2HG   ARG  50          2HG       ARG  50  -3.634 -12.881  -4.948
  405   1HD   ARG  50          1HD       ARG  50  -1.065 -12.927  -5.396
  406   2HD   ARG  50          2HD       ARG  50  -1.016 -14.255  -4.239
  407    HE   ARG  50           HE       ARG  50  -2.528 -14.118  -6.813
  408   1HH1  ARG  50          2HH2      ARG  50  -0.839 -16.188  -4.457
  409   2HH1  ARG  50          1HH2      ARG  50  -0.964 -17.616  -5.411
  410   1HH2  ARG  50          2HH1      ARG  50  -2.678 -16.035  -8.093
  411   2HH2  ARG  50          1HH1      ARG  50  -2.035 -17.517  -7.524
  412    H    SER  51           H        SER  51  -3.848  -9.158  -3.861
  413    HA   SER  51           HA       SER  51  -5.174  -9.676  -6.443
  414   1HB   SER  51          1HB       SER  51  -6.200  -9.574  -4.081
  415   2HB   SER  51          2HB       SER  51  -6.040  -7.821  -4.192
  416    HG   SER  51           HG       SER  51  -7.344  -8.001  -6.125
  417    H    PHE  52           H        PHE  52  -3.124  -7.119  -5.148
  418    HA   PHE  52           HA       PHE  52  -3.501  -5.459  -7.582
  419   1HB   PHE  52          1HB       PHE  52  -3.769  -4.407  -4.718
  420   2HB   PHE  52          2HB       PHE  52  -4.012  -3.479  -6.167
  421    HD1  PHE  52           HD1      PHE  52  -6.131  -3.787  -7.546
  422    HD2  PHE  52           HD2      PHE  52  -5.579  -5.445  -3.615
  423    HE1  PHE  52           HE1      PHE  52  -8.587  -3.946  -7.267
  424    HE2  PHE  52           HE2      PHE  52  -8.039  -5.600  -3.341
  425    HZ   PHE  52           HZ       PHE  52  -9.543  -4.847  -5.177
  426    H    LEU  53           H        LEU  53  -1.054  -7.009  -6.553
  427    HA   LEU  53           HA       LEU  53   0.596  -5.441  -5.058
  428   1HB   LEU  53          1HB       LEU  53   0.946  -7.844  -6.001
  429   2HB   LEU  53          2HB       LEU  53   1.690  -7.084  -7.368
  430    HG   LEU  53           HG       LEU  53   2.535  -6.785  -4.451
  431   1HD1  LEU  53          3HD1      LEU  53   2.857  -9.051  -5.339
  432   2HD1  LEU  53          1HD1      LEU  53   3.787  -8.391  -6.706
  433   3HD1  LEU  53          2HD1      LEU  53   4.407  -8.247  -5.050
  434   1HD2  LEU  53          3HD2      LEU  53   3.888  -5.711  -6.956
  435   2HD2  LEU  53          1HD2      LEU  53   3.349  -4.804  -5.513
  436   3HD2  LEU  53          2HD2      LEU  53   4.692  -5.906  -5.391
  437    H    ARG  54           H        ARG  54   0.942  -5.501  -8.661
  438    HA   ARG  54           HA       ARG  54   2.753  -3.265  -8.649
  439   1HB   ARG  54          1HB       ARG  54   2.324  -5.085 -10.463
  440   2HB   ARG  54          2HB       ARG  54   1.011  -4.058 -11.014
  441   1HG   ARG  54          1HG       ARG  54   3.982  -3.418 -10.960
  442   2HG   ARG  54          2HG       ARG  54   3.004  -3.808 -12.362
  443   1HD   ARG  54          1HD       ARG  54   1.678  -1.614 -11.729
  444   2HD   ARG  54          2HD       ARG  54   3.148  -1.240 -10.806
  445    HE   ARG  54           HE       ARG  54   3.348  -2.004 -13.664
  446   1HH1  ARG  54          2HH2      ARG  54   4.567   0.118 -11.191
  447   2HH1  ARG  54          1HH2      ARG  54   4.918   1.444 -12.177
  448   1HH2  ARG  54          2HH1      ARG  54   4.322  -0.499 -15.101
  449   2HH2  ARG  54          1HH1      ARG  54   5.052   0.933 -14.486
  450    H    ARG  55           H        ARG  55  -0.754  -3.450  -8.402
  451    HA   ARG  55           HA       ARG  55  -1.307  -0.817  -9.346
  452   1HB   ARG  55          1HB       ARG  55  -2.829  -2.921  -7.907
  453   2HB   ARG  55          2HB       ARG  55  -3.415  -1.267  -7.879
  454   1HG   ARG  55          1HG       ARG  55  -3.492  -1.214 -10.335
  455   2HG   ARG  55          2HG       ARG  55  -2.719  -2.817 -10.415
  456   1HD   ARG  55          1HD       ARG  55  -4.558  -3.796  -9.192
  457   2HD   ARG  55          2HD       ARG  55  -5.356  -2.201  -9.093
  458    HE   ARG  55           HE       ARG  55  -5.301  -2.309 -11.654
  459   1HH1  ARG  55          2HH2      ARG  55  -5.891  -5.207  -9.619
  460   2HH1  ARG  55          1HH2      ARG  55  -6.876  -5.976 -10.790
  461   1HH2  ARG  55          2HH1      ARG  55  -6.646  -3.370 -13.193
  462   2HH2  ARG  55          1HH1      ARG  55  -7.313  -4.916 -12.869
  463    H    ILE  56           H        ILE  56  -0.679  -2.278  -6.050
  464    HA   ILE  56           HA       ILE  56  -1.035   0.225  -4.711
  465    HB   ILE  56           HB       ILE  56   0.657  -2.133  -3.822
  466   1HG1  ILE  56          1HG1      ILE  56  -1.413  -3.139  -3.845
  467   2HG1  ILE  56          2HG1      ILE  56  -1.445  -2.426  -2.263
  468   1HG2  ILE  56          2HG2      ILE  56  -0.452   0.277  -2.334
  469   2HG2  ILE  56          3HG2      ILE  56   0.244  -1.147  -1.532
  470   3HG2  ILE  56          1HG2      ILE  56   1.248  -0.148  -2.576
  471   1HD1  ILE  56          1HD1      ILE  56  -2.784  -0.487  -3.246
  472   2HD1  ILE  56          2HD1      ILE  56  -2.907  -1.435  -4.744
  473   3HD1  ILE  56          3HD1      ILE  56  -3.592  -2.070  -3.252
  474    H    SER  57           H        SER  57   1.686  -1.139  -6.553
  475    HA   SER  57           HA       SER  57   3.546   0.840  -5.728
  476   1HB   SER  57          1HB       SER  57   4.058  -1.350  -6.911
  477   2HB   SER  57          2HB       SER  57   3.561  -0.545  -8.418
  478    HG   SER  57           HG       SER  57   5.554   0.017  -8.403
  479    H    TRP  58           H        TRP  58   1.524   0.698  -8.754
  480    HA   TRP  58           HA       TRP  58   1.963   3.272  -9.735
  481   1HB   TRP  58          1HB       TRP  58   0.574   2.209 -11.161
  482   2HB   TRP  58          2HB       TRP  58  -0.195   1.276  -9.905
  483    HD1  TRP  58           HD1      TRP  58  -0.470   5.029 -10.988
  484    HE1  TRP  58           HE1      TRP  58  -2.908   5.655 -11.121
  485    HE3  TRP  58           HE3      TRP  58  -2.480   0.777  -9.086
  486    HZ2  TRP  58           HZ2      TRP  58  -5.543   4.262 -10.766
  487    HZ3  TRP  58           HZ3      TRP  58  -4.885   0.453  -8.916
  488    HH2  TRP  58           HH2      TRP  58  -6.438   2.166  -9.703
  489    H    ASP  59           H        ASP  59  -0.378   2.338  -7.266
  490    HA   ASP  59           HA       ASP  59  -1.563   4.818  -6.775
  491   1HB   ASP  59          1HB       ASP  59  -1.159   2.354  -5.048
  492   2HB   ASP  59          2HB       ASP  59  -2.000   3.754  -4.456
  493    HD2  ASP  59           HD2      ASP  59  -4.375   1.606  -6.439
  494    H    ILE  60           H        ILE  60   1.225   3.460  -4.888
  495    HA   ILE  60           HA       ILE  60   1.668   5.967  -3.531
  496    HB   ILE  60           HB       ILE  60   3.099   3.355  -3.729
  497   1HG1  ILE  60          1HG1      ILE  60   3.013   3.489  -1.253
  498   2HG1  ILE  60          2HG1      ILE  60   2.233   5.059  -1.354
  499   1HG2  ILE  60          2HG2      ILE  60   4.376   5.829  -2.500
  500   2HG2  ILE  60          3HG2      ILE  60   4.939   4.150  -2.321
  501   3HG2  ILE  60          1HG2      ILE  60   4.969   4.915  -3.906
  502   1HD1  ILE  60          2HD1      ILE  60   1.035   2.477  -2.422
  503   2HD1  ILE  60          3HD1      ILE  60   0.723   3.159  -0.821
  504   3HD1  ILE  60          1HD1      ILE  60   0.220   4.059  -2.268
  505    H    LEU  61           H        LEU  61   3.093   4.577  -6.529
  506    HA   LEU  61           HA       LEU  61   5.130   6.496  -6.864
  507   1HB   LEU  61          1HB       LEU  61   3.503   4.935  -8.907
  508   2HB   LEU  61          2HB       LEU  61   4.861   5.953  -9.362
  509    HG   LEU  61           HG       LEU  61   5.177   3.659  -7.391
  510   1HD1  LEU  61          3HD1      LEU  61   5.589   3.656 -10.417
  511   2HD1  LEU  61          1HD1      LEU  61   6.031   2.343  -9.300
  512   3HD1  LEU  61          2HD1      LEU  61   4.333   2.758  -9.527
  513   1HD2  LEU  61          1HD2      LEU  61   6.999   5.394  -7.442
  514   2HD2  LEU  61          2HD2      LEU  61   7.491   3.774  -7.918
  515   3HD2  LEU  61          3HD2      LEU  61   7.246   5.024  -9.159
  516    H    THR  62           H        THR  62   1.714   6.655  -7.858
  517    HA   THR  62           HA       THR  62   2.055   9.324  -9.052
  518    HB   THR  62           HB       THR  62  -0.464   9.177  -9.282
  519    HG1  THR  62           HG1      THR  62  -0.031   6.489  -8.439
  520   1HG2  THR  62          1HG2      THR  62   1.069   8.568 -11.104
  521   2HG2  THR  62          2HG2      THR  62   1.152   6.900 -10.503
  522   3HG2  THR  62          3HG2      THR  62  -0.386   7.560 -11.112
  523    H    GLY  63           H        GLY  63   2.433   8.545  -6.004
  524   1HA   GLY  63          1HA       GLY  63   1.913   9.237  -3.921
  525   2HA   GLY  63          2HA       GLY  63   2.045  10.850  -4.656
  526    H    LYS  64           H        LYS  64  -0.406   8.225  -5.099
  527    HA   LYS  64           HA       LYS  64  -2.438  10.327  -4.969
  528   1HB   LYS  64          1HB       LYS  64  -2.355   8.529  -6.689
  529   2HB   LYS  64          2HB       LYS  64  -2.650   7.311  -5.447
  530   1HG   LYS  64          1HG       LYS  64  -4.899   8.183  -5.071
  531   2HG   LYS  64          2HG       LYS  64  -4.560   9.618  -6.046
  532   1HD   LYS  64          1HD       LYS  64  -5.943   7.939  -7.261
  533   2HD   LYS  64          2HD       LYS  64  -4.420   8.315  -8.087
  534   1HE   LYS  64          1HE       LYS  64  -3.391   6.246  -7.252
  535   2HE   LYS  64          2HE       LYS  64  -4.826   5.901  -6.274
  536   1HZ   LYS  64          3HZ       LYS  64  -6.067   5.746  -8.439
  537   2HZ   LYS  64          1HZ       LYS  64  -4.599   5.726  -9.188
  538   3HZ   LYS  64          2HZ       LYS  64  -5.047   4.584  -8.094
  539    H    LYS  65           H        LYS  65  -4.023  10.415  -3.380
  540    HA   LYS  65           HA       LYS  65  -2.923   9.644  -0.814
  541   1HB   LYS  65          1HB       LYS  65  -5.406  11.213  -1.557
  542   2HB   LYS  65          2HB       LYS  65  -4.882  11.028   0.106
  543   1HG   LYS  65          1HG       LYS  65  -3.079  12.217  -2.079
  544   2HG   LYS  65          2HG       LYS  65  -4.183  13.155  -1.113
  545   1HD   LYS  65          1HD       LYS  65  -1.964  13.416  -0.266
  546   2HD   LYS  65          2HD       LYS  65  -2.998  12.659   0.923
  547   1HE   LYS  65          1HE       LYS  65  -0.816  11.714   1.098
  548   2HE   LYS  65          2HE       LYS  65  -1.886  10.468   0.530
  549   1HZ   LYS  65          2HZ       LYS  65  -0.898  10.845  -1.738
  550   2HZ   LYS  65          3HZ       LYS  65   0.142  11.920  -1.055
  551   3HZ   LYS  65          1HZ       LYS  65   0.135  10.364  -0.543
  552    HA   PRO  66           HA       PRO  66  -4.641   5.899   0.139
  553   1HB   PRO  66          1HB       PRO  66  -5.510   6.072   2.765
  554   2HB   PRO  66          2HB       PRO  66  -3.793   5.983   2.271
  555   1HG   PRO  66          1HG       PRO  66  -5.437   8.478   2.845
  556   2HG   PRO  66          2HG       PRO  66  -3.825   8.072   3.485
  557   1HD   PRO  66          1HD       PRO  66  -3.981   9.661   1.383
  558   2HD   PRO  66          2HD       PRO  66  -2.821   8.293   1.290
  559    H    GLN  67           H        GLN  67  -7.003   8.243   1.589
  560    HA   GLN  67           HA       GLN  67  -9.145   6.413   1.406
  561   1HB   GLN  67          1HB       GLN  67  -8.915   8.517   2.810
  562   2HB   GLN  67          2HB       GLN  67  -9.397   9.449   1.387
  563   1HG   GLN  67          1HG       GLN  67 -11.576   8.397   1.350
  564   2HG   GLN  67          2HG       GLN  67 -11.067   7.144   2.491
  565   1HE2  GLN  67          2HE2      GLN  67 -12.710  10.407   4.060
  566   2HE2  GLN  67          1HE2      GLN  67 -12.915   9.944   2.383
  567    H    ALA  68           H        ALA  68  -7.661   8.401  -1.065
  568    HA   ALA  68           HA       ALA  68  -9.905   8.155  -2.930
  569   1HB   ALA  68          1HB       ALA  68  -8.393  10.112  -3.073
  570   2HB   ALA  68          2HB       ALA  68  -7.007   9.033  -3.381
  571   3HB   ALA  68          3HB       ALA  68  -8.336   9.133  -4.549
  572    H    ILE  69           H        ILE  69  -6.606   6.646  -2.428
  573    HA   ILE  69           HA       ILE  69  -6.705   4.841  -4.578
  574    HB   ILE  69           HB       ILE  69  -5.411   4.647  -1.841
  575   1HG1  ILE  69          1HG1      ILE  69  -4.100   4.884  -4.565
  576   2HG1  ILE  69          2HG1      ILE  69  -4.688   6.309  -3.746
  577   1HG2  ILE  69          2HG2      ILE  69  -5.283   2.659  -4.145
  578   2HG2  ILE  69          3HG2      ILE  69  -4.038   2.733  -2.888
  579   3HG2  ILE  69          1HG2      ILE  69  -5.695   2.330  -2.454
  580   1HD1  ILE  69          3HD1      ILE  69  -2.713   4.409  -2.423
  581   2HD1  ILE  69          1HD1      ILE  69  -2.252   5.825  -3.371
  582   3HD1  ILE  69          2HD1      ILE  69  -3.219   6.021  -1.895
  583    H    CYS  70           H        CYS  70  -8.063   4.332  -1.291
  584    HA   CYS  70           HA       CYS  70  -8.996   1.632  -1.805
  585   1HB   CYS  70          1HB       CYS  70 -10.221   3.822  -0.018
  586   2HB   CYS  70          2HB       CYS  70 -10.357   2.093   0.231
  587    H    VAL  71           H        VAL  71 -10.674   4.862  -2.475
  588    HA   VAL  71           HA       VAL  71 -13.034   3.397  -3.342
  589    HB   VAL  71           HB       VAL  71 -12.207   6.297  -3.501
  590   1HG1  VAL  71          1HG1      VAL  71 -13.788   5.780  -5.387
  591   2HG1  VAL  71          2HG1      VAL  71 -14.962   5.188  -4.199
  592   3HG1  VAL  71          3HG1      VAL  71 -14.459   6.878  -4.178
  593   1HG2  VAL  71          1HG2      VAL  71 -12.744   5.428  -1.226
  594   2HG2  VAL  71          2HG2      VAL  71 -13.989   6.550  -1.778
  595   3HG2  VAL  71          3HG2      VAL  71 -14.296   4.804  -1.833
  596    H    ASP  72           H        ASP  72 -10.249   4.878  -4.946
  597    HA   ASP  72           HA       ASP  72 -10.772   4.606  -7.625
  598   1HB   ASP  72          1HB       ASP  72  -8.962   5.835  -6.750
  599   2HB   ASP  72          2HB       ASP  72  -8.319   4.461  -5.892
  600    H    ILE  73           H        ILE  73  -9.106   2.051  -5.652
  601    HA   ILE  73           HA       ILE  73  -9.673   0.172  -7.900
  602    HB   ILE  73           HB       ILE  73  -8.253  -1.434  -6.465
  603   1HG1  ILE  73          1HG1      ILE  73  -7.120   1.215  -5.497
  604   2HG1  ILE  73          2HG1      ILE  73  -8.219   0.228  -4.501
  605   1HG2  ILE  73          1HG2      ILE  73  -7.687  -0.509  -8.696
  606   2HG2  ILE  73          2HG2      ILE  73  -6.988   0.910  -7.891
  607   3HG2  ILE  73          3HG2      ILE  73  -6.280  -0.710  -7.648
  608   1HD1  ILE  73          3HD1      ILE  73  -6.631  -1.661  -4.777
  609   2HD1  ILE  73          1HD1      ILE  73  -5.514  -0.528  -5.598
  610   3HD1  ILE  73          2HD1      ILE  73  -5.979  -0.235  -3.902
  611    H    LYS  74           H        LYS  74 -11.259   1.139  -5.329
  612    HA   LYS  74           HA       LYS  74 -13.314   0.701  -4.616
  613   1HB   LYS  74          1HB       LYS  74 -13.612  -0.113  -6.975
  614   2HB   LYS  74          2HB       LYS  74 -13.304  -1.747  -6.416
  615   1HG   LYS  74          1HG       LYS  74 -15.259  -0.998  -4.682
  616   2HG   LYS  74          2HG       LYS  74 -15.636   0.047  -6.055
  617   1HD   LYS  74          1HD       LYS  74 -16.968  -1.729  -6.555
  618   2HD   LYS  74          2HD       LYS  74 -15.520  -2.187  -7.452
  619   1HE   LYS  74          1HE       LYS  74 -16.400  -3.133  -4.681
  620   2HE   LYS  74          2HE       LYS  74 -16.440  -4.092  -6.171
  621   1HZ   LYS  74          2HZ       LYS  74 -13.991  -3.894  -6.213
  622   2HZ   LYS  74          3HZ       LYS  74 -14.009  -3.085  -4.801
  623   3HZ   LYS  74          1HZ       LYS  74 -14.512  -4.640  -4.826
  624    H    ILE  75           H        ILE  75 -12.469   0.505  -2.577
  625    HA   ILE  75           HA       ILE  75 -12.233  -2.244  -1.368
  626    HB   ILE  75           HB       ILE  75 -10.626   0.277  -0.725
  627   1HG1  ILE  75          1HG1      ILE  75  -9.924  -0.366  -3.013
  628   2HG1  ILE  75          2HG1      ILE  75  -8.662  -0.425  -1.806
  629   1HG2  ILE  75          2HG2      ILE  75 -10.415  -2.603   0.143
  630   2HG2  ILE  75          3HG2      ILE  75  -9.005  -1.543   0.211
  631   3HG2  ILE  75          1HG2      ILE  75 -10.454  -1.117   1.127
  632   1HD1  ILE  75          3HD1      ILE  75 -10.129  -2.818  -2.812
  633   2HD1  ILE  75          1HD1      ILE  75  -8.568  -2.178  -3.428
  634   3HD1  ILE  75          2HD1      ILE  75  -8.670  -2.765  -1.749
  635    H    CYS  76           H        CYS  76 -13.414   1.129  -1.035
  636    HA   CYS  76           HA       CYS  76 -13.476   1.034   1.887
  637   1HB   CYS  76          1HB       CYS  76 -12.599   3.020   0.609
  638   2HB   CYS  76          2HB       CYS  76 -14.182   3.248  -0.078
  639    H    LYS  77           H        LYS  77 -15.827   2.526  -0.261
  640    HA   LYS  77           HA       LYS  77 -17.886   0.742  -0.011
  641   1HB   LYS  77          1HB       LYS  77 -18.016   1.829   2.405
  642   2HB   LYS  77          2HB       LYS  77 -18.609   3.252   1.583
  643   1HG   LYS  77          1HG       LYS  77 -19.853   0.526   1.888
  644   2HG   LYS  77          2HG       LYS  77 -20.534   2.077   2.328
  645   1HD   LYS  77          1HD       LYS  77 -20.249   1.009  -0.513
  646   2HD   LYS  77          2HD       LYS  77 -21.692   0.879   0.468
  647   1HE   LYS  77          1HE       LYS  77 -22.122   3.245   0.403
  648   2HE   LYS  77          2HE       LYS  77 -20.517   3.580  -0.237
  649   1HZ   LYS  77          2HZ       LYS  77 -21.260   2.098  -2.180
  650   2HZ   LYS  77          3HZ       LYS  77 -22.796   2.496  -1.732
  651   3HZ   LYS  77          1HZ       LYS  77 -21.624   3.594  -2.188
  652    H    GLU  78           H        GLU  78 -17.282   1.152  -2.080
  653    HA   GLU  78           HA       GLU  78 -17.941   3.638  -3.420
  654   1HB   GLU  78          1HB       GLU  78 -17.426   0.789  -4.433
  655   2HB   GLU  78          2HB       GLU  78 -17.479   2.259  -5.417
  656   1HG   GLU  78          1HG       GLU  78 -15.148   1.850  -5.020
  657   2HG   GLU  78          2HG       GLU  78 -15.611   3.200  -4.028
   
  No H/Q in entry =         657
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -17.028  -0.329   3.932
    2   2H    GLY   1          2H        GLY   1 -16.004  -1.199   3.018
    3   3H    GLY   1          3H        GLY   1 -17.612  -1.540   2.975
    4   1HA   GLY   1          1HA       GLY   1 -17.600  -2.254   5.276
    5   2HA   GLY   1          2HA       GLY   1 -16.441  -3.189   4.303
    6    H    TYR   2           H        TYR   2 -15.697  -3.371   6.882
    7    HA   TYR   2           HA       TYR   2 -14.175  -1.346   8.044
    8   1HB   TYR   2          1HB       TYR   2 -14.497  -3.427   9.234
    9   2HB   TYR   2          2HB       TYR   2 -13.660  -4.341   7.976
   10    HD1  TYR   2           HD2      TYR   2 -12.905  -1.249  10.053
   11    HD2  TYR   2           HD1      TYR   2 -11.500  -5.090   8.653
   12    HE1  TYR   2           HE2      TYR   2 -10.659  -0.737  10.892
   13    HE2  TYR   2           HE1      TYR   2  -9.241  -4.576   9.532
   14    HH   TYR   2           HH       TYR   2  -8.467  -1.210  10.572
   15    H    PHE   3           H        PHE   3 -13.332  -3.489   5.366
   16    HA   PHE   3           HA       PHE   3 -10.823  -3.085   4.709
   17   1HB   PHE   3          1HB       PHE   3 -13.281  -2.991   2.975
   18   2HB   PHE   3          2HB       PHE   3 -11.694  -2.794   2.287
   19    HD1  PHE   3           HD1      PHE   3  -9.871  -4.497   2.820
   20    HD2  PHE   3           HD2      PHE   3 -14.108  -5.270   3.127
   21    HE1  PHE   3           HE1      PHE   3  -9.455  -6.916   2.467
   22    HE2  PHE   3           HE2      PHE   3 -13.680  -7.687   2.783
   23    HZ   PHE   3           HZ       PHE   3 -11.369  -8.506   2.434
   24    H    CYS   4           H        CYS   4 -13.123  -0.304   4.468
   25    HA   CYS   4           HA       CYS   4 -11.305   1.304   2.930
   26   1HB   CYS   4          1HB       CYS   4 -13.839   1.753   3.466
   27   2HB   CYS   4          2HB       CYS   4 -13.259   2.435   4.972
   28    H    GLU   5           H        GLU   5 -11.849   0.965   6.459
   29    HA   GLU   5           HA       GLU   5  -9.904   2.903   7.334
   30   1HB   GLU   5          1HB       GLU   5 -11.912   1.870   8.596
   31   2HB   GLU   5          2HB       GLU   5 -10.950   0.418   8.771
   32   1HG   GLU   5          1HG       GLU   5 -10.392   3.175   9.898
   33   2HG   GLU   5          2HG       GLU   5 -10.882   1.747  10.798
   34    H    SER   6           H        SER   6  -9.971  -0.685   6.923
   35    HA   SER   6           HA       SER   6  -7.393  -1.311   7.726
   36   1HB   SER   6          1HB       SER   6  -8.566  -2.593   5.228
   37   2HB   SER   6          2HB       SER   6  -7.612  -3.328   6.509
   38    HG   SER   6           HG       SER   6  -9.545  -2.870   7.872
   39    H    CYS   7           H        CYS   7  -8.467  -0.600   4.400
   40    HA   CYS   7           HA       CYS   7  -6.011  -0.609   3.053
   41   1HB   CYS   7          1HB       CYS   7  -8.087  -0.794   1.927
   42   2HB   CYS   7          2HB       CYS   7  -8.681   0.718   2.593
   43    H    ARG   8           H        ARG   8  -7.788   2.157   4.588
   44    HA   ARG   8           HA       ARG   8  -5.908   4.104   3.773
   45   1HB   ARG   8          1HB       ARG   8  -8.204   4.554   4.841
   46   2HB   ARG   8          2HB       ARG   8  -7.451   4.182   6.403
   47   1HG   ARG   8          1HG       ARG   8  -5.640   5.948   5.619
   48   2HG   ARG   8          2HG       ARG   8  -6.877   6.466   4.479
   49   1HD   ARG   8          1HD       ARG   8  -8.361   7.080   6.300
   50   2HD   ARG   8          2HD       ARG   8  -7.325   6.282   7.482
   51    HE   ARG   8           HE       ARG   8  -5.506   7.884   6.895
   52   1HH1  ARG   8          2HH2      ARG   8  -8.846   9.074   6.321
   53   2HH1  ARG   8          1HH2      ARG   8  -8.434  10.677   6.789
   54   1HH2  ARG   8          2HH1      ARG   8  -4.958   9.914   7.221
   55   2HH2  ARG   8          1HH1      ARG   8  -6.108  11.215   7.279
   56    H    LYS   9           H        LYS   9  -6.012   2.100   6.822
   57    HA   LYS   9           HA       LYS   9  -3.653   3.097   7.962
   58   1HB   LYS   9          1HB       LYS   9  -5.548   1.463   8.819
   59   2HB   LYS   9          2HB       LYS   9  -4.593   0.204   8.070
   60   1HG   LYS   9          1HG       LYS   9  -4.017   0.180  10.305
   61   2HG   LYS   9          2HG       LYS   9  -2.635   0.864   9.442
   62   1HD   LYS   9          1HD       LYS   9  -3.138   1.986  11.636
   63   2HD   LYS   9          2HD       LYS   9  -3.123   3.081  10.260
   64   1HE   LYS   9          1HE       LYS   9  -4.992   3.586  11.808
   65   2HE   LYS   9          2HE       LYS   9  -5.547   3.170  10.191
   66   1HZ   LYS   9          3HZ       LYS   9  -6.062   0.931  11.017
   67   2HZ   LYS   9          1HZ       LYS   9  -5.790   1.469  12.586
   68   3HZ   LYS   9          2HZ       LYS   9  -6.929   2.108  11.554
   69    H    ILE  10           H        ILE  10  -4.143   0.492   5.564
   70    HA   ILE  10           HA       ILE  10  -1.477  -0.479   5.625
   71    HB   ILE  10           HB       ILE  10  -3.333  -0.646   3.193
   72   1HG1  ILE  10          1HG1      ILE  10  -3.703  -1.809   5.854
   73   2HG1  ILE  10          2HG1      ILE  10  -4.782  -1.722   4.454
   74   1HG2  ILE  10          2HG2      ILE  10  -1.078  -2.368   4.253
   75   2HG2  ILE  10          3HG2      ILE  10  -2.047  -2.750   2.800
   76   3HG2  ILE  10          1HG2      ILE  10  -1.000  -1.331   2.822
   77   1HD1  ILE  10          3HD1      ILE  10  -3.943  -3.825   3.608
   78   2HD1  ILE  10          1HD1      ILE  10  -2.847  -3.906   5.019
   79   3HD1  ILE  10          2HD1      ILE  10  -4.584  -3.948   5.259
   80    H    ILE  11           H        ILE  11  -3.066   1.755   3.231
   81    HA   ILE  11           HA       ILE  11  -0.566   2.266   1.915
   82    HB   ILE  11           HB       ILE  11  -3.158   3.830   1.889
   83   1HG1  ILE  11          1HG1      ILE  11  -3.617   1.886   0.641
   84   2HG1  ILE  11          2HG1      ILE  11  -3.225   3.113  -0.541
   85   1HG2  ILE  11          3HG2      ILE  11  -0.596   4.274   0.285
   86   2HG2  ILE  11          1HG2      ILE  11  -2.143   5.049  -0.072
   87   3HG2  ILE  11          2HG2      ILE  11  -1.316   5.406   1.425
   88   1HD1  ILE  11          2HD1      ILE  11  -0.970   2.145  -0.814
   89   2HD1  ILE  11          3HD1      ILE  11  -1.388   0.863   0.351
   90   3HD1  ILE  11          1HD1      ILE  11  -2.273   1.006  -1.178
   91    H    GLN  12           H        GLN  12  -2.248   4.039   4.626
   92    HA   GLN  12           HA       GLN  12  -0.506   6.237   4.632
   93   1HB   GLN  12          1HB       GLN  12  -1.868   4.840   6.961
   94   2HB   GLN  12          2HB       GLN  12  -0.981   6.348   7.146
   95   1HG   GLN  12          1HG       GLN  12  -3.110   6.299   5.032
   96   2HG   GLN  12          2HG       GLN  12  -3.622   6.204   6.708
   97   1HE2  GLN  12          2HE2      GLN  12  -1.627   9.709   5.760
   98   2HE2  GLN  12          1HE2      GLN  12  -1.125   8.315   4.881
   99    H    LYS  13           H        LYS  13  -0.019   3.073   6.393
  100    HA   LYS  13           HA       LYS  13   2.514   4.026   7.389
  101   1HB   LYS  13          1HB       LYS  13   1.118   2.162   8.398
  102   2HB   LYS  13          2HB       LYS  13   1.622   1.134   7.058
  103   1HG   LYS  13          1HG       LYS  13   2.919   0.666   9.054
  104   2HG   LYS  13          2HG       LYS  13   3.977   1.276   7.803
  105   1HD   LYS  13          1HD       LYS  13   2.925   3.373   9.669
  106   2HD   LYS  13          2HD       LYS  13   3.905   2.119  10.440
  107   1HE   LYS  13          1HE       LYS  13   5.746   2.532   8.825
  108   2HE   LYS  13          2HE       LYS  13   4.781   3.782   8.042
  109   1HZ   LYS  13          2HZ       LYS  13   4.868   5.105  10.003
  110   2HZ   LYS  13          3HZ       LYS  13   5.837   3.988  10.815
  111   3HZ   LYS  13          1HZ       LYS  13   6.255   4.825   9.431
  112    H    LEU  14           H        LEU  14   1.608   2.594   4.284
  113    HA   LEU  14           HA       LEU  14   4.348   1.872   3.556
  114   1HB   LEU  14          1HB       LEU  14   2.393   0.762   2.534
  115   2HB   LEU  14          2HB       LEU  14   1.820   2.297   1.904
  116    HG   LEU  14           HG       LEU  14   3.691   2.495   0.376
  117   1HD1  LEU  14          1HD1      LEU  14   4.748  -0.015   1.736
  118   2HD1  LEU  14          2HD1      LEU  14   5.301   0.532   0.130
  119   3HD1  LEU  14          3HD1      LEU  14   5.567   1.537   1.544
  120   1HD2  LEU  14          3HD2      LEU  14   1.704   1.195  -0.278
  121   2HD2  LEU  14          1HD2      LEU  14   3.162   0.581  -1.057
  122   3HD2  LEU  14          2HD2      LEU  14   2.461  -0.294   0.328
  123    H    GLU  15           H        GLU  15   2.166   4.600   2.999
  124    HA   GLU  15           HA       GLU  15   3.740   6.135   1.232
  125   1HB   GLU  15          1HB       GLU  15   1.266   6.233   1.662
  126   2HB   GLU  15          2HB       GLU  15   1.566   6.683   3.330
  127   1HG   GLU  15          1HG       GLU  15   2.410   8.895   2.530
  128   2HG   GLU  15          2HG       GLU  15   1.971   8.404   0.884
  129    H    ASP  16           H        ASP  16   3.297   6.307   4.770
  130    HA   ASP  16           HA       ASP  16   5.326   8.142   5.456
  131   1HB   ASP  16          1HB       ASP  16   3.585   7.469   6.972
  132   2HB   ASP  16          2HB       ASP  16   3.919   5.764   6.714
  133    H    MET  17           H        MET  17   5.526   4.603   4.989
  134    HA   MET  17           HA       MET  17   8.250   4.405   5.894
  135   1HB   MET  17          1HB       MET  17   6.408   2.584   4.335
  136   2HB   MET  17          2HB       MET  17   8.091   2.191   4.448
  137   1HG   MET  17          1HG       MET  17   6.723   2.849   7.017
  138   2HG   MET  17          2HG       MET  17   6.156   1.414   6.199
  139   1HE   MET  17          2HE       MET  17   8.326  -0.275   5.098
  140   2HE   MET  17          3HE       MET  17   9.641   0.929   5.110
  141   3HE   MET  17          1HE       MET  17   9.807  -0.527   6.076
  142    H    VAL  18           H        VAL  18   6.869   4.427   2.500
  143    HA   VAL  18           HA       VAL  18   9.547   3.961   1.484
  144    HB   VAL  18           HB       VAL  18   7.303   3.299   0.424
  145   1HG1  VAL  18          3HG1      VAL  18   6.248   5.519   0.340
  146   2HG1  VAL  18          1HG1      VAL  18   7.473   6.029  -0.845
  147   3HG1  VAL  18          2HG1      VAL  18   6.356   4.719  -1.248
  148   1HG2  VAL  18          1HG2      VAL  18   9.657   4.317  -1.138
  149   2HG2  VAL  18          2HG2      VAL  18   9.330   2.687  -0.532
  150   3HG2  VAL  18          3HG2      VAL  18   8.331   3.337  -1.838
  151    H    GLY  19           H        GLY  19   7.500   6.784   2.178
  152   1HA   GLY  19          1HA       GLY  19   8.140   8.898   2.606
  153   2HA   GLY  19          2HA       GLY  19   9.827   8.446   2.328
  154    HA   PRO  20           HA       PRO  20   8.657  11.133  -1.222
  155   1HB   PRO  20          1HB       PRO  20  11.113  12.115  -1.869
  156   2HB   PRO  20          2HB       PRO  20  10.266  12.623  -0.376
  157   1HG   PRO  20          1HG       PRO  20  12.391  10.471  -0.682
  158   2HG   PRO  20          2HG       PRO  20  12.351  11.821   0.500
  159   1HD   PRO  20          1HD       PRO  20  11.450   9.295   1.070
  160   2HD   PRO  20          2HD       PRO  20  10.686  10.768   1.779
  161    H    GLN  21           H        GLN  21   9.405  11.311  -3.347
  162    HA   GLN  21           HA       GLN  21   9.018   9.930  -5.363
  163   1HB   GLN  21          1HB       GLN  21  11.863  10.939  -5.013
  164   2HB   GLN  21          2HB       GLN  21  11.146  10.432  -6.541
  165   1HG   GLN  21          1HG       GLN  21  10.946  12.749  -6.589
  166   2HG   GLN  21          2HG       GLN  21   9.331  12.186  -6.181
  167   1HE2  GLN  21          2HE2      GLN  21  11.431  14.488  -3.519
  168   2HE2  GLN  21          1HE2      GLN  21  12.229  13.884  -4.962
  169    HA   PRO  22           HA       PRO  22  10.912   5.905  -4.200
  170   1HB   PRO  22          1HB       PRO  22   8.784   4.290  -4.166
  171   2HB   PRO  22          2HB       PRO  22   9.065   5.507  -2.879
  172   1HG   PRO  22          1HG       PRO  22   7.276   5.802  -5.296
  173   2HG   PRO  22          2HG       PRO  22   6.869   6.047  -3.555
  174   1HD   PRO  22          1HD       PRO  22   7.640   8.122  -5.188
  175   2HD   PRO  22          2HD       PRO  22   8.039   8.062  -3.442
  176    H    ASN  23           H        ASN  23  10.536   3.665  -5.534
  177    HA   ASN  23           HA       ASN  23   9.803   4.132  -8.335
  178   1HB   ASN  23          1HB       ASN  23  11.789   3.093  -9.214
  179   2HB   ASN  23          2HB       ASN  23  12.293   4.461  -8.222
  180   1HD2  ASN  23          2HD2      ASN  23  13.907   2.397  -5.805
  181   2HD2  ASN  23          1HD2      ASN  23  13.652   4.025  -6.401
  182    H    GLU  24           H        GLU  24   9.577   2.066  -9.416
  183    HA   GLU  24           HA       GLU  24   7.644   0.457  -8.426
  184   1HB   GLU  24          1HB       GLU  24   8.372   0.800 -10.767
  185   2HB   GLU  24          2HB       GLU  24   9.850  -0.063 -10.441
  186   1HG   GLU  24          1HG       GLU  24   8.611  -1.655 -11.573
  187   2HG   GLU  24          2HG       GLU  24   8.247  -2.119  -9.912
  188    H    ASP  25           H        ASP  25  11.181  -0.279  -8.044
  189    HA   ASP  25           HA       ASP  25  10.630  -2.918  -6.897
  190   1HB   ASP  25          1HB       ASP  25  12.810  -2.690  -7.859
  191   2HB   ASP  25          2HB       ASP  25  13.140  -1.206  -6.945
  192    H    THR  26           H        THR  26  11.771   0.245  -5.651
  193    HA   THR  26           HA       THR  26  11.811  -0.540  -2.988
  194    HB   THR  26           HB       THR  26  11.277   2.284  -4.013
  195    HG1  THR  26           HG1      THR  26  13.476   0.539  -4.111
  196   1HG2  THR  26          2HG2      THR  26  11.229   2.041  -1.527
  197   2HG2  THR  26          3HG2      THR  26  12.830   1.284  -1.572
  198   3HG2  THR  26          1HG2      THR  26  12.625   2.977  -2.077
  199    H    VAL  27           H        VAL  27   9.006   0.668  -4.835
  200    HA   VAL  27           HA       VAL  27   7.316   0.753  -2.469
  201    HB   VAL  27           HB       VAL  27   6.340   0.311  -5.323
  202   1HG1  VAL  27          1HG1      VAL  27   5.047   1.312  -2.734
  203   2HG1  VAL  27          2HG1      VAL  27   4.279   1.417  -4.319
  204   3HG1  VAL  27          3HG1      VAL  27   4.636  -0.168  -3.633
  205   1HG2  VAL  27          3HG2      VAL  27   6.821   2.923  -3.823
  206   2HG2  VAL  27          1HG2      VAL  27   7.617   2.403  -5.310
  207   3HG2  VAL  27          2HG2      VAL  27   5.908   2.763  -5.353
  208    H    THR  28           H        THR  28   8.015  -1.801  -4.945
  209    HA   THR  28           HA       THR  28   6.172  -3.713  -3.981
  210    HB   THR  28           HB       THR  28   8.824  -4.054  -5.458
  211    HG1  THR  28           HG1      THR  28   7.548  -2.936  -6.760
  212   1HG2  THR  28          1HG2      THR  28   6.483  -5.982  -5.150
  213   2HG2  THR  28          2HG2      THR  28   7.856  -6.173  -6.267
  214   3HG2  THR  28          3HG2      THR  28   8.136  -6.211  -4.523
  215    H    GLN  29           H        GLN  29   9.674  -3.291  -3.152
  216    HA   GLN  29           HA       GLN  29   9.582  -5.427  -1.210
  217   1HB   GLN  29          1HB       GLN  29  11.751  -4.584  -0.426
  218   2HB   GLN  29          2HB       GLN  29  11.693  -4.984  -2.140
  219   1HG   GLN  29          1HG       GLN  29  11.936  -2.802  -2.831
  220   2HG   GLN  29          2HG       GLN  29  11.393  -2.107  -1.296
  221   1HE2  GLN  29          2HE2      GLN  29  15.321  -2.608  -1.847
  222   2HE2  GLN  29          1HE2      GLN  29  14.147  -2.670  -3.155
  223    H    ALA  30           H        ALA  30   9.452  -1.809  -0.834
  224    HA   ALA  30           HA       ALA  30   9.372  -1.884   1.970
  225   1HB   ALA  30          3HB       ALA  30   9.795   0.205   0.697
  226   2HB   ALA  30          1HB       ALA  30   8.100   0.211   0.149
  227   3HB   ALA  30          2HB       ALA  30   8.480   0.410   1.866
  228    H    ALA  31           H        ALA  31   6.711  -2.158  -0.406
  229    HA   ALA  31           HA       ALA  31   4.618  -2.120   1.590
  230   1HB   ALA  31          2HB       ALA  31   4.293  -1.484  -0.833
  231   2HB   ALA  31          3HB       ALA  31   4.556  -3.173  -1.291
  232   3HB   ALA  31          1HB       ALA  31   3.162  -2.734  -0.284
  233    H    SER  32           H        SER  32   6.193  -4.850  -0.276
  234    HA   SER  32           HA       SER  32   4.447  -6.809   0.919
  235   1HB   SER  32          1HB       SER  32   6.298  -8.437   0.338
  236   2HB   SER  32          2HB       SER  32   5.690  -7.462  -1.011
  237    HG   SER  32           HG       SER  32   7.503  -6.216  -0.962
  238    H    GLN  33           H        GLN  33   7.408  -5.311   2.111
  239    HA   GLN  33           HA       GLN  33   7.078  -6.719   4.643
  240   1HB   GLN  33          1HB       GLN  33   9.302  -4.949   3.666
  241   2HB   GLN  33          2HB       GLN  33   9.216  -5.652   5.290
  242   1HG   GLN  33          1HG       GLN  33   9.230  -7.233   2.668
  243   2HG   GLN  33          2HG       GLN  33  10.577  -7.068   3.780
  244   1HE2  GLN  33          2HE2      GLN  33   9.162  -9.282   6.325
  245   2HE2  GLN  33          1HE2      GLN  33  10.374  -8.082   5.974
  246    H    VAL  34           H        VAL  34   5.887  -3.676   3.433
  247    HA   VAL  34           HA       VAL  34   5.616  -2.349   5.936
  248    HB   VAL  34           HB       VAL  34   4.902  -1.456   3.602
  249   1HG1  VAL  34          3HG1      VAL  34   2.847  -3.130   3.264
  250   2HG1  VAL  34          1HG1      VAL  34   2.063  -2.032   4.354
  251   3HG1  VAL  34          2HG1      VAL  34   2.736  -1.435   2.836
  252   1HG2  VAL  34          2HG2      VAL  34   3.397  -0.856   6.107
  253   2HG2  VAL  34          3HG2      VAL  34   4.915  -0.126   5.477
  254   3HG2  VAL  34          1HG2      VAL  34   3.386   0.127   4.629
  255    H    CYS  35           H        CYS  35   3.776  -4.801   4.186
  256    HA   CYS  35           HA       CYS  35   1.656  -5.210   6.016
  257   1HB   CYS  35          1HB       CYS  35   3.075  -7.202   4.162
  258   2HB   CYS  35          2HB       CYS  35   1.469  -7.371   4.858
  259    H    ASP  36           H        ASP  36   4.725  -6.946   5.486
  260    HA   ASP  36           HA       ASP  36   4.395  -8.920   7.407
  261   1HB   ASP  36          1HB       ASP  36   6.158  -8.597   5.610
  262   2HB   ASP  36          2HB       ASP  36   7.061  -7.650   6.801
  263    H    LYS  37           H        LYS  37   5.651  -5.718   7.771
  264    HA   LYS  37           HA       LYS  37   6.391  -5.740  10.542
  265   1HB   LYS  37          1HB       LYS  37   7.365  -4.440   8.700
  266   2HB   LYS  37          2HB       LYS  37   5.863  -3.519   8.510
  267   1HG   LYS  37          1HG       LYS  37   6.249  -2.557  10.782
  268   2HG   LYS  37          2HG       LYS  37   7.799  -3.423  10.845
  269   1HD   LYS  37          1HD       LYS  37   6.988  -1.269   8.830
  270   2HD   LYS  37          2HD       LYS  37   8.096  -1.094  10.180
  271   1HE   LYS  37          1HE       LYS  37   9.582  -1.316   8.455
  272   2HE   LYS  37          2HE       LYS  37   9.509  -2.973   9.057
  273   1HZ   LYS  37          1HZ       LYS  37   7.937  -3.443   7.195
  274   2HZ   LYS  37          2HZ       LYS  37   8.109  -1.881   6.686
  275   3HZ   LYS  37          3HZ       LYS  37   9.392  -2.894   6.665
  276    H    LEU  38           H        LEU  38   3.468  -4.734   8.747
  277    HA   LEU  38           HA       LEU  38   2.108  -3.549  11.033
  278   1HB   LEU  38          1HB       LEU  38   1.269  -4.455   8.253
  279   2HB   LEU  38          2HB       LEU  38   0.078  -3.959   9.435
  280    HG   LEU  38           HG       LEU  38   2.329  -2.094   8.601
  281   1HD1  LEU  38          2HD1      LEU  38  -0.476  -2.359   7.410
  282   2HD1  LEU  38          3HD1      LEU  38   0.699  -1.081   7.031
  283   3HD1  LEU  38          1HD1      LEU  38   1.051  -2.753   6.589
  284   1HD2  LEU  38          1HD2      LEU  38  -0.407  -1.621   9.874
  285   2HD2  LEU  38          2HD2      LEU  38   1.172  -1.462  10.679
  286   3HD2  LEU  38          3HD2      LEU  38   0.727  -0.358   9.372
  287    H    LYS  39           H        LYS  39   2.130  -5.067  12.671
  288    HA   LYS  39           HA       LYS  39   1.407  -7.828  12.139
  289   1HB   LYS  39          1HB       LYS  39   1.528  -8.199  14.530
  290   2HB   LYS  39          2HB       LYS  39   2.949  -7.357  13.964
  291   1HG   LYS  39          1HG       LYS  39   0.607  -6.010  15.393
  292   2HG   LYS  39          2HG       LYS  39   2.003  -6.673  16.215
  293   1HD   LYS  39          1HD       LYS  39   2.011  -4.313  14.302
  294   2HD   LYS  39          2HD       LYS  39   2.180  -4.255  16.035
  295   1HE   LYS  39          1HE       LYS  39   4.182  -5.611  14.161
  296   2HE   LYS  39          2HE       LYS  39   4.328  -3.966  14.764
  297   1HZ   LYS  39          2HZ       LYS  39   4.442  -4.823  17.012
  298   2HZ   LYS  39          3HZ       LYS  39   4.296  -6.374  16.482
  299   3HZ   LYS  39          1HZ       LYS  39   5.620  -5.488  16.088
  300    H    ILE  40           H        ILE  40  -0.504  -8.887  13.142
  301    HA   ILE  40           HA       ILE  40  -2.711  -9.217  13.376
  302    HB   ILE  40           HB       ILE  40  -3.049  -6.208  13.778
  303   1HG1  ILE  40          1HG1      ILE  40  -3.163  -8.506  15.783
  304   2HG1  ILE  40          2HG1      ILE  40  -1.752  -7.476  15.547
  305   1HG2  ILE  40          2HG2      ILE  40  -5.098  -7.182  12.824
  306   2HG2  ILE  40          3HG2      ILE  40  -5.112  -8.416  14.100
  307   3HG2  ILE  40          1HG2      ILE  40  -5.329  -6.697  14.487
  308   1HD1  ILE  40          3HD1      ILE  40  -3.114  -5.474  16.164
  309   2HD1  ILE  40          1HD1      ILE  40  -4.462  -6.567  16.573
  310   3HD1  ILE  40          2HD1      ILE  40  -2.938  -6.671  17.463
  311    H    LEU  41           H        LEU  41  -2.189  -6.216  11.457
  312    HA   LEU  41           HA       LEU  41  -4.102  -7.094   9.474
  313   1HB   LEU  41          1HB       LEU  41  -3.574  -4.732  10.430
  314   2HB   LEU  41          2HB       LEU  41  -2.200  -4.730   9.331
  315    HG   LEU  41           HG       LEU  41  -3.796  -4.918   7.396
  316   1HD1  LEU  41          2HD1      LEU  41  -5.942  -4.606   9.558
  317   2HD1  LEU  41          3HD1      LEU  41  -6.210  -4.516   7.809
  318   3HD1  LEU  41          1HD1      LEU  41  -5.717  -6.040   8.541
  319   1HD2  LEU  41          1HD2      LEU  41  -4.297  -2.653   9.381
  320   2HD2  LEU  41          2HD2      LEU  41  -3.033  -2.712   8.133
  321   3HD2  LEU  41          3HD2      LEU  41  -4.744  -2.613   7.672
  322    H    ARG  42           H        ARG  42  -1.090  -8.210   9.868
  323    HA   ARG  42           HA       ARG  42   0.325  -7.957   7.486
  324   1HB   ARG  42          1HB       ARG  42   1.311  -8.949   9.450
  325   2HB   ARG  42          2HB       ARG  42   0.207 -10.333   9.401
  326   1HG   ARG  42          1HG       ARG  42   1.255 -11.239   7.447
  327   2HG   ARG  42          2HG       ARG  42   1.996  -9.690   7.054
  328   1HD   ARG  42          1HD       ARG  42   3.749 -10.981   7.714
  329   2HD   ARG  42          2HD       ARG  42   3.459  -9.929   9.105
  330    HE   ARG  42           HE       ARG  42   2.129 -12.232   9.754
  331   1HH1  ARG  42          2HH2      ARG  42   5.503 -11.588   8.603
  332   2HH1  ARG  42          1HH2      ARG  42   6.208 -12.751   9.618
  333   1HH2  ARG  42          2HH1      ARG  42   3.140 -13.941  11.020
  334   2HH2  ARG  42          1HH1      ARG  42   4.842 -14.160  10.942
  335    H    GLY  43           H        GLY  43  -2.171 -10.448   8.211
  336   1HA   GLY  43          1HA       GLY  43  -1.939 -11.827   5.726
  337   2HA   GLY  43          2HA       GLY  43  -3.356 -11.828   6.787
  338    H    LEU  44           H        LEU  44  -4.013  -9.056   6.725
  339    HA   LEU  44           HA       LEU  44  -5.685  -9.085   4.416
  340   1HB   LEU  44          1HB       LEU  44  -5.970  -8.089   6.846
  341   2HB   LEU  44          2HB       LEU  44  -5.055  -6.724   6.253
  342    HG   LEU  44           HG       LEU  44  -7.374  -6.214   6.315
  343   1HD1  LEU  44          3HD1      LEU  44  -6.138  -5.254   4.398
  344   2HD1  LEU  44          1HD1      LEU  44  -6.737  -6.583   3.377
  345   3HD1  LEU  44          2HD1      LEU  44  -7.870  -5.431   4.118
  346   1HD2  LEU  44          1HD2      LEU  44  -8.278  -8.500   6.194
  347   2HD2  LEU  44          2HD2      LEU  44  -9.114  -7.382   5.118
  348   3HD2  LEU  44          3HD2      LEU  44  -7.946  -8.541   4.446
  349    H    CYS  45           H        CYS  45  -2.907  -7.061   5.444
  350    HA   CYS  45           HA       CYS  45  -2.519  -5.592   3.121
  351   1HB   CYS  45          1HB       CYS  45  -1.487  -5.314   5.429
  352   2HB   CYS  45          2HB       CYS  45  -0.451  -6.649   5.072
  353    H    LYS  46           H        LYS  46  -0.805  -8.700   4.013
  354    HA   LYS  46           HA       LYS  46   0.570  -8.768   1.534
  355   1HB   LYS  46          1HB       LYS  46   0.171 -10.899   3.622
  356   2HB   LYS  46          2HB       LYS  46   0.849 -11.310   2.034
  357   1HG   LYS  46          1HG       LYS  46   2.545  -9.544   2.239
  358   2HG   LYS  46          2HG       LYS  46   1.885  -9.092   3.803
  359   1HD   LYS  46          1HD       LYS  46   2.756 -10.953   4.901
  360   2HD   LYS  46          2HD       LYS  46   3.154 -11.788   3.373
  361   1HE   LYS  46          1HE       LYS  46   4.705  -9.861   2.802
  362   2HE   LYS  46          2HE       LYS  46   4.387  -9.164   4.374
  363   1HZ   LYS  46          2HZ       LYS  46   5.794 -11.741   3.955
  364   2HZ   LYS  46          3HZ       LYS  46   6.491 -10.289   4.239
  365   3HZ   LYS  46          1HZ       LYS  46   5.601 -10.961   5.409
  366    H    LYS  47           H        LYS  47  -2.728 -10.053   2.286
  367    HA   LYS  47           HA       LYS  47  -2.965 -11.256  -0.304
  368   1HB   LYS  47          1HB       LYS  47  -4.560 -11.684   1.549
  369   2HB   LYS  47          2HB       LYS  47  -5.195 -10.049   1.417
  370   1HG   LYS  47          1HG       LYS  47  -5.209 -11.960  -0.968
  371   2HG   LYS  47          2HG       LYS  47  -6.435 -12.059   0.290
  372   1HD   LYS  47          1HD       LYS  47  -7.076  -9.695  -0.131
  373   2HD   LYS  47          2HD       LYS  47  -5.978  -9.628  -1.504
  374   1HE   LYS  47          1HE       LYS  47  -8.243 -11.649  -1.245
  375   2HE   LYS  47          2HE       LYS  47  -8.428 -10.074  -2.017
  376   1HZ   LYS  47          3HZ       LYS  47  -6.538 -12.146  -2.950
  377   2HZ   LYS  47          1HZ       LYS  47  -8.003 -11.827  -3.612
  378   3HZ   LYS  47          2HZ       LYS  47  -6.834 -10.700  -3.690
  379    H    ILE  48           H        ILE  48  -3.847  -7.903   0.810
  380    HA   ILE  48           HA       ILE  48  -4.838  -7.063  -1.712
  381    HB   ILE  48           HB       ILE  48  -3.686  -5.588   0.675
  382   1HG1  ILE  48          1HG1      ILE  48  -6.462  -5.757  -0.605
  383   2HG1  ILE  48          2HG1      ILE  48  -5.934  -6.661   0.811
  384   1HG2  ILE  48          2HG2      ILE  48  -3.089  -4.190  -1.298
  385   2HG2  ILE  48          3HG2      ILE  48  -4.781  -4.239  -1.837
  386   3HG2  ILE  48          1HG2      ILE  48  -4.324  -3.431  -0.324
  387   1HD1  ILE  48          2HD1      ILE  48  -5.602  -4.482   2.025
  388   2HD1  ILE  48          3HD1      ILE  48  -6.339  -3.649   0.633
  389   3HD1  ILE  48          1HD1      ILE  48  -7.282  -4.822   1.552
  390    H    MET  49           H        MET  49  -1.503  -6.798  -0.383
  391    HA   MET  49           HA       MET  49  -0.377  -5.581  -2.695
  392   1HB   MET  49          1HB       MET  49   0.948  -7.393  -0.627
  393   2HB   MET  49          2HB       MET  49   1.795  -6.408  -1.825
  394   1HG   MET  49          1HG       MET  49   0.066  -5.426   0.457
  395   2HG   MET  49          2HG       MET  49   1.805  -5.223   0.259
  396   1HE   MET  49          2HE       MET  49   1.119  -2.733   1.102
  397   2HE   MET  49          3HE       MET  49   0.109  -1.623   0.152
  398   3HE   MET  49          1HE       MET  49  -0.628  -3.037   0.930
  399    H    ARG  50           H        ARG  50  -0.557  -9.201  -1.948
  400    HA   ARG  50           HA       ARG  50   0.786  -9.740  -4.431
  401   1HB   ARG  50          1HB       ARG  50   0.500 -11.381  -2.561
  402   2HB   ARG  50          2HB       ARG  50  -1.200 -11.522  -2.942
  403   1HG   ARG  50          1HG       ARG  50   0.136 -13.404  -3.848
  404   2HG   ARG  50          2HG       ARG  50  -0.744 -12.530  -5.100
  405   1HD   ARG  50          1HD       ARG  50   1.305 -11.386  -5.811
  406   2HD   ARG  50          2HD       ARG  50   2.220 -12.146  -4.490
  407    HE   ARG  50           HE       ARG  50   1.118 -14.258  -5.880
  408   1HH1  ARG  50          2HH2      ARG  50   3.248 -11.569  -6.807
  409   2HH1  ARG  50          1HH2      ARG  50   4.060 -12.439  -8.050
  410   1HH2  ARG  50          2HH1      ARG  50   2.202 -15.438  -7.570
  411   2HH2  ARG  50          1HH1      ARG  50   3.435 -14.686  -8.492
  412    H    SER  51           H        SER  51  -2.578  -9.438  -3.588
  413    HA   SER  51           HA       SER  51  -3.704 -10.318  -6.053
  414   1HB   SER  51          1HB       SER  51  -4.742 -10.072  -3.715
  415   2HB   SER  51          2HB       SER  51  -4.981  -8.358  -4.098
  416    HG   SER  51           HG       SER  51  -6.200  -9.180  -5.944
  417    H    PHE  52           H        PHE  52  -2.612  -7.040  -5.048
  418    HA   PHE  52           HA       PHE  52  -3.278  -6.032  -7.771
  419   1HB   PHE  52          1HB       PHE  52  -3.838  -4.561  -5.168
  420   2HB   PHE  52          2HB       PHE  52  -4.288  -4.065  -6.787
  421    HD1  PHE  52           HD2      PHE  52  -5.772  -6.107  -8.053
  422    HD2  PHE  52           HD1      PHE  52  -5.688  -5.043  -3.871
  423    HE1  PHE  52           HE2      PHE  52  -8.076  -6.973  -7.779
  424    HE2  PHE  52           HE1      PHE  52  -8.005  -5.893  -3.614
  425    HZ   PHE  52           HZ       PHE  52  -9.205  -6.846  -5.571
  426    H    LEU  53           H        LEU  53  -0.612  -6.823  -6.740
  427    HA   LEU  53           HA       LEU  53   0.791  -4.828  -5.526
  428   1HB   LEU  53          1HB       LEU  53   1.511  -7.256  -6.303
  429   2HB   LEU  53          2HB       LEU  53   2.050  -6.466  -7.743
  430    HG   LEU  53           HG       LEU  53   3.978  -6.590  -6.445
  431   1HD1  LEU  53          1HD1      LEU  53   3.732  -4.190  -7.129
  432   2HD1  LEU  53          2HD1      LEU  53   2.998  -3.845  -5.533
  433   3HD1  LEU  53          3HD1      LEU  53   4.657  -4.407  -5.651
  434   1HD2  LEU  53          1HD2      LEU  53   2.866  -7.365  -4.389
  435   2HD2  LEU  53          2HD2      LEU  53   4.100  -6.143  -4.036
  436   3HD2  LEU  53          3HD2      LEU  53   2.381  -5.694  -4.016
  437    H    ARG  54           H        ARG  54   0.771  -5.315  -9.070
  438    HA   ARG  54           HA       ARG  54   2.132  -3.046  -9.904
  439   1HB   ARG  54          1HB       ARG  54   1.112  -5.066 -11.204
  440   2HB   ARG  54          2HB       ARG  54  -0.347  -4.105 -11.333
  441   1HG   ARG  54          1HG       ARG  54   2.379  -3.551 -12.540
  442   2HG   ARG  54          2HG       ARG  54   0.950  -4.116 -13.358
  443   1HD   ARG  54          1HD       ARG  54   1.092  -1.928 -14.071
  444   2HD   ARG  54          2HD       ARG  54  -0.145  -1.858 -12.815
  445    HE   ARG  54           HE       ARG  54   1.213  -0.529 -11.546
  446   1HH1  ARG  54          2HH2      ARG  54   3.441  -1.906 -14.063
  447   2HH1  ARG  54          1HH2      ARG  54   4.808  -1.369 -13.108
  448   1HH2  ARG  54          2HH1      ARG  54   3.121   0.403 -10.673
  449   2HH2  ARG  54          1HH1      ARG  54   4.622  -0.213 -11.255
  450    H    ARG  55           H        ARG  55  -1.372  -3.206  -8.781
  451    HA   ARG  55           HA       ARG  55  -1.988  -0.606  -9.639
  452   1HB   ARG  55          1HB       ARG  55  -3.316  -2.393  -7.648
  453   2HB   ARG  55          2HB       ARG  55  -3.823  -0.805  -8.125
  454   1HG   ARG  55          1HG       ARG  55  -3.526  -1.813 -10.620
  455   2HG   ARG  55          2HG       ARG  55  -3.785  -3.318  -9.722
  456   1HD   ARG  55          1HD       ARG  55  -5.892  -2.821 -10.309
  457   2HD   ARG  55          2HD       ARG  55  -5.812  -2.005  -8.711
  458    HE   ARG  55           HE       ARG  55  -5.113  -0.107 -10.650
  459   1HH1  ARG  55          2HH2      ARG  55  -8.050  -1.969  -9.826
  460   2HH1  ARG  55          1HH2      ARG  55  -9.125  -0.732 -10.347
  461   1HH2  ARG  55          2HH1      ARG  55  -6.583   1.534 -11.315
  462   2HH2  ARG  55          1HH1      ARG  55  -8.277   1.282 -11.225
  463    H    ILE  56           H        ILE  56  -1.054  -2.067  -6.393
  464    HA   ILE  56           HA       ILE  56  -1.219   0.453  -5.078
  465    HB   ILE  56           HB       ILE  56   0.458  -1.943  -4.240
  466   1HG1  ILE  56          1HG1      ILE  56  -1.697  -2.846  -4.352
  467   2HG1  ILE  56          2HG1      ILE  56  -1.572  -2.335  -2.689
  468   1HG2  ILE  56          1HG2      ILE  56  -0.556   0.503  -2.736
  469   2HG2  ILE  56          2HG2      ILE  56   0.092  -0.945  -1.939
  470   3HG2  ILE  56          3HG2      ILE  56   1.125   0.011  -2.989
  471   1HD1  ILE  56          2HD1      ILE  56  -2.848  -0.218  -3.335
  472   2HD1  ILE  56          3HD1      ILE  56  -3.112  -0.956  -4.928
  473   3HD1  ILE  56          1HD1      ILE  56  -3.754  -1.746  -3.488
  474    H    SER  57           H        SER  57   1.469  -1.041  -6.878
  475    HA   SER  57           HA       SER  57   3.357   0.938  -6.104
  476   1HB   SER  57          1HB       SER  57   3.855  -1.295  -7.162
  477   2HB   SER  57          2HB       SER  57   3.338  -0.599  -8.714
  478    HG   SER  57           HG       SER  57   5.452  -0.190  -8.646
  479    H    TRP  58           H        TRP  58   1.120   0.816  -8.978
  480    HA   TRP  58           HA       TRP  58   1.857   3.340 -10.091
  481   1HB   TRP  58          1HB       TRP  58   0.407   2.409 -11.542
  482   2HB   TRP  58          2HB       TRP  58  -0.414   1.480 -10.311
  483    HD1  TRP  58           HD1      TRP  58  -0.493   5.242 -11.377
  484    HE1  TRP  58           HE1      TRP  58  -2.867   6.069 -11.250
  485    HE3  TRP  58           HE3      TRP  58  -2.675   1.185  -9.256
  486    HZ2  TRP  58           HZ2      TRP  58  -5.579   4.867 -10.753
  487    HZ3  TRP  58           HZ3      TRP  58  -4.993   1.136  -8.744
  488    HH2  TRP  58           HH2      TRP  58  -6.484   2.908  -9.384
  489    H    ASP  59           H        ASP  59  -0.584   2.571  -7.621
  490    HA   ASP  59           HA       ASP  59  -1.434   5.210  -7.178
  491   1HB   ASP  59          1HB       ASP  59  -1.628   2.663  -5.527
  492   2HB   ASP  59          2HB       ASP  59  -2.116   4.178  -4.851
  493    HD2  ASP  59           HD2      ASP  59  -5.163   3.217  -6.591
  494    H    ILE  60           H        ILE  60   1.191   3.567  -5.356
  495    HA   ILE  60           HA       ILE  60   1.832   5.970  -3.897
  496    HB   ILE  60           HB       ILE  60   3.128   3.316  -4.353
  497   1HG1  ILE  60          1HG1      ILE  60   3.009   3.051  -1.996
  498   2HG1  ILE  60          2HG1      ILE  60   2.724   4.763  -1.716
  499   1HG2  ILE  60          1HG2      ILE  60   4.529   5.672  -3.032
  500   2HG2  ILE  60          2HG2      ILE  60   5.032   3.972  -2.907
  501   3HG2  ILE  60          3HG2      ILE  60   5.058   4.781  -4.476
  502   1HD1  ILE  60          2HD1      ILE  60   0.694   2.865  -2.926
  503   2HD1  ILE  60          3HD1      ILE  60   0.784   3.417  -1.242
  504   3HD1  ILE  60          1HD1      ILE  60   0.440   4.588  -2.520
  505    H    LEU  61           H        LEU  61   3.159   4.613  -6.970
  506    HA   LEU  61           HA       LEU  61   5.208   6.527  -7.306
  507   1HB   LEU  61          1HB       LEU  61   3.588   4.983  -9.360
  508   2HB   LEU  61          2HB       LEU  61   4.995   5.946  -9.775
  509    HG   LEU  61           HG       LEU  61   5.197   3.656  -7.785
  510   1HD1  LEU  61          1HD1      LEU  61   4.274   2.770  -9.903
  511   2HD1  LEU  61          2HD1      LEU  61   5.588   3.549 -10.811
  512   3HD1  LEU  61          3HD1      LEU  61   5.939   2.237  -9.664
  513   1HD2  LEU  61          3HD2      LEU  61   7.138   5.204  -7.839
  514   2HD2  LEU  61          1HD2      LEU  61   7.522   3.582  -8.417
  515   3HD2  LEU  61          2HD2      LEU  61   7.314   4.902  -9.582
  516    H    THR  62           H        THR  62   1.760   6.734  -8.141
  517    HA   THR  62           HA       THR  62   2.108   9.385  -9.392
  518    HB   THR  62           HB       THR  62  -0.410   9.283  -9.593
  519    HG1  THR  62           HG1      THR  62  -0.004   6.589  -8.778
  520   1HG2  THR  62          2HG2      THR  62   1.106   8.669 -11.430
  521   2HG2  THR  62          3HG2      THR  62   1.156   6.993 -10.851
  522   3HG2  THR  62          1HG2      THR  62  -0.372   7.697 -11.444
  523    H    GLY  63           H        GLY  63   2.537   8.620  -6.368
  524   1HA   GLY  63          1HA       GLY  63   2.102   9.342  -4.286
  525   2HA   GLY  63          2HA       GLY  63   2.237  10.940  -5.039
  526    H    LYS  64           H        LYS  64  -0.331   8.379  -5.251
  527    HA   LYS  64           HA       LYS  64  -2.306  10.542  -4.891
  528   1HB   LYS  64          1HB       LYS  64  -2.480   8.913  -6.721
  529   2HB   LYS  64          2HB       LYS  64  -2.584   7.578  -5.573
  530   1HG   LYS  64          1HG       LYS  64  -4.763   8.258  -4.838
  531   2HG   LYS  64          2HG       LYS  64  -4.599   9.868  -5.549
  532   1HD   LYS  64          1HD       LYS  64  -6.104   8.249  -6.817
  533   2HD   LYS  64          2HD       LYS  64  -4.845   9.060  -7.772
  534   1HE   LYS  64          1HE       LYS  64  -3.403   7.082  -7.672
  535   2HE   LYS  64          2HE       LYS  64  -4.529   6.271  -6.581
  536   1HZ   LYS  64          1HZ       LYS  64  -6.131   6.165  -8.382
  537   2HZ   LYS  64          2HZ       LYS  64  -5.069   6.918  -9.402
  538   3HZ   LYS  64          3HZ       LYS  64  -4.750   5.439  -8.705
  539    H    LYS  65           H        LYS  65  -3.732  10.580  -3.132
  540    HA   LYS  65           HA       LYS  65  -2.491   9.594  -0.703
  541   1HB   LYS  65          1HB       LYS  65  -4.807  11.416  -1.250
  542   2HB   LYS  65          2HB       LYS  65  -4.645  10.752   0.355
  543   1HG   LYS  65          1HG       LYS  65  -3.639  12.963   0.146
  544   2HG   LYS  65          2HG       LYS  65  -2.496  11.763   0.691
  545   1HD   LYS  65          1HD       LYS  65  -2.568  12.683  -2.200
  546   2HD   LYS  65          2HD       LYS  65  -1.763  13.619  -0.961
  547   1HE   LYS  65          1HE       LYS  65  -1.003  10.784  -1.781
  548   2HE   LYS  65          2HE       LYS  65  -0.185  12.275  -2.218
  549   1HZ   LYS  65          2HZ       LYS  65   0.262  12.571   0.211
  550   2HZ   LYS  65          3HZ       LYS  65  -0.282  11.019   0.453
  551   3HZ   LYS  65          1HZ       LYS  65   0.989  11.272  -0.482
  552    HA   PRO  66           HA       PRO  66  -4.206   5.849   0.318
  553   1HB   PRO  66          1HB       PRO  66  -4.978   6.118   3.015
  554   2HB   PRO  66          2HB       PRO  66  -3.317   5.891   2.426
  555   1HG   PRO  66          1HG       PRO  66  -4.666   8.500   3.081
  556   2HG   PRO  66          2HG       PRO  66  -3.017   7.927   3.506
  557   1HD   PRO  66          1HD       PRO  66  -3.262   9.546   1.467
  558   2HD   PRO  66          2HD       PRO  66  -2.268   8.070   1.254
  559    H    GLN  67           H        GLN  67  -6.510   8.141   1.941
  560    HA   GLN  67           HA       GLN  67  -8.629   6.247   1.739
  561   1HB   GLN  67          1HB       GLN  67  -8.363   8.251   3.313
  562   2HB   GLN  67          2HB       GLN  67  -9.005   9.256   2.005
  563   1HG   GLN  67          1HG       GLN  67 -11.109   8.042   2.028
  564   2HG   GLN  67          2HG       GLN  67 -10.440   6.777   3.067
  565   1HE2  GLN  67          2HE2      GLN  67 -12.302   9.739   4.911
  566   2HE2  GLN  67          1HE2      GLN  67 -12.563   9.281   3.244
  567    H    ALA  68           H        ALA  68  -7.314   8.358  -0.696
  568    HA   ALA  68           HA       ALA  68  -9.696   8.194  -2.404
  569   1HB   ALA  68          1HB       ALA  68  -8.185  10.159  -2.576
  570   2HB   ALA  68          2HB       ALA  68  -6.840   9.088  -3.041
  571   3HB   ALA  68          3HB       ALA  68  -8.257   9.241  -4.091
  572    H    ILE  69           H        ILE  69  -6.403   6.671  -2.117
  573    HA   ILE  69           HA       ILE  69  -6.541   4.896  -4.259
  574    HB   ILE  69           HB       ILE  69  -5.168   4.716  -1.581
  575   1HG1  ILE  69          1HG1      ILE  69  -4.103   4.963  -4.408
  576   2HG1  ILE  69          2HG1      ILE  69  -4.568   6.364  -3.496
  577   1HG2  ILE  69          3HG2      ILE  69  -5.221   2.653  -3.794
  578   2HG2  ILE  69          1HG2      ILE  69  -3.860   2.769  -2.681
  579   3HG2  ILE  69          2HG2      ILE  69  -5.475   2.403  -2.063
  580   1HD1  ILE  69          3HD1      ILE  69  -2.460   4.425  -2.463
  581   2HD1  ILE  69          1HD1      ILE  69  -2.126   5.901  -3.369
  582   3HD1  ILE  69          2HD1      ILE  69  -2.937   6.008  -1.802
  583    H    CYS  70           H        CYS  70  -7.903   4.375  -0.989
  584    HA   CYS  70           HA       CYS  70  -8.826   1.731  -1.514
  585   1HB   CYS  70          1HB       CYS  70 -10.103   3.807   0.333
  586   2HB   CYS  70          2HB       CYS  70 -10.174   2.046   0.497
  587    H    VAL  71           H        VAL  71 -10.466   4.854  -2.209
  588    HA   VAL  71           HA       VAL  71 -12.909   3.518  -3.088
  589    HB   VAL  71           HB       VAL  71 -11.870   6.346  -3.459
  590   1HG1  VAL  71          3HG1      VAL  71 -13.628   5.699  -5.184
  591   2HG1  VAL  71          1HG1      VAL  71 -14.748   5.416  -3.834
  592   3HG1  VAL  71          2HG1      VAL  71 -14.078   7.027  -4.109
  593   1HG2  VAL  71          1HG2      VAL  71 -12.335   5.745  -1.078
  594   2HG2  VAL  71          2HG2      VAL  71 -13.503   6.913  -1.690
  595   3HG2  VAL  71          3HG2      VAL  71 -13.965   5.208  -1.544
  596    H    ASP  72           H        ASP  72 -10.067   4.939  -4.643
  597    HA   ASP  72           HA       ASP  72 -10.486   4.727  -7.325
  598   1HB   ASP  72          1HB       ASP  72  -8.721   5.921  -6.317
  599   2HB   ASP  72          2HB       ASP  72  -8.116   4.512  -5.502
  600    H    ILE  73           H        ILE  73  -8.973   2.084  -5.360
  601    HA   ILE  73           HA       ILE  73  -9.350   0.335  -7.752
  602    HB   ILE  73           HB       ILE  73  -7.893  -1.305  -6.762
  603   1HG1  ILE  73          1HG1      ILE  73  -8.102   0.466  -4.342
  604   2HG1  ILE  73          2HG1      ILE  73  -7.965  -1.282  -4.493
  605   1HG2  ILE  73          2HG2      ILE  73  -7.246   0.669  -8.214
  606   2HG2  ILE  73          3HG2      ILE  73  -6.695   1.484  -6.768
  607   3HG2  ILE  73          1HG2      ILE  73  -5.942  -0.057  -7.252
  608   1HD1  ILE  73          2HD1      ILE  73  -5.583  -0.987  -5.187
  609   2HD1  ILE  73          3HD1      ILE  73  -5.750   0.759  -4.906
  610   3HD1  ILE  73          1HD1      ILE  73  -5.926  -0.350  -3.543
  611    H    LYS  74           H        LYS  74 -11.160   1.073  -5.148
  612    HA   LYS  74           HA       LYS  74 -13.175   0.552  -4.683
  613   1HB   LYS  74          1HB       LYS  74 -13.452  -0.183  -7.066
  614   2HB   LYS  74          2HB       LYS  74 -13.145  -1.864  -6.538
  615   1HG   LYS  74          1HG       LYS  74 -14.899  -1.570  -4.816
  616   2HG   LYS  74          2HG       LYS  74 -15.209   0.031  -5.463
  617   1HD   LYS  74          1HD       LYS  74 -16.334  -0.589  -7.294
  618   2HD   LYS  74          2HD       LYS  74 -15.650  -2.211  -7.284
  619   1HE   LYS  74          1HE       LYS  74 -18.079  -2.124  -6.540
  620   2HE   LYS  74          2HE       LYS  74 -16.968  -2.876  -5.386
  621   1HZ   LYS  74          1HZ       LYS  74 -16.929  -0.639  -4.223
  622   2HZ   LYS  74          2HZ       LYS  74 -18.201  -0.179  -5.138
  623   3HZ   LYS  74          3HZ       LYS  74 -18.381  -1.420  -4.172
  624    H    ILE  75           H        ILE  75 -12.379   0.323  -2.655
  625    HA   ILE  75           HA       ILE  75 -12.498  -2.404  -1.450
  626    HB   ILE  75           HB       ILE  75 -10.287  -0.326  -1.168
  627   1HG1  ILE  75          1HG1      ILE  75 -10.331  -3.179  -2.257
  628   2HG1  ILE  75          2HG1      ILE  75  -9.958  -1.697  -3.138
  629   1HG2  ILE  75          2HG2      ILE  75 -10.592  -2.906   0.397
  630   2HG2  ILE  75          3HG2      ILE  75  -9.185  -1.828   0.452
  631   3HG2  ILE  75          1HG2      ILE  75 -10.704  -1.237   1.051
  632   1HD1  ILE  75          1HD1      ILE  75  -7.898  -1.432  -1.707
  633   2HD1  ILE  75          2HD1      ILE  75  -8.217  -3.070  -1.071
  634   3HD1  ILE  75          3HD1      ILE  75  -7.908  -2.848  -2.789
  635    H    CYS  76           H        CYS  76 -13.277   0.991  -1.306
  636    HA   CYS  76           HA       CYS  76 -13.565   1.076   1.587
  637   1HB   CYS  76          1HB       CYS  76 -12.562   2.943   0.213
  638   2HB   CYS  76          2HB       CYS  76 -14.122   3.186  -0.529
  639    H    LYS  77           H        LYS  77 -15.798   2.560  -0.705
  640    HA   LYS  77           HA       LYS  77 -17.905   0.833  -0.573
  641   1HB   LYS  77          1HB       LYS  77 -18.113   1.749   1.864
  642   2HB   LYS  77          2HB       LYS  77 -18.640   3.255   1.144
  643   1HG   LYS  77          1HG       LYS  77 -19.924   0.501   0.914
  644   2HG   LYS  77          2HG       LYS  77 -20.547   1.863   1.829
  645   1HD   LYS  77          1HD       LYS  77 -20.439   1.651  -1.211
  646   2HD   LYS  77          2HD       LYS  77 -21.846   1.370  -0.212
  647   1HE   LYS  77          1HE       LYS  77 -22.091   3.651   0.385
  648   2HE   LYS  77          2HE       LYS  77 -20.431   4.041  -0.097
  649   1HZ   LYS  77          3HZ       LYS  77 -21.037   3.588  -2.396
  650   2HZ   LYS  77          1HZ       LYS  77 -22.571   3.317  -2.008
  651   3HZ   LYS  77          2HZ       LYS  77 -21.913   4.823  -1.787
  652    H    GLU  78           H        GLU  78 -17.274   1.358  -2.649
  653    HA   GLU  78           HA       GLU  78 -18.212   3.858  -3.857
  654   1HB   GLU  78          1HB       GLU  78 -17.258   1.400  -5.375
  655   2HB   GLU  78          2HB       GLU  78 -17.147   3.078  -5.780
  656   1HG   GLU  78          1HG       GLU  78 -14.965   2.128  -5.370
  657   2HG   GLU  78          2HG       GLU  78 -15.322   3.394  -4.214
   
  No H/Q in entry =         657
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -16.957  -0.489   5.067
    2   2H    GLY   1          2H        GLY   1 -18.394  -1.135   5.573
    3   3H    GLY   1          3H        GLY   1 -17.498  -0.182   6.584
    4   1HA   GLY   1          1HA       GLY   1 -17.224  -2.463   7.229
    5   2HA   GLY   1          2HA       GLY   1 -16.721  -2.830   5.565
    6    H    TYR   2           H        TYR   2 -15.109  -3.259   8.003
    7    HA   TYR   2           HA       TYR   2 -13.281  -1.283   8.613
    8   1HB   TYR   2          1HB       TYR   2 -13.606  -3.283   9.926
    9   2HB   TYR   2          2HB       TYR   2 -13.086  -4.306   8.594
   10    HD1  TYR   2           HD2      TYR   2 -11.416  -1.216  10.074
   11    HD2  TYR   2           HD1      TYR   2 -11.238  -5.490   9.411
   12    HE1  TYR   2           HE2      TYR   2  -9.112  -1.243  10.898
   13    HE2  TYR   2           HE1      TYR   2  -8.930  -5.521  10.290
   14    HH   TYR   2           HH       TYR   2  -7.306  -2.538  11.411
   15    H    PHE   3           H        PHE   3 -13.296  -3.267   5.693
   16    HA   PHE   3           HA       PHE   3 -10.759  -3.200   4.737
   17   1HB   PHE   3          1HB       PHE   3 -13.414  -2.722   3.365
   18   2HB   PHE   3          2HB       PHE   3 -11.918  -2.651   2.469
   19    HD1  PHE   3           HD2      PHE   3 -10.524  -4.548   2.032
   20    HD2  PHE   3           HD1      PHE   3 -14.224  -4.952   4.227
   21    HE1  PHE   3           HE2      PHE   3 -10.497  -6.991   1.637
   22    HE2  PHE   3           HE1      PHE   3 -14.167  -7.402   3.849
   23    HZ   PHE   3           HZ       PHE   3 -12.320  -8.416   2.550
   24    H    CYS   4           H        CYS   4 -12.963  -0.322   4.572
   25    HA   CYS   4           HA       CYS   4 -11.167   1.204   3.025
   26   1HB   CYS   4          1HB       CYS   4 -13.610   1.689   3.490
   27   2HB   CYS   4          2HB       CYS   4 -13.133   2.344   5.054
   28    H    GLU   5           H        GLU   5 -11.526   1.077   6.601
   29    HA   GLU   5           HA       GLU   5  -9.495   3.029   7.171
   30   1HB   GLU   5          1HB       GLU   5 -11.408   2.095   8.671
   31   2HB   GLU   5          2HB       GLU   5 -10.348   0.728   8.987
   32   1HG   GLU   5          1HG       GLU   5  -9.784   3.670   9.554
   33   2HG   GLU   5          2HG       GLU   5 -10.221   2.451  10.745
   34    H    SER   6           H        SER   6  -9.538  -0.559   7.086
   35    HA   SER   6           HA       SER   6  -6.886  -1.106   7.765
   36   1HB   SER   6          1HB       SER   6  -8.500  -2.523   5.596
   37   2HB   SER   6          2HB       SER   6  -7.112  -3.162   6.484
   38    HG   SER   6           HG       SER   6  -9.582  -2.403   7.683
   39    H    CYS   7           H        CYS   7  -8.231  -0.495   4.507
   40    HA   CYS   7           HA       CYS   7  -5.827  -0.645   3.023
   41   1HB   CYS   7          1HB       CYS   7  -7.934  -0.852   2.017
   42   2HB   CYS   7          2HB       CYS   7  -8.515   0.696   2.617
   43    H    ARG   8           H        ARG   8  -7.536   2.214   4.463
   44    HA   ARG   8           HA       ARG   8  -5.674   4.106   3.511
   45   1HB   ARG   8          1HB       ARG   8  -7.925   4.628   4.622
   46   2HB   ARG   8          2HB       ARG   8  -7.148   4.289   6.179
   47   1HG   ARG   8          1HG       ARG   8  -5.336   6.020   5.322
   48   2HG   ARG   8          2HG       ARG   8  -6.594   6.525   4.199
   49   1HD   ARG   8          1HD       ARG   8  -8.029   7.201   6.029
   50   2HD   ARG   8          2HD       ARG   8  -6.988   6.404   7.212
   51    HE   ARG   8           HE       ARG   8  -5.162   7.970   6.597
   52   1HH1  ARG   8          2HH2      ARG   8  -8.504   9.187   6.025
   53   2HH1  ARG   8          1HH2      ARG   8  -8.048  10.803   6.387
   54   1HH2  ARG   8          2HH1      ARG   8  -4.582  10.010   6.827
   55   2HH2  ARG   8          1HH1      ARG   8  -5.714  11.326   6.837
   56    H    LYS   9           H        LYS   9  -5.722   2.336   6.657
   57    HA   LYS   9           HA       LYS   9  -3.302   3.413   7.642
   58   1HB   LYS   9          1HB       LYS   9  -5.064   2.255   8.947
   59   2HB   LYS   9          2HB       LYS   9  -4.610   0.713   8.215
   60   1HG   LYS   9          1HG       LYS   9  -2.396   0.832   9.214
   61   2HG   LYS   9          2HG       LYS   9  -2.705   2.450   9.854
   62   1HD   LYS   9          1HD       LYS   9  -4.456   0.086  10.664
   63   2HD   LYS   9          2HD       LYS   9  -2.877   0.352  11.389
   64   1HE   LYS   9          1HE       LYS   9  -4.277   1.377  12.903
   65   2HE   LYS   9          2HE       LYS   9  -3.628   2.729  11.971
   66   1HZ   LYS   9          1HZ       LYS   9  -6.325   1.522  11.489
   67   2HZ   LYS   9          2HZ       LYS   9  -6.050   2.875  12.365
   68   3HZ   LYS   9          3HZ       LYS   9  -5.788   2.803  10.765
   69    H    ILE  10           H        ILE  10  -3.859   0.511   5.629
   70    HA   ILE  10           HA       ILE  10  -1.213  -0.503   5.631
   71    HB   ILE  10           HB       ILE  10  -3.559  -0.770   3.736
   72   1HG1  ILE  10          1HG1      ILE  10  -2.106  -2.851   5.426
   73   2HG1  ILE  10          2HG1      ILE  10  -3.385  -1.864   6.086
   74   1HG2  ILE  10          2HG2      ILE  10  -0.792  -1.969   3.428
   75   2HG2  ILE  10          3HG2      ILE  10  -2.224  -2.693   2.668
   76   3HG2  ILE  10          1HG2      ILE  10  -1.727  -1.070   2.220
   77   1HD1  ILE  10          1HD1      ILE  10  -4.973  -2.709   4.358
   78   2HD1  ILE  10          2HD1      ILE  10  -3.704  -3.784   3.740
   79   3HD1  ILE  10          3HD1      ILE  10  -4.319  -4.010   5.366
   80    H    ILE  11           H        ILE  11  -2.793   1.717   3.224
   81    HA   ILE  11           HA       ILE  11  -0.311   2.143   1.844
   82    HB   ILE  11           HB       ILE  11  -2.837   3.823   1.936
   83   1HG1  ILE  11          1HG1      ILE  11  -3.367   1.751   0.857
   84   2HG1  ILE  11          2HG1      ILE  11  -3.235   2.992  -0.373
   85   1HG2  ILE  11          1HG2      ILE  11  -0.389   4.098   0.133
   86   2HG2  ILE  11          2HG2      ILE  11  -1.930   4.936  -0.113
   87   3HG2  ILE  11          3HG2      ILE  11  -0.967   5.281   1.308
   88   1HD1  ILE  11          3HD1      ILE  11  -1.020   2.124  -1.035
   89   2HD1  ILE  11          1HD1      ILE  11  -1.140   0.859   0.216
   90   3HD1  ILE  11          2HD1      ILE  11  -2.284   0.894  -1.133
   91    H    GLN  12           H        GLN  12  -1.941   4.093   4.444
   92    HA   GLN  12           HA       GLN  12  -0.108   6.193   4.471
   93   1HB   GLN  12          1HB       GLN  12  -1.611   4.923   6.790
   94   2HB   GLN  12          2HB       GLN  12  -0.699   6.418   6.948
   95   1HG   GLN  12          1HG       GLN  12  -2.722   6.334   4.742
   96   2HG   GLN  12          2HG       GLN  12  -3.328   6.294   6.392
   97   1HE2  GLN  12          2HE2      GLN  12  -1.232   9.730   5.389
   98   2HE2  GLN  12          1HE2      GLN  12  -0.797   8.300   4.523
   99    H    LYS  13           H        LYS  13   0.176   3.060   6.356
  100    HA   LYS  13           HA       LYS  13   2.600   4.001   7.533
  101   1HB   LYS  13          1HB       LYS  13   1.062   2.092   8.374
  102   2HB   LYS  13          2HB       LYS  13   1.738   1.094   7.090
  103   1HG   LYS  13          1HG       LYS  13   2.872   0.510   9.097
  104   2HG   LYS  13          2HG       LYS  13   4.028   1.394   8.138
  105   1HD   LYS  13          1HD       LYS  13   2.600   3.280   9.864
  106   2HD   LYS  13          2HD       LYS  13   3.094   1.891  10.820
  107   1HE   LYS  13          1HE       LYS  13   4.864   3.487  10.971
  108   2HE   LYS  13          2HE       LYS  13   5.451   2.182   9.917
  109   1HZ   LYS  13          2HZ       LYS  13   4.870   3.665   8.004
  110   2HZ   LYS  13          3HZ       LYS  13   4.463   4.856   9.102
  111   3HZ   LYS  13          1HZ       LYS  13   5.929   4.418   8.997
  112    H    LEU  14           H        LEU  14   1.987   2.516   4.394
  113    HA   LEU  14           HA       LEU  14   4.792   1.861   3.925
  114   1HB   LEU  14          1HB       LEU  14   2.952   0.735   2.703
  115   2HB   LEU  14          2HB       LEU  14   2.451   2.241   1.991
  116    HG   LEU  14           HG       LEU  14   3.774   0.637   0.583
  117   1HD1  LEU  14          2HD1      LEU  14   3.459   3.078   0.037
  118   2HD1  LEU  14          3HD1      LEU  14   5.096   3.358   0.646
  119   3HD1  LEU  14          1HD1      LEU  14   4.857   2.275  -0.717
  120   1HD2  LEU  14          1HD2      LEU  14   5.541   0.110   2.300
  121   2HD2  LEU  14          2HD2      LEU  14   6.156   0.548   0.690
  122   3HD2  LEU  14          3HD2      LEU  14   6.237   1.712   2.013
  123    H    GLU  15           H        GLU  15   2.551   4.428   2.954
  124    HA   GLU  15           HA       GLU  15   4.173   6.017   1.372
  125   1HB   GLU  15          1HB       GLU  15   1.670   5.973   1.678
  126   2HB   GLU  15          2HB       GLU  15   1.859   6.624   3.296
  127   1HG   GLU  15          1HG       GLU  15   2.630   8.770   2.321
  128   2HG   GLU  15          2HG       GLU  15   2.412   8.078   0.703
  129    H    ASP  16           H        ASP  16   3.616   6.192   4.889
  130    HA   ASP  16           HA       ASP  16   5.381   8.310   5.549
  131   1HB   ASP  16          1HB       ASP  16   3.731   7.488   7.080
  132   2HB   ASP  16          2HB       ASP  16   4.185   5.817   6.809
  133    H    MET  17           H        MET  17   6.075   4.861   4.975
  134    HA   MET  17           HA       MET  17   8.777   5.198   6.093
  135   1HB   MET  17          1HB       MET  17   7.355   2.803   4.869
  136   2HB   MET  17          2HB       MET  17   9.058   2.784   5.369
  137   1HG   MET  17          1HG       MET  17   8.382   3.495   7.653
  138   2HG   MET  17          2HG       MET  17   6.712   3.423   7.158
  139   1HE   MET  17          2HE       MET  17   6.766   0.625   5.390
  140   2HE   MET  17          3HE       MET  17   8.523   0.391   5.511
  141   3HE   MET  17          1HE       MET  17   7.418  -0.782   6.254
  142    H    VAL  18           H        VAL  18   7.362   4.553   2.784
  143    HA   VAL  18           HA       VAL  18  10.068   4.433   1.708
  144    HB   VAL  18           HB       VAL  18   7.991   3.288   0.752
  145   1HG1  VAL  18          2HG1      VAL  18   6.544   5.298   0.513
  146   2HG1  VAL  18          3HG1      VAL  18   7.634   5.864  -0.765
  147   3HG1  VAL  18          1HG1      VAL  18   6.752   4.351  -0.991
  148   1HG2  VAL  18          3HG2      VAL  18  10.059   4.642  -0.966
  149   2HG2  VAL  18          1HG2      VAL  18  10.126   3.060  -0.196
  150   3HG2  VAL  18          2HG2      VAL  18   8.977   3.327  -1.520
  151    H    GLY  19           H        GLY  19   7.602   6.919   2.281
  152   1HA   GLY  19          1HA       GLY  19   7.844   9.137   2.471
  153   2HA   GLY  19          2HA       GLY  19   9.541   9.031   1.963
  154    HA   PRO  20           HA       PRO  20   7.033  10.679  -1.616
  155   1HB   PRO  20          1HB       PRO  20   8.539  12.836  -2.296
  156   2HB   PRO  20          2HB       PRO  20   7.467  12.868  -0.862
  157   1HG   PRO  20          1HG       PRO  20  10.448  12.281  -0.947
  158   2HG   PRO  20          2HG       PRO  20   9.581  13.435   0.118
  159   1HD   PRO  20          1HD       PRO  20  10.225  10.871   0.864
  160   2HD   PRO  20          2HD       PRO  20   8.732  11.703   1.454
  161    H    GLN  21           H        GLN  21   7.721  11.091  -3.749
  162    HA   GLN  21           HA       GLN  21   8.241   9.857  -5.679
  163   1HB   GLN  21          1HB       GLN  21  10.791  11.403  -5.111
  164   2HB   GLN  21          2HB       GLN  21  10.111  10.970  -6.681
  165   1HG   GLN  21          1HG       GLN  21   9.128  13.032  -4.697
  166   2HG   GLN  21          2HG       GLN  21   9.581  13.261  -6.380
  167   1HE2  GLN  21          1HE2      GLN  21   8.047  12.298  -8.071
  168   2HE2  GLN  21          2HE2      GLN  21   6.361  12.119  -7.609
  169    HA   PRO  22           HA       PRO  22  10.945   6.424  -4.130
  170   1HB   PRO  22          1HB       PRO  22   9.225   4.424  -3.775
  171   2HB   PRO  22          2HB       PRO  22   9.282   5.805  -2.636
  172   1HG   PRO  22          1HG       PRO  22   7.387   5.484  -4.986
  173   2HG   PRO  22          2HG       PRO  22   6.988   5.749  -3.247
  174   1HD   PRO  22          1HD       PRO  22   7.222   7.835  -5.016
  175   2HD   PRO  22          2HD       PRO  22   7.704   7.961  -3.295
  176    H    ASN  23           H        ASN  23  10.726   3.970  -5.261
  177    HA   ASN  23           HA       ASN  23  10.074   4.210  -8.139
  178   1HB   ASN  23          1HB       ASN  23  12.180   3.131  -8.707
  179   2HB   ASN  23          2HB       ASN  23  12.515   4.611  -7.809
  180   1HD2  ASN  23          2HD2      ASN  23  14.013   1.190  -6.343
  181   2HD2  ASN  23          1HD2      ASN  23  13.473   1.333  -8.001
  182    H    GLU  24           H        GLU  24   9.402   2.281  -9.017
  183    HA   GLU  24           HA       GLU  24   7.688   0.728  -7.699
  184   1HB   GLU  24          1HB       GLU  24   7.695   0.893 -10.039
  185   2HB   GLU  24          2HB       GLU  24   9.272   0.140 -10.201
  186   1HG   GLU  24          1HG       GLU  24   8.436  -2.025  -9.812
  187   2HG   GLU  24          2HG       GLU  24   7.057  -1.441  -8.877
  188    H    ASP  25           H        ASP  25  11.166  -0.302  -7.952
  189    HA   ASP  25           HA       ASP  25  10.605  -2.902  -6.827
  190   1HB   ASP  25          1HB       ASP  25  12.736  -2.595  -7.938
  191   2HB   ASP  25          2HB       ASP  25  13.205  -1.332  -6.778
  192    H    THR  26           H        THR  26  12.012   0.080  -5.315
  193    HA   THR  26           HA       THR  26  12.007  -0.824  -2.729
  194    HB   THR  26           HB       THR  26  11.430   2.043  -3.599
  195    HG1  THR  26           HG1      THR  26  13.390   2.134  -4.317
  196   1HG2  THR  26          1HG2      THR  26  11.470   1.541  -1.112
  197   2HG2  THR  26          2HG2      THR  26  13.123   0.937  -1.302
  198   3HG2  THR  26          3HG2      THR  26  12.759   2.645  -1.632
  199    H    VAL  27           H        VAL  27   9.314   0.624  -4.564
  200    HA   VAL  27           HA       VAL  27   7.493   0.700  -2.321
  201    HB   VAL  27           HB       VAL  27   6.864   0.506  -5.306
  202   1HG1  VAL  27          1HG1      VAL  27   5.107   1.253  -2.920
  203   2HG1  VAL  27          2HG1      VAL  27   4.661   1.500  -4.618
  204   3HG1  VAL  27          3HG1      VAL  27   4.893  -0.140  -4.004
  205   1HG2  VAL  27          3HG2      VAL  27   7.047   2.909  -3.431
  206   2HG2  VAL  27          1HG2      VAL  27   8.138   2.552  -4.768
  207   3HG2  VAL  27          2HG2      VAL  27   6.467   2.954  -5.121
  208    H    THR  28           H        THR  28   8.170  -1.835  -4.816
  209    HA   THR  28           HA       THR  28   6.186  -3.666  -3.962
  210    HB   THR  28           HB       THR  28   8.858  -4.072  -5.382
  211    HG1  THR  28           HG1      THR  28   7.582  -2.842  -6.587
  212   1HG2  THR  28          3HG2      THR  28   6.523  -5.999  -5.059
  213   2HG2  THR  28          1HG2      THR  28   7.824  -6.157  -6.262
  214   3HG2  THR  28          2HG2      THR  28   8.204  -6.234  -4.539
  215    H    GLN  29           H        GLN  29   9.691  -3.441  -3.021
  216    HA   GLN  29           HA       GLN  29   9.404  -5.604  -1.142
  217   1HB   GLN  29          1HB       GLN  29  11.596  -4.895  -0.256
  218   2HB   GLN  29          2HB       GLN  29  11.564  -5.274  -1.976
  219   1HG   GLN  29          1HG       GLN  29  11.841  -3.028  -2.611
  220   2HG   GLN  29          2HG       GLN  29  11.523  -2.416  -0.977
  221   1HE2  GLN  29          2HE2      GLN  29  15.298  -3.292  -1.996
  222   2HE2  GLN  29          1HE2      GLN  29  14.028  -3.185  -3.194
  223    H    ALA  30           H        ALA  30   9.494  -1.998  -0.636
  224    HA   ALA  30           HA       ALA  30   9.276  -2.199   2.173
  225   1HB   ALA  30          2HB       ALA  30  10.051  -0.155   1.017
  226   2HB   ALA  30          3HB       ALA  30   8.413   0.112   0.385
  227   3HB   ALA  30          1HB       ALA  30   8.712   0.186   2.129
  228    H    ALA  31           H        ALA  31   6.717  -2.160  -0.347
  229    HA   ALA  31           HA       ALA  31   4.574  -1.907   1.616
  230   1HB   ALA  31          2HB       ALA  31   4.407  -1.091  -0.780
  231   2HB   ALA  31          3HB       ALA  31   4.399  -2.783  -1.315
  232   3HB   ALA  31          1HB       ALA  31   3.091  -2.164  -0.290
  233    H    SER  32           H        SER  32   5.900  -4.689  -0.371
  234    HA   SER  32           HA       SER  32   4.042  -6.564   0.842
  235   1HB   SER  32          1HB       SER  32   5.627  -8.316   0.100
  236   2HB   SER  32          2HB       SER  32   5.233  -7.176  -1.199
  237    HG   SER  32           HG       SER  32   7.206  -6.227  -0.990
  238    H    GLN  33           H        GLN  33   7.096  -5.224   1.998
  239    HA   GLN  33           HA       GLN  33   6.773  -6.753   4.456
  240   1HB   GLN  33          1HB       GLN  33   8.928  -4.839   3.569
  241   2HB   GLN  33          2HB       GLN  33   8.861  -5.583   5.170
  242   1HG   GLN  33          1HG       GLN  33   8.997  -7.112   2.527
  243   2HG   GLN  33          2HG       GLN  33  10.321  -6.892   3.665
  244   1HE2  GLN  33          2HE2      GLN  33   8.958  -9.192   6.159
  245   2HE2  GLN  33          1HE2      GLN  33  10.116  -7.927   5.848
  246    H    VAL  34           H        VAL  34   5.658  -3.569   3.401
  247    HA   VAL  34           HA       VAL  34   5.347  -2.415   5.923
  248    HB   VAL  34           HB       VAL  34   4.635  -1.437   3.646
  249   1HG1  VAL  34          1HG1      VAL  34   2.521  -3.120   3.346
  250   2HG1  VAL  34          2HG1      VAL  34   1.772  -1.913   4.333
  251   3HG1  VAL  34          3HG1      VAL  34   2.513  -1.454   2.797
  252   1HG2  VAL  34          1HG2      VAL  34   3.222  -0.950   6.220
  253   2HG2  VAL  34          2HG2      VAL  34   4.630  -0.104   5.484
  254   3HG2  VAL  34          3HG2      VAL  34   3.009   0.060   4.785
  255    H    CYS  35           H        CYS  35   3.463  -4.789   4.168
  256    HA   CYS  35           HA       CYS  35   1.341  -5.232   6.009
  257   1HB   CYS  35          1HB       CYS  35   2.739  -7.170   4.097
  258   2HB   CYS  35          2HB       CYS  35   1.111  -7.351   4.737
  259    H    ASP  36           H        ASP  36   4.421  -6.887   5.402
  260    HA   ASP  36           HA       ASP  36   4.193  -8.966   7.284
  261   1HB   ASP  36          1HB       ASP  36   5.892  -8.499   5.415
  262   2HB   ASP  36          2HB       ASP  36   6.792  -7.580   6.628
  263    H    LYS  37           H        LYS  37   5.499  -5.754   7.644
  264    HA   LYS  37           HA       LYS  37   6.322  -5.829  10.366
  265   1HB   LYS  37          1HB       LYS  37   7.162  -4.505   8.382
  266   2HB   LYS  37          2HB       LYS  37   5.741  -3.467   8.506
  267   1HG   LYS  37          1HG       LYS  37   6.595  -2.635  10.690
  268   2HG   LYS  37          2HG       LYS  37   7.960  -3.774  10.576
  269   1HD   LYS  37          1HD       LYS  37   8.548  -2.701   8.331
  270   2HD   LYS  37          2HD       LYS  37   7.317  -1.475   8.669
  271   1HE   LYS  37          1HE       LYS  37   8.590  -0.792  10.701
  272   2HE   LYS  37          2HE       LYS  37   9.781  -2.059  10.363
  273   1HZ   LYS  37          1HZ       LYS  37   9.255   0.255   8.598
  274   2HZ   LYS  37          2HZ       LYS  37  10.540   0.097   9.599
  275   3HZ   LYS  37          3HZ       LYS  37  10.371  -0.920   8.329
  276    H    LEU  38           H        LEU  38   3.368  -4.661   8.716
  277    HA   LEU  38           HA       LEU  38   2.045  -3.637  11.115
  278   1HB   LEU  38          1HB       LEU  38   1.102  -4.404   8.320
  279   2HB   LEU  38          2HB       LEU  38  -0.018  -3.902   9.567
  280    HG   LEU  38           HG       LEU  38   2.237  -2.069   8.678
  281   1HD1  LEU  38          2HD1      LEU  38   0.897  -2.696   6.688
  282   2HD1  LEU  38          3HD1      LEU  38  -0.597  -2.265   7.547
  283   3HD1  LEU  38          1HD1      LEU  38   0.605  -1.018   7.145
  284   1HD2  LEU  38          2HD2      LEU  38  -0.469  -1.539   9.986
  285   2HD2  LEU  38          3HD2      LEU  38   1.126  -1.411  10.770
  286   3HD2  LEU  38          1HD2      LEU  38   0.681  -0.303   9.465
  287    H    LYS  39           H        LYS  39   2.395  -5.434  12.541
  288    HA   LYS  39           HA       LYS  39   1.648  -8.075  11.685
  289   1HB   LYS  39          1HB       LYS  39   2.091  -8.832  13.930
  290   2HB   LYS  39          2HB       LYS  39   3.375  -7.782  13.383
  291   1HG   LYS  39          1HG       LYS  39   1.133  -6.926  15.276
  292   2HG   LYS  39          2HG       LYS  39   2.665  -7.586  15.808
  293   1HD   LYS  39          1HD       LYS  39   2.269  -4.946  14.353
  294   2HD   LYS  39          2HD       LYS  39   2.619  -5.160  16.049
  295   1HE   LYS  39          1HE       LYS  39   4.505  -5.994  13.790
  296   2HE   LYS  39          2HE       LYS  39   4.589  -4.465  14.655
  297   1HZ   LYS  39          3HZ       LYS  39   5.007  -5.676  16.698
  298   2HZ   LYS  39          1HZ       LYS  39   4.930  -7.120  15.914
  299   3HZ   LYS  39          2HZ       LYS  39   6.128  -6.056  15.565
  300    H    ILE  40           H        ILE  40  -0.043  -9.411  12.694
  301    HA   ILE  40           HA       ILE  40  -2.180  -9.958  13.103
  302    HB   ILE  40           HB       ILE  40  -2.750  -7.089  13.956
  303   1HG1  ILE  40          1HG1      ILE  40  -1.099  -8.006  15.476
  304   2HG1  ILE  40          2HG1      ILE  40  -2.661  -7.885  16.260
  305   1HG2  ILE  40          1HG2      ILE  40  -4.420  -9.601  14.251
  306   2HG2  ILE  40          2HG2      ILE  40  -4.748  -8.039  15.032
  307   3HG2  ILE  40          3HG2      ILE  40  -4.784  -8.165  13.277
  308   1HD1  ILE  40          3HD1      ILE  40  -2.999 -10.343  15.972
  309   2HD1  ILE  40          1HD1      ILE  40  -1.393 -10.456  15.210
  310   3HD1  ILE  40          2HD1      ILE  40  -1.543  -9.953  16.900
  311    H    LEU  41           H        LEU  41  -2.046  -6.663  11.655
  312    HA   LEU  41           HA       LEU  41  -4.151  -7.328   9.788
  313   1HB   LEU  41          1HB       LEU  41  -3.652  -5.200  11.094
  314   2HB   LEU  41          2HB       LEU  41  -2.361  -4.863   9.971
  315    HG   LEU  41           HG       LEU  41  -4.755  -3.769   9.868
  316   1HD1  LEU  41          1HD1      LEU  41  -2.931  -3.207   8.384
  317   2HD1  LEU  41          2HD1      LEU  41  -3.326  -4.584   7.337
  318   3HD1  LEU  41          3HD1      LEU  41  -4.488  -3.245   7.552
  319   1HD2  LEU  41          2HD2      LEU  41  -6.066  -5.832   9.665
  320   2HD2  LEU  41          3HD2      LEU  41  -6.321  -4.745   8.301
  321   3HD2  LEU  41          1HD2      LEU  41  -5.289  -6.179   8.100
  322    H    ARG  42           H        ARG  42  -1.082  -8.204   9.747
  323    HA   ARG  42           HA       ARG  42   0.080  -8.094   7.175
  324   1HB   ARG  42          1HB       ARG  42   0.967  -8.955   9.363
  325   2HB   ARG  42          2HB       ARG  42  -0.059 -10.374   9.219
  326   1HG   ARG  42          1HG       ARG  42   1.272 -11.170   7.307
  327   2HG   ARG  42          2HG       ARG  42   2.203  -9.660   7.312
  328   1HD   ARG  42          1HD       ARG  42   2.856 -10.164   9.725
  329   2HD   ARG  42          2HD       ARG  42   2.054 -11.731   9.559
  330    HE   ARG  42           HE       ARG  42   4.347 -11.022   7.755
  331   1HH1  ARG  42          2HH2      ARG  42   3.289 -13.043  10.492
  332   2HH1  ARG  42          1HH2      ARG  42   4.844 -13.783  10.640
  333   1HH2  ARG  42          2HH1      ARG  42   6.264 -11.917   7.984
  334   2HH2  ARG  42          1HH1      ARG  42   6.628 -13.144   9.149
  335    H    GLY  43           H        GLY  43  -2.518 -10.248   8.467
  336   1HA   GLY  43          1HA       GLY  43  -2.724 -11.940   6.213
  337   2HA   GLY  43          2HA       GLY  43  -3.993 -11.636   7.403
  338    H    LEU  44           H        LEU  44  -4.106  -8.626   6.660
  339    HA   LEU  44           HA       LEU  44  -5.844  -9.048   4.308
  340   1HB   LEU  44          1HB       LEU  44  -6.508  -7.619   6.415
  341   2HB   LEU  44          2HB       LEU  44  -5.421  -6.407   5.741
  342    HG   LEU  44           HG       LEU  44  -6.794  -6.814   3.503
  343   1HD1  LEU  44          1HD1      LEU  44  -8.090  -8.769   4.360
  344   2HD1  LEU  44          2HD1      LEU  44  -8.791  -7.736   5.624
  345   3HD1  LEU  44          3HD1      LEU  44  -9.153  -7.423   3.921
  346   1HD2  LEU  44          3HD2      LEU  44  -8.016  -5.341   5.870
  347   2HD2  LEU  44          1HD2      LEU  44  -6.817  -4.690   4.723
  348   3HD2  LEU  44          2HD2      LEU  44  -8.445  -5.100   4.163
  349    H    CYS  45           H        CYS  45  -3.304  -6.621   5.246
  350    HA   CYS  45           HA       CYS  45  -2.695  -5.623   2.878
  351   1HB   CYS  45          1HB       CYS  45  -1.934  -5.037   5.164
  352   2HB   CYS  45          2HB       CYS  45  -0.802  -6.366   5.131
  353    H    LYS  46           H        LYS  46  -1.016  -8.632   4.116
  354    HA   LYS  46           HA       LYS  46   0.660  -8.908   1.829
  355   1HB   LYS  46          1HB       LYS  46  -0.510 -11.046   3.668
  356   2HB   LYS  46          2HB       LYS  46   0.638 -11.401   2.405
  357   1HG   LYS  46          1HG       LYS  46   1.261  -9.604   4.793
  358   2HG   LYS  46          2HG       LYS  46   1.638 -11.318   4.651
  359   1HD   LYS  46          1HD       LYS  46   2.883 -10.665   2.475
  360   2HD   LYS  46          2HD       LYS  46   2.807  -9.013   3.105
  361   1HE   LYS  46          1HE       LYS  46   4.036  -9.739   5.138
  362   2HE   LYS  46          2HE       LYS  46   4.046 -11.407   4.568
  363   1HZ   LYS  46          1HZ       LYS  46   5.429  -9.146   3.239
  364   2HZ   LYS  46          2HZ       LYS  46   6.148 -10.223   4.179
  365   3HZ   LYS  46          3HZ       LYS  46   5.512 -10.726   2.760
  366    H    LYS  47           H        LYS  47  -2.750  -9.898   2.318
  367    HA   LYS  47           HA       LYS  47  -2.816 -11.465  -0.129
  368   1HB   LYS  47          1HB       LYS  47  -4.237 -11.979   1.764
  369   2HB   LYS  47          2HB       LYS  47  -5.021 -10.392   1.684
  370   1HG   LYS  47          1HG       LYS  47  -6.149 -10.912  -0.327
  371   2HG   LYS  47          2HG       LYS  47  -5.084 -12.276  -0.684
  372   1HD   LYS  47          1HD       LYS  47  -7.330 -12.974   0.021
  373   2HD   LYS  47          2HD       LYS  47  -6.067 -13.643   1.037
  374   1HE   LYS  47          1HE       LYS  47  -7.545 -11.109   1.857
  375   2HE   LYS  47          2HE       LYS  47  -8.295 -12.693   2.063
  376   1HZ   LYS  47          1HZ       LYS  47  -6.378 -13.361   3.401
  377   2HZ   LYS  47          2HZ       LYS  47  -5.760 -11.835   3.353
  378   3HZ   LYS  47          3HZ       LYS  47  -7.202 -12.116   4.066
  379    H    ILE  48           H        ILE  48  -3.787  -8.113   0.783
  380    HA   ILE  48           HA       ILE  48  -4.827  -7.355  -1.749
  381    HB   ILE  48           HB       ILE  48  -3.490  -5.745   0.461
  382   1HG1  ILE  48          1HG1      ILE  48  -6.424  -5.871  -0.378
  383   2HG1  ILE  48          2HG1      ILE  48  -5.748  -6.926   0.854
  384   1HG2  ILE  48          3HG2      ILE  48  -4.946  -4.675  -2.002
  385   2HG2  ILE  48          1HG2      ILE  48  -4.403  -3.699  -0.622
  386   3HG2  ILE  48          2HG2      ILE  48  -3.219  -4.479  -1.647
  387   1HD1  ILE  48          2HD1      ILE  48  -5.123  -4.989   2.240
  388   2HD1  ILE  48          3HD1      ILE  48  -5.843  -3.889   1.039
  389   3HD1  ILE  48          1HD1      ILE  48  -6.864  -5.041   1.897
  390    H    MET  49           H        MET  49  -1.439  -7.200  -0.495
  391    HA   MET  49           HA       MET  49  -0.294  -6.054  -2.826
  392   1HB   MET  49          1HB       MET  49   0.953  -7.978  -0.814
  393   2HB   MET  49          2HB       MET  49   1.840  -7.051  -2.021
  394   1HG   MET  49          1HG       MET  49   0.215  -5.939   0.275
  395   2HG   MET  49          2HG       MET  49   1.967  -5.926   0.119
  396   1HE   MET  49          3HE       MET  49   1.447  -3.349   1.003
  397   2HE   MET  49          1HE       MET  49   0.573  -2.161   0.012
  398   3HE   MET  49          2HE       MET  49  -0.308  -3.511   0.756
  399    H    ARG  50           H        ARG  50  -0.700  -9.599  -2.058
  400    HA   ARG  50           HA       ARG  50   0.435 -10.416  -4.557
  401   1HB   ARG  50          1HB       ARG  50  -0.209 -11.833  -2.450
  402   2HB   ARG  50          2HB       ARG  50  -1.814 -11.913  -3.153
  403   1HG   ARG  50          1HG       ARG  50   0.781 -13.071  -4.237
  404   2HG   ARG  50          2HG       ARG  50  -0.648 -13.936  -3.673
  405   1HD   ARG  50          1HD       ARG  50  -1.895 -12.882  -5.661
  406   2HD   ARG  50          2HD       ARG  50  -0.285 -12.371  -6.235
  407    HE   ARG  50           HE       ARG  50  -0.237 -15.153  -5.730
  408   1HH1  ARG  50          2HH2      ARG  50  -1.534 -12.760  -7.998
  409   2HH1  ARG  50          1HH2      ARG  50  -1.622 -13.826  -9.350
  410   1HH2  ARG  50          2HH1      ARG  50  -0.314 -16.630  -7.557
  411   2HH2  ARG  50          1HH1      ARG  50  -0.888 -16.090  -9.080
  412    H    SER  51           H        SER  51  -2.901  -9.509  -3.653
  413    HA   SER  51           HA       SER  51  -4.159 -10.316  -6.038
  414   1HB   SER  51          1HB       SER  51  -5.143  -9.712  -3.749
  415   2HB   SER  51          2HB       SER  51  -5.052  -8.017  -4.249
  416    HG   SER  51           HG       SER  51  -6.516  -8.465  -5.874
  417    H    PHE  52           H        PHE  52  -2.939  -7.010  -5.119
  418    HA   PHE  52           HA       PHE  52  -3.058  -6.297  -8.018
  419   1HB   PHE  52          1HB       PHE  52  -3.955  -4.424  -5.817
  420   2HB   PHE  52          2HB       PHE  52  -4.206  -4.292  -7.554
  421    HD1  PHE  52           HD2      PHE  52  -5.571  -6.517  -8.540
  422    HD2  PHE  52           HD1      PHE  52  -5.889  -4.794  -4.591
  423    HE1  PHE  52           HE2      PHE  52  -7.838  -7.478  -8.297
  424    HE2  PHE  52           HE1      PHE  52  -8.168  -5.749  -4.370
  425    HZ   PHE  52           HZ       PHE  52  -9.143  -7.092  -6.216
  426    H    LEU  53           H        LEU  53  -0.588  -7.018  -6.940
  427    HA   LEU  53           HA       LEU  53   0.807  -5.119  -5.559
  428   1HB   LEU  53          1HB       LEU  53   1.517  -7.507  -6.435
  429   2HB   LEU  53          2HB       LEU  53   2.116  -6.663  -7.823
  430    HG   LEU  53           HG       LEU  53   3.978  -6.945  -6.429
  431   1HD1  LEU  53          3HD1      LEU  53   3.846  -4.544  -7.163
  432   2HD1  LEU  53          1HD1      LEU  53   3.122  -4.145  -5.576
  433   3HD1  LEU  53          2HD1      LEU  53   4.750  -4.787  -5.678
  434   1HD2  LEU  53          1HD2      LEU  53   2.756  -7.643  -4.416
  435   2HD2  LEU  53          2HD2      LEU  53   4.042  -6.486  -4.028
  436   3HD2  LEU  53          3HD2      LEU  53   2.348  -5.944  -4.065
  437    H    ARG  54           H        ARG  54   0.944  -5.391  -9.151
  438    HA   ARG  54           HA       ARG  54   2.335  -3.001  -9.598
  439   1HB   ARG  54          1HB       ARG  54   2.001  -4.680 -11.315
  440   2HB   ARG  54          2HB       ARG  54   0.274  -4.324 -11.422
  441   1HG   ARG  54          1HG       ARG  54   0.622  -2.219 -12.417
  442   2HG   ARG  54          2HG       ARG  54   2.282  -2.102 -11.864
  443   1HD   ARG  54          1HD       ARG  54   1.311  -4.046 -14.012
  444   2HD   ARG  54          2HD       ARG  54   2.015  -2.464 -14.344
  445    HE   ARG  54           HE       ARG  54   3.435  -4.870 -13.822
  446   1HH1  ARG  54          2HH2      ARG  54   3.710  -1.322 -13.232
  447   2HH1  ARG  54          1HH2      ARG  54   5.334  -1.501 -12.675
  448   1HH2  ARG  54          2HH1      ARG  54   5.810  -4.863 -13.375
  449   2HH2  ARG  54          1HH1      ARG  54   6.460  -3.314 -12.892
  450    H    ARG  55           H        ARG  55  -1.170  -3.222  -8.684
  451    HA   ARG  55           HA       ARG  55  -1.634  -0.558  -9.594
  452   1HB   ARG  55          1HB       ARG  55  -3.115  -2.401  -7.682
  453   2HB   ARG  55          2HB       ARG  55  -3.604  -0.803  -8.016
  454   1HG   ARG  55          1HG       ARG  55  -3.504  -3.047 -10.036
  455   2HG   ARG  55          2HG       ARG  55  -4.948  -2.461  -9.232
  456   1HD   ARG  55          1HD       ARG  55  -3.299  -0.840 -11.213
  457   2HD   ARG  55          2HD       ARG  55  -4.731  -1.764 -11.624
  458    HE   ARG  55           HE       ARG  55  -4.579   0.801 -10.209
  459   1HH1  ARG  55          2HH2      ARG  55  -6.852  -1.730 -11.296
  460   2HH1  ARG  55          1HH2      ARG  55  -8.211  -0.664 -11.157
  461   1HH2  ARG  55          2HH1      ARG  55  -6.421   2.152 -10.035
  462   2HH2  ARG  55          1HH1      ARG  55  -7.947   1.594 -10.319
  463    H    ILE  56           H        ILE  56  -0.765  -2.142  -6.401
  464    HA   ILE  56           HA       ILE  56  -0.771   0.339  -4.960
  465    HB   ILE  56           HB       ILE  56   0.401  -2.384  -4.473
  466   1HG1  ILE  56          1HG1      ILE  56  -1.052  -2.327  -2.519
  467   2HG1  ILE  56          2HG1      ILE  56  -1.417  -0.624  -2.773
  468   1HG2  ILE  56          1HG2      ILE  56   0.986   0.065  -2.751
  469   2HG2  ILE  56          2HG2      ILE  56   1.242  -1.618  -2.252
  470   3HG2  ILE  56          3HG2      ILE  56   2.172  -0.958  -3.590
  471   1HD1  ILE  56          1HD1      ILE  56  -2.295  -2.878  -4.605
  472   2HD1  ILE  56          2HD1      ILE  56  -3.297  -2.083  -3.379
  473   3HD1  ILE  56          3HD1      ILE  56  -2.736  -1.161  -4.772
  474    H    SER  57           H        SER  57   1.677  -1.041  -7.157
  475    HA   SER  57           HA       SER  57   3.674   0.888  -6.455
  476   1HB   SER  57          1HB       SER  57   4.099  -1.208  -7.761
  477   2HB   SER  57          2HB       SER  57   3.216  -0.508  -9.132
  478    HG   SER  57           HG       SER  57   5.261  -0.035  -9.536
  479    H    TRP  58           H        TRP  58   1.353   0.885  -9.260
  480    HA   TRP  58           HA       TRP  58   1.738   3.495 -10.157
  481   1HB   TRP  58          1HB       TRP  58   0.251   2.523 -11.556
  482   2HB   TRP  58          2HB       TRP  58  -0.443   1.514 -10.306
  483    HD1  TRP  58           HD1      TRP  58  -0.747   5.203 -11.469
  484    HE1  TRP  58           HE1      TRP  58  -3.057   6.072 -10.930
  485    HE3  TRP  58           HE3      TRP  58  -2.574   1.119  -9.089
  486    HZ2  TRP  58           HZ2      TRP  58  -5.431   5.106  -9.409
  487    HZ3  TRP  58           HZ3      TRP  58  -4.681   1.166  -7.910
  488    HH2  TRP  58           HH2      TRP  58  -6.131   3.091  -7.995
  489    H    ASP  59           H        ASP  59  -0.387   2.459  -7.517
  490    HA   ASP  59           HA       ASP  59  -1.671   4.845  -6.908
  491   1HB   ASP  59          1HB       ASP  59  -0.762   2.525  -5.126
  492   2HB   ASP  59          2HB       ASP  59  -1.588   3.891  -4.460
  493    HD2  ASP  59           HD2      ASP  59  -4.049   1.386  -5.776
  494    H    ILE  60           H        ILE  60   1.331   3.622  -5.402
  495    HA   ILE  60           HA       ILE  60   1.877   5.981  -3.868
  496    HB   ILE  60           HB       ILE  60   3.290   3.415  -4.577
  497   1HG1  ILE  60          1HG1      ILE  60   3.236   2.950  -2.275
  498   2HG1  ILE  60          2HG1      ILE  60   2.881   4.620  -1.820
  499   1HG2  ILE  60          2HG2      ILE  60   4.561   5.789  -3.166
  500   2HG2  ILE  60          3HG2      ILE  60   5.170   4.126  -3.068
  501   3HG2  ILE  60          1HG2      ILE  60   5.124   4.951  -4.632
  502   1HD1  ILE  60          1HD1      ILE  60   0.916   2.722  -3.137
  503   2HD1  ILE  60          2HD1      ILE  60   1.031   3.099  -1.413
  504   3HD1  ILE  60          3HD1      ILE  60   0.578   4.376  -2.557
  505    H    LEU  61           H        LEU  61   3.314   4.726  -6.938
  506    HA   LEU  61           HA       LEU  61   5.113   6.827  -7.325
  507   1HB   LEU  61          1HB       LEU  61   3.651   5.139  -9.385
  508   2HB   LEU  61          2HB       LEU  61   5.018   6.180  -9.763
  509    HG   LEU  61           HG       LEU  61   5.203   3.870  -7.781
  510   1HD1  LEU  61          1HD1      LEU  61   4.602   3.034 -10.020
  511   2HD1  LEU  61          2HD1      LEU  61   5.946   3.955 -10.739
  512   3HD1  LEU  61          3HD1      LEU  61   6.263   2.618  -9.611
  513   1HD2  LEU  61          1HD2      LEU  61   6.994   5.563  -7.512
  514   2HD2  LEU  61          2HD2      LEU  61   7.606   4.029  -8.125
  515   3HD2  LEU  61          3HD2      LEU  61   7.399   5.402  -9.231
  516    H    THR  62           H        THR  62   1.660   6.744  -8.289
  517    HA   THR  62           HA       THR  62   1.877   9.406  -9.535
  518    HB   THR  62           HB       THR  62  -0.580   9.206  -9.844
  519    HG1  THR  62           HG1      THR  62  -0.210   6.576  -8.828
  520   1HG2  THR  62          2HG2      THR  62   1.028   8.479 -11.569
  521   2HG2  THR  62          3HG2      THR  62   1.012   6.836 -10.900
  522   3HG2  THR  62          1HG2      THR  62  -0.469   7.541 -11.600
  523    H    GLY  63           H        GLY  63   2.354   8.760  -6.530
  524   1HA   GLY  63          1HA       GLY  63   1.904   9.496  -4.465
  525   2HA   GLY  63          2HA       GLY  63   1.880  11.080  -5.256
  526    H    LYS  64           H        LYS  64  -0.502   8.311  -5.384
  527    HA   LYS  64           HA       LYS  64  -2.588  10.351  -5.128
  528   1HB   LYS  64          1HB       LYS  64  -2.669   8.434  -6.756
  529   2HB   LYS  64          2HB       LYS  64  -2.820   7.306  -5.404
  530   1HG   LYS  64          1HG       LYS  64  -4.949   8.356  -4.736
  531   2HG   LYS  64          2HG       LYS  64  -4.766   9.596  -5.974
  532   1HD   LYS  64          1HD       LYS  64  -5.131   6.614  -6.537
  533   2HD   LYS  64          2HD       LYS  64  -6.408   7.833  -6.547
  534   1HE   LYS  64          1HE       LYS  64  -4.658   9.033  -8.253
  535   2HE   LYS  64          2HE       LYS  64  -4.200   7.349  -8.525
  536   1HZ   LYS  64          3HZ       LYS  64  -6.602   6.914  -9.020
  537   2HZ   LYS  64          1HZ       LYS  64  -6.934   8.478  -8.843
  538   3HZ   LYS  64          2HZ       LYS  64  -5.945   7.991 -10.059
  539    H    LYS  65           H        LYS  65  -4.031  10.419  -3.373
  540    HA   LYS  65           HA       LYS  65  -2.656   9.757  -0.868
  541   1HB   LYS  65          1HB       LYS  65  -5.157  11.284  -1.564
  542   2HB   LYS  65          2HB       LYS  65  -4.867  10.846   0.100
  543   1HG   LYS  65          1HG       LYS  65  -4.046  13.157  -0.996
  544   2HG   LYS  65          2HG       LYS  65  -3.300  12.434   0.405
  545   1HD   LYS  65          1HD       LYS  65  -2.151  12.041  -2.396
  546   2HD   LYS  65          2HD       LYS  65  -1.788  13.421  -1.396
  547   1HE   LYS  65          1HE       LYS  65  -0.277  12.354  -0.175
  548   2HE   LYS  65          2HE       LYS  65  -1.412  11.087   0.255
  549   1HZ   LYS  65          3HZ       LYS  65  -0.798   9.942  -1.824
  550   2HZ   LYS  65          1HZ       LYS  65   0.358  11.086  -2.106
  551   3HZ   LYS  65          2HZ       LYS  65   0.368  10.103  -0.737
  552    HA   PRO  66           HA       PRO  66  -4.050   5.909   0.152
  553   1HB   PRO  66          1HB       PRO  66  -4.674   6.020   2.860
  554   2HB   PRO  66          2HB       PRO  66  -3.024   6.043   2.185
  555   1HG   PRO  66          1HG       PRO  66  -4.694   8.436   2.983
  556   2HG   PRO  66          2HG       PRO  66  -2.980   8.076   3.363
  557   1HD   PRO  66          1HD       PRO  66  -3.498   9.704   1.364
  558   2HD   PRO  66          2HD       PRO  66  -2.278   8.407   1.138
  559    H    GLN  67           H        GLN  67  -6.401   8.112   1.801
  560    HA   GLN  67           HA       GLN  67  -8.479   6.181   1.695
  561   1HB   GLN  67          1HB       GLN  67  -8.216   8.269   3.152
  562   2HB   GLN  67          2HB       GLN  67  -8.889   9.196   1.806
  563   1HG   GLN  67          1HG       GLN  67 -10.987   7.993   1.939
  564   2HG   GLN  67          2HG       GLN  67 -10.293   6.769   3.013
  565   1HE2  GLN  67          2HE2      GLN  67 -12.089   9.813   4.791
  566   2HE2  GLN  67          1HE2      GLN  67 -12.415   9.281   3.159
  567    H    ALA  68           H        ALA  68  -7.291   8.379  -0.790
  568    HA   ALA  68           HA       ALA  68  -9.656   8.084  -2.488
  569   1HB   ALA  68          2HB       ALA  68  -8.285  10.146  -2.583
  570   2HB   ALA  68          3HB       ALA  68  -6.871   9.189  -3.095
  571   3HB   ALA  68          1HB       ALA  68  -8.301   9.295  -4.138
  572    H    ILE  69           H        ILE  69  -6.371   6.609  -2.166
  573    HA   ILE  69           HA       ILE  69  -6.445   4.969  -4.475
  574    HB   ILE  69           HB       ILE  69  -5.120   4.692  -1.748
  575   1HG1  ILE  69          1HG1      ILE  69  -3.885   5.117  -4.478
  576   2HG1  ILE  69          2HG1      ILE  69  -4.412   6.431  -3.509
  577   1HG2  ILE  69          3HG2      ILE  69  -5.064   2.718  -4.042
  578   2HG2  ILE  69          1HG2      ILE  69  -3.782   2.781  -2.815
  579   3HG2  ILE  69          2HG2      ILE  69  -5.433   2.406  -2.340
  580   1HD1  ILE  69          1HD1      ILE  69  -2.400   4.412  -2.445
  581   2HD1  ILE  69          2HD1      ILE  69  -1.961   5.877  -3.328
  582   3HD1  ILE  69          3HD1      ILE  69  -2.833   6.005  -1.794
  583    H    CYS  70           H        CYS  70  -7.582   4.231  -1.161
  584    HA   CYS  70           HA       CYS  70  -8.832   1.702  -1.639
  585   1HB   CYS  70          1HB       CYS  70  -9.734   3.988   0.211
  586   2HB   CYS  70          2HB       CYS  70 -10.036   2.277   0.452
  587    H    VAL  71           H        VAL  71 -10.176   5.039  -2.380
  588    HA   VAL  71           HA       VAL  71 -12.752   3.809  -3.073
  589    HB   VAL  71           HB       VAL  71 -11.558   6.549  -3.627
  590   1HG1  VAL  71          3HG1      VAL  71 -14.386   5.562  -4.227
  591   2HG1  VAL  71          1HG1      VAL  71 -13.824   7.239  -4.345
  592   3HG1  VAL  71          2HG1      VAL  71 -13.172   6.011  -5.434
  593   1HG2  VAL  71          3HG2      VAL  71 -12.190   6.062  -1.244
  594   2HG2  VAL  71          1HG2      VAL  71 -13.220   7.298  -1.973
  595   3HG2  VAL  71          2HG2      VAL  71 -13.828   5.644  -1.788
  596    H    ASP  72           H        ASP  72  -9.886   4.996  -4.965
  597    HA   ASP  72           HA       ASP  72 -10.788   4.460  -7.508
  598   1HB   ASP  72          1HB       ASP  72  -8.742   5.694  -6.760
  599   2HB   ASP  72          2HB       ASP  72  -7.932   4.157  -6.497
  600    H    ILE  73           H        ILE  73  -8.956   2.145  -5.473
  601    HA   ILE  73           HA       ILE  73  -9.421   0.026  -7.512
  602    HB   ILE  73           HB       ILE  73  -7.930  -1.364  -6.031
  603   1HG1  ILE  73          1HG1      ILE  73  -6.930   1.218  -4.861
  604   2HG1  ILE  73          2HG1      ILE  73  -8.301   0.427  -4.059
  605   1HG2  ILE  73          2HG2      ILE  73  -6.864   1.122  -7.301
  606   2HG2  ILE  73          3HG2      ILE  73  -5.915  -0.343  -6.875
  607   3HG2  ILE  73          1HG2      ILE  73  -7.210  -0.436  -8.079
  608   1HD1  ILE  73          2HD1      ILE  73  -6.906  -1.664  -3.975
  609   2HD1  ILE  73          3HD1      ILE  73  -5.537  -0.669  -4.530
  610   3HD1  ILE  73          1HD1      ILE  73  -6.350  -0.293  -2.979
  611    H    LYS  74           H        LYS  74 -11.245   1.240  -5.249
  612    HA   LYS  74           HA       LYS  74 -13.138   0.854  -4.354
  613   1HB   LYS  74          1HB       LYS  74 -13.611   0.128  -6.652
  614   2HB   LYS  74          2HB       LYS  74 -13.403  -1.561  -6.128
  615   1HG   LYS  74          1HG       LYS  74 -15.071  -1.134  -4.348
  616   2HG   LYS  74          2HG       LYS  74 -15.399   0.463  -4.958
  617   1HD   LYS  74          1HD       LYS  74 -15.640  -1.831  -6.882
  618   2HD   LYS  74          2HD       LYS  74 -16.872  -1.688  -5.638
  619   1HE   LYS  74          1HE       LYS  74 -17.659  -0.624  -7.677
  620   2HE   LYS  74          2HE       LYS  74 -17.439   0.566  -6.395
  621   1HZ   LYS  74          1HZ       LYS  74 -15.332   1.181  -7.388
  622   2HZ   LYS  74          2HZ       LYS  74 -15.677   0.260  -8.752
  623   3HZ   LYS  74          3HZ       LYS  74 -16.594   1.558  -8.186
  624    H    ILE  75           H        ILE  75 -12.211   0.633  -2.452
  625    HA   ILE  75           HA       ILE  75 -12.311  -2.031  -1.075
  626    HB   ILE  75           HB       ILE  75 -10.668   0.462  -0.368
  627   1HG1  ILE  75          1HG1      ILE  75  -9.868  -0.213  -2.602
  628   2HG1  ILE  75          2HG1      ILE  75  -8.661  -0.418  -1.354
  629   1HG2  ILE  75          2HG2      ILE  75 -10.696  -2.428   0.496
  630   2HG2  ILE  75          3HG2      ILE  75  -9.209  -1.514   0.623
  631   3HG2  ILE  75          1HG2      ILE  75 -10.648  -0.945   1.484
  632   1HD1  ILE  75          3HD1      ILE  75 -10.349  -2.678  -2.358
  633   2HD1  ILE  75          1HD1      ILE  75  -8.804  -2.173  -3.079
  634   3HD1  ILE  75          2HD1      ILE  75  -8.832  -2.732  -1.385
  635    H    CYS  76           H        CYS  76 -13.539   1.212  -1.280
  636    HA   CYS  76           HA       CYS  76 -14.308   1.310   1.587
  637   1HB   CYS  76          1HB       CYS  76 -12.646   3.025   0.512
  638   2HB   CYS  76          2HB       CYS  76 -14.069   3.663  -0.297
  639    H    LYS  77           H        LYS  77 -16.115   3.585   0.882
  640    HA   LYS  77           HA       LYS  77 -18.373   2.197  -0.361
  641   1HB   LYS  77          1HB       LYS  77 -19.045   2.339   1.962
  642   2HB   LYS  77          2HB       LYS  77 -18.478   4.006   2.102
  643   1HG   LYS  77          1HG       LYS  77 -20.439   3.606  -0.111
  644   2HG   LYS  77          2HG       LYS  77 -21.086   3.172   1.455
  645   1HD   LYS  77          1HD       LYS  77 -20.901   5.319   2.334
  646   2HD   LYS  77          2HD       LYS  77 -19.707   5.862   1.179
  647   1HE   LYS  77          1HE       LYS  77 -22.583   5.236   0.404
  648   2HE   LYS  77          2HE       LYS  77 -22.023   6.830   0.927
  649   1HZ   LYS  77          3HZ       LYS  77 -20.414   6.739  -1.023
  650   2HZ   LYS  77          1HZ       LYS  77 -21.068   5.415  -1.514
  651   3HZ   LYS  77          2HZ       LYS  77 -21.984   6.756  -1.470
  652    H    GLU  78           H        GLU  78 -17.639   3.027  -2.306
  653    HA   GLU  78           HA       GLU  78 -16.877   5.780  -2.751
  654   1HB   GLU  78          1HB       GLU  78 -18.418   4.090  -4.746
  655   2HB   GLU  78          2HB       GLU  78 -17.156   5.282  -5.027
  656   1HG   GLU  78          1HG       GLU  78 -15.496   3.547  -4.074
  657   2HG   GLU  78          2HG       GLU  78 -16.833   2.398  -4.093
   
  No H/Q in entry =         657
  Start of MODEL   13
    1   1H    GLY   1          2H        GLY   1 -16.924   0.202   4.108
    2   2H    GLY   1          3H        GLY   1 -18.476  -0.323   4.335
    3   3H    GLY   1          1H        GLY   1 -17.742   0.641   5.460
    4   1HA   GLY   1          1HA       GLY   1 -17.776  -1.622   6.254
    5   2HA   GLY   1          2HA       GLY   1 -16.944  -2.102   4.762
    6    H    TYR   2           H        TYR   2 -15.972  -2.497   7.481
    7    HA   TYR   2           HA       TYR   2 -13.909  -1.056   8.505
    8   1HB   TYR   2          1HB       TYR   2 -14.573  -3.205   9.346
    9   2HB   TYR   2          2HB       TYR   2 -14.235  -3.993   7.812
   10    HD1  TYR   2           HD1      TYR   2 -12.112  -1.716  10.007
   11    HD2  TYR   2           HD2      TYR   2 -12.582  -5.592   8.135
   12    HE1  TYR   2           HE1      TYR   2  -9.838  -2.324  10.685
   13    HE2  TYR   2           HE2      TYR   2 -10.290  -6.200   8.829
   14    HH   TYR   2           HH       TYR   2  -8.086  -3.777   9.988
   15    H    PHE   3           H        PHE   3 -13.704  -2.936   5.484
   16    HA   PHE   3           HA       PHE   3 -11.161  -2.838   4.779
   17   1HB   PHE   3          1HB       PHE   3 -13.639  -2.307   3.137
   18   2HB   PHE   3          2HB       PHE   3 -12.058  -2.279   2.407
   19    HD1  PHE   3           HD2      PHE   3 -10.451  -4.251   2.803
   20    HD2  PHE   3           HD1      PHE   3 -14.744  -4.451   3.268
   21    HE1  PHE   3           HE2      PHE   3 -10.388  -6.719   2.472
   22    HE2  PHE   3           HE1      PHE   3 -14.653  -6.908   2.957
   23    HZ   PHE   3           HZ       PHE   3 -12.484  -8.028   2.559
   24    H    CYS   4           H        CYS   4 -13.144   0.226   4.489
   25    HA   CYS   4           HA       CYS   4 -11.053   1.494   3.034
   26   1HB   CYS   4          1HB       CYS   4 -13.448   2.394   3.321
   27   2HB   CYS   4          2HB       CYS   4 -12.882   3.079   4.845
   28    H    GLU   5           H        GLU   5 -11.567   1.249   6.574
   29    HA   GLU   5           HA       GLU   5  -9.629   3.229   7.350
   30   1HB   GLU   5          1HB       GLU   5 -11.435   2.347   8.816
   31   2HB   GLU   5          2HB       GLU   5 -10.718   0.745   8.795
   32   1HG   GLU   5          1HG       GLU   5  -9.457   3.251   9.968
   33   2HG   GLU   5          2HG       GLU   5 -10.271   1.986  10.882
   34    H    SER   6           H        SER   6  -9.518  -0.353   7.418
   35    HA   SER   6           HA       SER   6  -6.725  -0.325   7.878
   36   1HB   SER   6          1HB       SER   6  -8.691  -2.486   7.254
   37   2HB   SER   6          2HB       SER   6  -6.944  -2.817   7.241
   38    HG   SER   6           HG       SER   6  -8.007  -1.281   9.383
   39    H    CYS   7           H        CYS   7  -8.447  -0.464   4.749
   40    HA   CYS   7           HA       CYS   7  -6.138  -0.999   3.137
   41   1HB   CYS   7          1HB       CYS   7  -8.341  -1.118   2.214
   42   2HB   CYS   7          2HB       CYS   7  -8.698   0.557   2.636
   43    H    ARG   8           H        ARG   8  -7.584   2.113   4.343
   44    HA   ARG   8           HA       ARG   8  -5.638   3.807   3.218
   45   1HB   ARG   8          1HB       ARG   8  -7.798   4.572   4.285
   46   2HB   ARG   8          2HB       ARG   8  -7.117   4.181   5.866
   47   1HG   ARG   8          1HG       ARG   8  -5.173   5.797   5.135
   48   2HG   ARG   8          2HG       ARG   8  -6.351   6.391   3.961
   49   1HD   ARG   8          1HD       ARG   8  -7.843   7.099   5.718
   50   2HD   ARG   8          2HD       ARG   8  -6.905   6.236   6.942
   51    HE   ARG   8           HE       ARG   8  -4.971   7.740   6.377
   52   1HH1  ARG   8          2HH2      ARG   8  -8.293   9.083   5.957
   53   2HH1  ARG   8          1HH2      ARG   8  -7.785  10.647   6.449
   54   1HH2  ARG   8          2HH1      ARG   8  -4.343   9.724   6.802
   55   2HH2  ARG   8          1HH1      ARG   8  -5.434  11.069   6.928
   56    H    LYS   9           H        LYS   9  -5.692   2.220   6.456
   57    HA   LYS   9           HA       LYS   9  -3.223   3.149   7.416
   58   1HB   LYS   9          1HB       LYS   9  -4.985   2.051   8.727
   59   2HB   LYS   9          2HB       LYS   9  -4.704   0.535   7.875
   60   1HG   LYS   9          1HG       LYS   9  -2.455   0.358   8.829
   61   2HG   LYS   9          2HG       LYS   9  -2.690   1.881   9.712
   62   1HD   LYS   9          1HD       LYS   9  -4.570  -0.505   9.981
   63   2HD   LYS   9          2HD       LYS   9  -3.124  -0.346  10.986
   64   1HE   LYS   9          1HE       LYS   9  -3.974   1.383  12.241
   65   2HE   LYS   9          2HE       LYS   9  -4.908   2.050  10.893
   66   1HZ   LYS   9          1HZ       LYS   9  -5.776  -0.421  12.251
   67   2HZ   LYS   9          2HZ       LYS   9  -6.295   1.116  12.618
   68   3HZ   LYS   9          3HZ       LYS   9  -6.578   0.549  11.155
   69    H    ILE  10           H        ILE  10  -3.898   0.272   5.382
   70    HA   ILE  10           HA       ILE  10  -1.248  -0.764   5.421
   71    HB   ILE  10           HB       ILE  10  -3.580  -1.182   3.548
   72   1HG1  ILE  10          1HG1      ILE  10  -2.176  -3.153   5.414
   73   2HG1  ILE  10          2HG1      ILE  10  -3.415  -2.072   6.015
   74   1HG2  ILE  10          2HG2      ILE  10  -0.860  -2.576   3.444
   75   2HG2  ILE  10          3HG2      ILE  10  -2.308  -3.113   2.568
   76   3HG2  ILE  10          1HG2      ILE  10  -1.573  -1.565   2.172
   77   1HD1  ILE  10          3HD1      ILE  10  -5.057  -3.001   4.412
   78   2HD1  ILE  10          1HD1      ILE  10  -3.830  -4.146   3.830
   79   3HD1  ILE  10          2HD1      ILE  10  -4.393  -4.232   5.501
   80    H    ILE  11           H        ILE  11  -2.820   1.485   3.004
   81    HA   ILE  11           HA       ILE  11  -0.299   1.792   1.638
   82    HB   ILE  11           HB       ILE  11  -2.821   3.432   1.563
   83   1HG1  ILE  11          1HG1      ILE  11  -1.859   2.670  -1.022
   84   2HG1  ILE  11          2HG1      ILE  11  -1.518   1.274  -0.022
   85   1HG2  ILE  11          2HG2      ILE  11  -0.169   4.090   0.198
   86   2HG2  ILE  11          3HG2      ILE  11  -1.727   4.848  -0.180
   87   3HG2  ILE  11          1HG2      ILE  11  -0.981   5.101   1.384
   88   1HD1  ILE  11          2HD1      ILE  11  -4.208   2.650  -0.281
   89   2HD1  ILE  11          3HD1      ILE  11  -3.704   1.137  -1.080
   90   3HD1  ILE  11          1HD1      ILE  11  -3.859   1.191   0.691
   91    H    GLN  12           H        GLN  12  -1.854   3.776   4.254
   92    HA   GLN  12           HA       GLN  12  -0.005   5.834   4.297
   93   1HB   GLN  12          1HB       GLN  12  -1.440   4.522   6.633
   94   2HB   GLN  12          2HB       GLN  12  -0.518   6.010   6.797
   95   1HG   GLN  12          1HG       GLN  12  -2.606   5.969   4.649
   96   2HG   GLN  12          2HG       GLN  12  -3.162   5.916   6.314
   97   1HE2  GLN  12          2HE2      GLN  12  -1.023   9.332   5.320
   98   2HE2  GLN  12          1HE2      GLN  12  -0.607   7.899   4.450
   99    H    LYS  13           H        LYS  13   0.331   2.706   6.090
  100    HA   LYS  13           HA       LYS  13   2.842   3.581   7.202
  101   1HB   LYS  13          1HB       LYS  13   1.328   1.716   8.116
  102   2HB   LYS  13          2HB       LYS  13   1.859   0.719   6.766
  103   1HG   LYS  13          1HG       LYS  13   3.102   0.037   8.667
  104   2HG   LYS  13          2HG       LYS  13   4.227   0.877   7.634
  105   1HD   LYS  13          1HD       LYS  13   3.046   2.787   9.519
  106   2HD   LYS  13          2HD       LYS  13   3.551   1.347  10.391
  107   1HE   LYS  13          1HE       LYS  13   5.405   2.840  10.437
  108   2HE   LYS  13          2HE       LYS  13   5.835   1.555   9.287
  109   1HZ   LYS  13          2HZ       LYS  13   5.207   3.120   7.487
  110   2HZ   LYS  13          3HZ       LYS  13   4.871   4.283   8.637
  111   3HZ   LYS  13          1HZ       LYS  13   6.331   3.832   8.442
  112    H    LEU  14           H        LEU  14   2.012   2.144   4.099
  113    HA   LEU  14           HA       LEU  14   4.702   1.218   3.463
  114   1HB   LEU  14          1HB       LEU  14   2.326   0.538   2.396
  115   2HB   LEU  14          2HB       LEU  14   2.558   1.968   1.442
  116    HG   LEU  14           HG       LEU  14   4.242  -0.537   1.488
  117   1HD1  LEU  14          2HD1      LEU  14   2.166  -0.542   0.177
  118   2HD1  LEU  14          3HD1      LEU  14   2.701   0.908  -0.697
  119   3HD1  LEU  14          1HD1      LEU  14   3.584  -0.605  -0.895
  120   1HD2  LEU  14          1HD2      LEU  14   4.980   2.032   0.061
  121   2HD2  LEU  14          2HD2      LEU  14   5.928   1.161   1.291
  122   3HD2  LEU  14          3HD2      LEU  14   5.670   0.433  -0.289
  123    H    GLU  15           H        GLU  15   2.602   3.940   2.605
  124    HA   GLU  15           HA       GLU  15   4.189   5.495   0.946
  125   1HB   GLU  15          1HB       GLU  15   1.733   5.581   1.302
  126   2HB   GLU  15          2HB       GLU  15   1.960   6.050   2.972
  127   1HG   GLU  15          1HG       GLU  15   2.787   8.261   2.258
  128   2HG   GLU  15          2HG       GLU  15   2.553   7.784   0.568
  129    H    ASP  16           H        ASP  16   3.752   5.710   4.477
  130    HA   ASP  16           HA       ASP  16   5.647   7.723   5.073
  131   1HB   ASP  16          1HB       ASP  16   4.018   7.001   6.662
  132   2HB   ASP  16          2HB       ASP  16   4.387   5.306   6.398
  133    H    MET  17           H        MET  17   6.140   4.183   4.756
  134    HA   MET  17           HA       MET  17   8.917   4.372   5.572
  135   1HB   MET  17          1HB       MET  17   7.173   2.187   4.386
  136   2HB   MET  17          2HB       MET  17   8.923   1.967   4.518
  137   1HG   MET  17          1HG       MET  17   8.925   2.101   6.849
  138   2HG   MET  17          2HG       MET  17   7.349   2.864   6.913
  139   1HE   MET  17          2HE       MET  17   9.057  -0.513   5.646
  140   2HE   MET  17          3HE       MET  17   7.633  -1.584   5.610
  141   3HE   MET  17          1HE       MET  17   7.729  -0.211   4.504
  142    H    VAL  18           H        VAL  18   7.325   3.915   2.351
  143    HA   VAL  18           HA       VAL  18   9.874   3.719   1.013
  144    HB   VAL  18           HB       VAL  18   7.628   2.682   0.371
  145   1HG1  VAL  18          3HG1      VAL  18   6.275   4.755   0.362
  146   2HG1  VAL  18          1HG1      VAL  18   7.155   5.276  -1.078
  147   3HG1  VAL  18          2HG1      VAL  18   6.179   3.799  -1.138
  148   1HG2  VAL  18          3HG2      VAL  18   9.628   3.855  -1.515
  149   2HG2  VAL  18          1HG2      VAL  18   9.405   2.204  -0.932
  150   3HG2  VAL  18          2HG2      VAL  18   8.259   2.876  -2.098
  151    H    GLY  19           H        GLY  19   7.746   6.316   1.982
  152   1HA   GLY  19          1HA       GLY  19   8.172   8.500   2.176
  153   2HA   GLY  19          2HA       GLY  19   9.635   8.376   1.176
  154    HA   PRO  20           HA       PRO  20   5.837   9.854  -1.143
  155   1HB   PRO  20          1HB       PRO  20   6.188  12.585  -1.356
  156   2HB   PRO  20          2HB       PRO  20   5.500  11.789   0.089
  157   1HG   PRO  20          1HG       PRO  20   8.392  12.615  -0.364
  158   2HG   PRO  20          2HG       PRO  20   7.352  12.961   1.052
  159   1HD   PRO  20          1HD       PRO  20   9.114  10.875   1.000
  160   2HD   PRO  20          2HD       PRO  20   7.532  10.743   1.827
  161    H    GLN  21           H        GLN  21   8.899   9.624  -2.012
  162    HA   GLN  21           HA       GLN  21   8.206   9.972  -4.874
  163   1HB   GLN  21          1HB       GLN  21  10.802  11.160  -3.825
  164   2HB   GLN  21          2HB       GLN  21  10.323  10.978  -5.503
  165   1HG   GLN  21          1HG       GLN  21   9.824  13.180  -5.196
  166   2HG   GLN  21          2HG       GLN  21   8.254  12.451  -4.887
  167   1HE2  GLN  21          2HE2      GLN  21  10.371  13.907  -1.630
  168   2HE2  GLN  21          1HE2      GLN  21  11.259  13.034  -2.874
  169    HA   PRO  22           HA       PRO  22  10.614   6.132  -4.089
  170   1HB   PRO  22          1HB       PRO  22   8.770   4.245  -3.974
  171   2HB   PRO  22          2HB       PRO  22   8.799   5.519  -2.712
  172   1HG   PRO  22          1HG       PRO  22   7.042   5.463  -5.198
  173   2HG   PRO  22          2HG       PRO  22   6.555   5.628  -3.481
  174   1HD   PRO  22          1HD       PRO  22   7.071   7.798  -5.161
  175   2HD   PRO  22          2HD       PRO  22   7.250   7.834  -3.382
  176    H    ASN  23           H        ASN  23  10.347   3.877  -5.435
  177    HA   ASN  23           HA       ASN  23   9.478   4.265  -8.213
  178   1HB   ASN  23          1HB       ASN  23  11.481   3.287  -9.121
  179   2HB   ASN  23          2HB       ASN  23  11.926   4.707  -8.175
  180   1HD2  ASN  23          2HD2      ASN  23  13.676   1.256  -7.190
  181   2HD2  ASN  23          1HD2      ASN  23  12.912   1.498  -8.746
  182    H    GLU  24           H        GLU  24   8.999   2.201  -9.180
  183    HA   GLU  24           HA       GLU  24   7.324   0.557  -7.904
  184   1HB   GLU  24          1HB       GLU  24   7.469   0.658 -10.286
  185   2HB   GLU  24          2HB       GLU  24   9.145   0.200 -10.270
  186   1HG   GLU  24          1HG       GLU  24   8.143  -1.646 -11.175
  187   2HG   GLU  24          2HG       GLU  24   8.428  -2.160  -9.533
  188    H    ASP  25           H        ASP  25  10.857  -0.179  -8.014
  189    HA   ASP  25           HA       ASP  25  10.452  -2.792  -6.801
  190   1HB   ASP  25          1HB       ASP  25  12.495  -2.423  -8.076
  191   2HB   ASP  25          2HB       ASP  25  12.991  -1.129  -6.963
  192    H    THR  26           H        THR  26  11.754   0.359  -5.536
  193    HA   THR  26           HA       THR  26  11.965  -0.458  -2.929
  194    HB   THR  26           HB       THR  26  11.318   2.363  -3.842
  195    HG1  THR  26           HG1      THR  26  13.172   2.302  -4.792
  196   1HG2  THR  26          3HG2      THR  26  11.529   1.981  -1.326
  197   2HG2  THR  26          1HG2      THR  26  13.144   1.324  -1.613
  198   3HG2  THR  26          2HG2      THR  26  12.795   3.022  -1.994
  199    H    VAL  27           H        VAL  27   9.049   0.747  -4.598
  200    HA   VAL  27           HA       VAL  27   7.391   0.814  -2.221
  201    HB   VAL  27           HB       VAL  27   6.473   0.262  -5.081
  202   1HG1  VAL  27          1HG1      VAL  27   4.977   1.201  -2.584
  203   2HG1  VAL  27          2HG1      VAL  27   4.288   1.185  -4.213
  204   3HG1  VAL  27          3HG1      VAL  27   4.743  -0.337  -3.444
  205   1HG2  VAL  27          3HG2      VAL  27   7.615   2.483  -4.909
  206   2HG2  VAL  27          1HG2      VAL  27   5.897   2.622  -5.251
  207   3HG2  VAL  27          2HG2      VAL  27   6.498   2.936  -3.608
  208    H    THR  28           H        THR  28   8.172  -1.798  -4.576
  209    HA   THR  28           HA       THR  28   6.448  -3.748  -3.423
  210    HB   THR  28           HB       THR  28   8.923  -3.986  -5.187
  211    HG1  THR  28           HG1      THR  28   7.412  -2.998  -6.310
  212   1HG2  THR  28          3HG2      THR  28   6.867  -6.063  -4.353
  213   2HG2  THR  28          1HG2      THR  28   7.910  -6.209  -5.796
  214   3HG2  THR  28          2HG2      THR  28   8.634  -6.141  -4.185
  215    H    GLN  29           H        GLN  29  10.022  -3.176  -2.898
  216    HA   GLN  29           HA       GLN  29  10.082  -5.279  -0.927
  217   1HB   GLN  29          1HB       GLN  29  12.286  -4.405  -0.265
  218   2HB   GLN  29          2HB       GLN  29  12.126  -4.855  -1.958
  219   1HG   GLN  29          1HG       GLN  29  12.145  -2.610  -2.694
  220   2HG   GLN  29          2HG       GLN  29  11.931  -1.966  -1.052
  221   1HE2  GLN  29          2HE2      GLN  29  15.663  -2.628  -2.407
  222   2HE2  GLN  29          1HE2      GLN  29  14.273  -2.711  -3.476
  223    H    ALA  30           H        ALA  30   9.665  -1.691  -0.610
  224    HA   ALA  30           HA       ALA  30   9.573  -1.644   2.213
  225   1HB   ALA  30          3HB       ALA  30   9.673   0.408   0.881
  226   2HB   ALA  30          1HB       ALA  30   8.048   0.093   0.232
  227   3HB   ALA  30          2HB       ALA  30   8.270   0.437   1.961
  228    H    ALA  31           H        ALA  31   7.002  -2.405  -0.179
  229    HA   ALA  31           HA       ALA  31   4.917  -2.800   1.699
  230   1HB   ALA  31          3HB       ALA  31   4.516  -2.607  -0.755
  231   2HB   ALA  31          1HB       ALA  31   5.291  -4.174  -1.022
  232   3HB   ALA  31          2HB       ALA  31   3.794  -4.081  -0.086
  233    H    SER  32           H        SER  32   7.348  -5.177   0.362
  234    HA   SER  32           HA       SER  32   6.324  -7.448   1.719
  235   1HB   SER  32          1HB       SER  32   8.392  -8.488   1.376
  236   2HB   SER  32          2HB       SER  32   8.251  -7.351   0.030
  237    HG   SER  32           HG       SER  32   9.631  -5.912   1.298
  238    H    GLN  33           H        GLN  33   8.193  -4.741   3.003
  239    HA   GLN  33           HA       GLN  33   8.207  -5.860   5.715
  240   1HB   GLN  33          1HB       GLN  33   9.215  -3.317   4.416
  241   2HB   GLN  33          2HB       GLN  33   9.042  -3.387   6.161
  242   1HG   GLN  33          1HG       GLN  33  10.642  -5.456   4.585
  243   2HG   GLN  33          2HG       GLN  33  11.341  -3.961   5.232
  244   1HE2  GLN  33          2HE2      GLN  33  10.886  -7.028   7.784
  245   2HE2  GLN  33          1HE2      GLN  33  10.896  -7.190   6.037
  246    H    VAL  34           H        VAL  34   6.199  -3.540   3.838
  247    HA   VAL  34           HA       VAL  34   5.074  -2.250   6.010
  248    HB   VAL  34           HB       VAL  34   4.726  -1.720   3.564
  249   1HG1  VAL  34          3HG1      VAL  34   3.278  -3.828   2.910
  250   2HG1  VAL  34          1HG1      VAL  34   2.016  -2.988   3.783
  251   3HG1  VAL  34          2HG1      VAL  34   2.773  -2.215   2.399
  252   1HG2  VAL  34          2HG2      VAL  34   2.643  -1.428   5.682
  253   2HG2  VAL  34          3HG2      VAL  34   4.010  -0.344   5.238
  254   3HG2  VAL  34          1HG2      VAL  34   2.617  -0.548   4.150
  255    H    CYS  35           H        CYS  35   4.173  -5.282   4.381
  256    HA   CYS  35           HA       CYS  35   1.983  -5.928   6.126
  257   1HB   CYS  35          1HB       CYS  35   3.635  -7.777   4.371
  258   2HB   CYS  35          2HB       CYS  35   2.086  -8.144   5.138
  259    H    ASP  36           H        ASP  36   5.503  -7.033   6.191
  260    HA   ASP  36           HA       ASP  36   5.048  -8.704   8.429
  261   1HB   ASP  36          1HB       ASP  36   7.225  -8.870   7.442
  262   2HB   ASP  36          2HB       ASP  36   7.591  -7.173   7.854
  263    H    LYS  37           H        LYS  37   5.785  -5.257   8.280
  264    HA   LYS  37           HA       LYS  37   6.049  -4.906  11.106
  265   1HB   LYS  37          1HB       LYS  37   7.064  -3.687   9.113
  266   2HB   LYS  37          2HB       LYS  37   5.552  -2.780   8.975
  267   1HG   LYS  37          1HG       LYS  37   5.944  -1.838  11.231
  268   2HG   LYS  37          2HG       LYS  37   7.369  -2.870  11.424
  269   1HD   LYS  37          1HD       LYS  37   7.005  -0.523   9.548
  270   2HD   LYS  37          2HD       LYS  37   8.168  -0.677  10.852
  271   1HE   LYS  37          1HE       LYS  37   8.184  -2.172   8.188
  272   2HE   LYS  37          2HE       LYS  37   9.237  -0.835   8.631
  273   1HZ   LYS  37          3HZ       LYS  37   9.257  -3.437  10.040
  274   2HZ   LYS  37          1HZ       LYS  37  10.225  -3.110   8.795
  275   3HZ   LYS  37          2HZ       LYS  37  10.371  -2.219  10.170
  276    H    LEU  38           H        LEU  38   3.312  -4.400   8.790
  277    HA   LEU  38           HA       LEU  38   1.537  -3.593  11.012
  278   1HB   LEU  38          1HB       LEU  38   1.007  -4.301   8.089
  279   2HB   LEU  38          2HB       LEU  38  -0.250  -3.890   9.243
  280    HG   LEU  38           HG       LEU  38   1.990  -1.995   8.436
  281   1HD1  LEU  38          1HD1      LEU  38  -0.933  -2.141   7.566
  282   2HD1  LEU  38          2HD1      LEU  38   0.207  -0.846   7.151
  283   3HD1  LEU  38          3HD1      LEU  38   0.490  -2.487   6.555
  284   1HD2  LEU  38          3HD2      LEU  38  -0.556  -1.564  10.074
  285   2HD2  LEU  38          1HD2      LEU  38   1.119  -1.435  10.661
  286   3HD2  LEU  38          2HD2      LEU  38   0.509  -0.270   9.486
  287    H    LYS  39           H        LYS  39   2.173  -5.479  12.320
  288    HA   LYS  39           HA       LYS  39   1.143  -8.034  11.296
  289   1HB   LYS  39          1HB       LYS  39   1.753  -9.035  13.483
  290   2HB   LYS  39          2HB       LYS  39   3.009  -8.580  12.366
  291   1HG   LYS  39          1HG       LYS  39   2.356  -6.569  14.495
  292   2HG   LYS  39          2HG       LYS  39   3.065  -8.089  15.050
  293   1HD   LYS  39          1HD       LYS  39   4.278  -6.381  12.851
  294   2HD   LYS  39          2HD       LYS  39   4.751  -6.260  14.542
  295   1HE   LYS  39          1HE       LYS  39   5.725  -8.445  14.550
  296   2HE   LYS  39          2HE       LYS  39   4.911  -8.904  13.051
  297   1HZ   LYS  39          2HZ       LYS  39   6.304  -7.368  11.833
  298   2HZ   LYS  39          3HZ       LYS  39   7.109  -6.931  13.202
  299   3HZ   LYS  39          1HZ       LYS  39   7.212  -8.439  12.574
  300    H    ILE  40           H        ILE  40  -0.465  -9.266  12.740
  301    HA   ILE  40           HA       ILE  40  -2.597  -9.499  13.441
  302    HB   ILE  40           HB       ILE  40  -2.778  -6.476  13.891
  303   1HG1  ILE  40          1HG1      ILE  40  -2.524  -8.740  15.924
  304   2HG1  ILE  40          2HG1      ILE  40  -1.170  -7.738  15.400
  305   1HG2  ILE  40          3HG2      ILE  40  -4.966  -7.461  13.345
  306   2HG2  ILE  40          1HG2      ILE  40  -4.745  -8.676  14.619
  307   3HG2  ILE  40          2HG2      ILE  40  -4.888  -6.952  15.017
  308   1HD1  ILE  40          1HD1      ILE  40  -2.362  -5.702  16.218
  309   2HD1  ILE  40          2HD1      ILE  40  -3.625  -6.759  16.897
  310   3HD1  ILE  40          3HD1      ILE  40  -1.963  -6.874  17.489
  311    H    LEU  41           H        LEU  41  -2.233  -6.459  11.555
  312    HA   LEU  41           HA       LEU  41  -4.344  -7.197   9.717
  313   1HB   LEU  41          1HB       LEU  41  -3.759  -4.892  10.624
  314   2HB   LEU  41          2HB       LEU  41  -2.321  -4.913   9.605
  315    HG   LEU  41           HG       LEU  41  -3.712  -4.901   7.582
  316   1HD1  LEU  41          1HD1      LEU  41  -6.056  -5.060   9.532
  317   2HD1  LEU  41          2HD1      LEU  41  -6.212  -4.694   7.809
  318   3HD1  LEU  41          3HD1      LEU  41  -5.630  -6.268   8.307
  319   1HD2  LEU  41          2HD2      LEU  41  -3.182  -2.755   8.701
  320   2HD2  LEU  41          3HD2      LEU  41  -4.732  -2.694   7.852
  321   3HD2  LEU  41          1HD2      LEU  41  -4.706  -2.871   9.615
  322    H    ARG  42           H        ARG  42  -1.550  -8.505   9.948
  323    HA   ARG  42           HA       ARG  42   0.048  -8.289   7.694
  324   1HB   ARG  42          1HB       ARG  42   0.377  -9.488   9.932
  325   2HB   ARG  42          2HB       ARG  42  -0.568 -10.823   9.299
  326   1HG   ARG  42          1HG       ARG  42   1.217 -11.168   7.543
  327   2HG   ARG  42          2HG       ARG  42   2.142  -9.850   8.304
  328   1HD   ARG  42          1HD       ARG  42   1.873 -11.165  10.529
  329   2HD   ARG  42          2HD       ARG  42   1.285 -12.506   9.554
  330    HE   ARG  42           HE       ARG  42   3.430 -13.007   8.963
  331   1HH1  ARG  42          2HH2      ARG  42   3.498  -9.629  10.250
  332   2HH1  ARG  42          1HH2      ARG  42   5.227  -9.692  10.394
  333   1HH2  ARG  42          2HH1      ARG  42   5.829 -12.867   9.242
  334   2HH2  ARG  42          1HH1      ARG  42   6.438 -11.320   9.773
  335    H    GLY  43           H        GLY  43  -2.796 -10.368   8.252
  336   1HA   GLY  43          1HA       GLY  43  -2.718 -11.934   5.883
  337   2HA   GLY  43          2HA       GLY  43  -4.148 -11.605   6.874
  338    H    LEU  44           H        LEU  44  -4.699  -8.961   6.630
  339    HA   LEU  44           HA       LEU  44  -5.859  -8.905   4.052
  340   1HB   LEU  44          1HB       LEU  44  -6.864  -7.713   5.965
  341   2HB   LEU  44          2HB       LEU  44  -5.484  -6.606   6.007
  342    HG   LEU  44           HG       LEU  44  -6.064  -5.708   3.799
  343   1HD1  LEU  44          3HD1      LEU  44  -8.461  -7.593   3.852
  344   2HD1  LEU  44          1HD1      LEU  44  -8.176  -6.286   2.677
  345   3HD1  LEU  44          2HD1      LEU  44  -7.093  -7.672   2.710
  346   1HD2  LEU  44          3HD2      LEU  44  -8.488  -5.796   5.648
  347   2HD2  LEU  44          1HD2      LEU  44  -7.128  -4.656   5.741
  348   3HD2  LEU  44          2HD2      LEU  44  -8.214  -4.616   4.352
  349    H    CYS  45           H        CYS  45  -3.045  -7.076   5.406
  350    HA   CYS  45           HA       CYS  45  -2.316  -5.647   3.154
  351   1HB   CYS  45          1HB       CYS  45  -1.306  -5.489   5.401
  352   2HB   CYS  45          2HB       CYS  45  -0.505  -7.043   5.178
  353    H    LYS  46           H        LYS  46  -1.156  -9.024   3.911
  354    HA   LYS  46           HA       LYS  46   0.251  -9.202   1.436
  355   1HB   LYS  46          1HB       LYS  46  -0.742 -11.373   3.294
  356   2HB   LYS  46          2HB       LYS  46   0.115 -11.711   1.774
  357   1HG   LYS  46          1HG       LYS  46   1.955 -10.112   2.528
  358   2HG   LYS  46          2HG       LYS  46   1.132 -10.005   4.082
  359   1HD   LYS  46          1HD       LYS  46   2.852 -11.527   4.399
  360   2HD   LYS  46          2HD       LYS  46   1.391 -12.508   4.307
  361   1HE   LYS  46          1HE       LYS  46   3.015 -13.700   3.059
  362   2HE   LYS  46          2HE       LYS  46   1.979 -12.946   1.847
  363   1HZ   LYS  46          1HZ       LYS  46   3.698 -11.225   1.589
  364   2HZ   LYS  46          2HZ       LYS  46   4.644 -11.965   2.713
  365   3HZ   LYS  46          3HZ       LYS  46   4.315 -12.720   1.302
  366    H    LYS  47           H        LYS  47  -3.197  -9.928   2.158
  367    HA   LYS  47           HA       LYS  47  -3.732 -10.979  -0.465
  368   1HB   LYS  47          1HB       LYS  47  -5.300 -11.364   1.315
  369   2HB   LYS  47          2HB       LYS  47  -5.590  -9.653   1.566
  370   1HG   LYS  47          1HG       LYS  47  -6.179 -10.914  -1.137
  371   2HG   LYS  47          2HG       LYS  47  -7.277 -11.163   0.207
  372   1HD   LYS  47          1HD       LYS  47  -8.285  -9.204  -0.106
  373   2HD   LYS  47          2HD       LYS  47  -6.776  -8.340   0.099
  374   1HE   LYS  47          1HE       LYS  47  -7.711  -7.686  -2.008
  375   2HE   LYS  47          2HE       LYS  47  -6.257  -8.626  -2.307
  376   1HZ   LYS  47          2HZ       LYS  47  -7.772 -10.549  -2.733
  377   2HZ   LYS  47          3HZ       LYS  47  -9.047  -9.502  -2.700
  378   3HZ   LYS  47          1HZ       LYS  47  -7.851  -9.339  -3.822
  379    H    ILE  48           H        ILE  48  -3.783  -7.585   0.785
  380    HA   ILE  48           HA       ILE  48  -4.862  -6.394  -1.566
  381    HB   ILE  48           HB       ILE  48  -2.917  -5.285   0.503
  382   1HG1  ILE  48          1HG1      ILE  48  -5.081  -5.786   1.507
  383   2HG1  ILE  48          2HG1      ILE  48  -4.799  -4.067   1.434
  384   1HG2  ILE  48          2HG2      ILE  48  -4.372  -3.784  -1.706
  385   2HG2  ILE  48          3HG2      ILE  48  -3.565  -3.023  -0.317
  386   3HG2  ILE  48          1HG2      ILE  48  -2.624  -3.952  -1.477
  387   1HD1  ILE  48          2HD1      ILE  48  -6.334  -3.919  -0.513
  388   2HD1  ILE  48          3HD1      ILE  48  -6.629  -5.675  -0.394
  389   3HD1  ILE  48          1HD1      ILE  48  -7.110  -4.597   0.928
  390    H    MET  49           H        MET  49  -1.409  -6.773  -0.583
  391    HA   MET  49           HA       MET  49  -0.337  -5.897  -3.036
  392   1HB   MET  49          1HB       MET  49   0.722  -7.627  -0.772
  393   2HB   MET  49          2HB       MET  49   1.688  -7.297  -2.218
  394   1HG   MET  49          1HG       MET  49   2.216  -5.691  -0.473
  395   2HG   MET  49          2HG       MET  49   1.522  -4.910  -1.892
  396   1HE   MET  49          2HE       MET  49   0.959  -2.676  -1.016
  397   2HE   MET  49          3HE       MET  49   0.181  -2.328   0.544
  398   3HE   MET  49          1HE       MET  49   1.808  -3.039   0.500
  399    H    ARG  50           H        ARG  50  -0.973  -9.402  -2.068
  400    HA   ARG  50           HA       ARG  50   0.118 -10.372  -4.515
  401   1HB   ARG  50          1HB       ARG  50  -0.571 -11.646  -2.383
  402   2HB   ARG  50          2HB       ARG  50  -2.191 -11.723  -3.037
  403   1HG   ARG  50          1HG       ARG  50   0.264 -12.823  -4.504
  404   2HG   ARG  50          2HG       ARG  50  -0.613 -13.718  -3.286
  405   1HD   ARG  50          1HD       ARG  50  -1.559 -14.632  -5.101
  406   2HD   ARG  50          2HD       ARG  50  -2.722 -13.342  -4.801
  407    HE   ARG  50           HE       ARG  50  -1.458 -12.024  -6.530
  408   1HH1  ARG  50          2HH2      ARG  50  -1.423 -15.587  -6.810
  409   2HH1  ARG  50          1HH2      ARG  50  -1.187 -15.565  -8.512
  410   1HH2  ARG  50          2HH1      ARG  50  -1.166 -12.008  -8.733
  411   2HH2  ARG  50          1HH1      ARG  50  -1.031 -13.465  -9.643
  412    H    SER  51           H        SER  51  -3.141  -9.244  -3.733
  413    HA   SER  51           HA       SER  51  -4.304 -10.092  -6.251
  414   1HB   SER  51          1HB       SER  51  -5.370  -9.843  -3.942
  415   2HB   SER  51          2HB       SER  51  -5.339  -8.091  -4.203
  416    HG   SER  51           HG       SER  51  -6.613  -8.626  -6.156
  417    H    PHE  52           H        PHE  52  -2.859  -6.982  -5.072
  418    HA   PHE  52           HA       PHE  52  -3.382  -5.814  -7.763
  419   1HB   PHE  52          1HB       PHE  52  -3.849  -4.275  -5.200
  420   2HB   PHE  52          2HB       PHE  52  -4.430  -3.917  -6.810
  421    HD1  PHE  52           HD2      PHE  52  -6.171  -5.810  -7.778
  422    HD2  PHE  52           HD1      PHE  52  -5.423  -4.849  -3.642
  423    HE1  PHE  52           HE2      PHE  52  -8.448  -6.579  -7.182
  424    HE2  PHE  52           HE1      PHE  52  -7.716  -5.583  -3.056
  425    HZ   PHE  52           HZ       PHE  52  -9.238  -6.454  -4.834
  426    H    LEU  53           H        LEU  53  -0.728  -6.708  -6.528
  427    HA   LEU  53           HA       LEU  53   0.580  -4.678  -5.302
  428   1HB   LEU  53          1HB       LEU  53   1.563  -6.904  -5.613
  429   2HB   LEU  53          2HB       LEU  53   1.832  -6.575  -7.319
  430    HG   LEU  53           HG       LEU  53   3.505  -4.888  -6.778
  431   1HD1  LEU  53          2HD1      LEU  53   2.834  -5.394  -3.832
  432   2HD1  LEU  53          3HD1      LEU  53   4.230  -4.472  -4.434
  433   3HD1  LEU  53          1HD1      LEU  53   2.609  -3.859  -4.715
  434   1HD2  LEU  53          1HD2      LEU  53   4.079  -7.332  -6.760
  435   2HD2  LEU  53          2HD2      LEU  53   5.136  -6.349  -5.745
  436   3HD2  LEU  53          3HD2      LEU  53   3.864  -7.342  -4.991
  437    H    ARG  54           H        ARG  54   0.897  -5.044  -8.943
  438    HA   ARG  54           HA       ARG  54   2.301  -2.586  -9.072
  439   1HB   ARG  54          1HB       ARG  54   2.274  -4.324 -10.830
  440   2HB   ARG  54          2HB       ARG  54   0.694  -3.747 -11.371
  441   1HG   ARG  54          1HG       ARG  54   1.544  -1.701 -12.141
  442   2HG   ARG  54          2HG       ARG  54   2.935  -1.719 -11.063
  443   1HD   ARG  54          1HD       ARG  54   2.681  -3.646 -13.397
  444   2HD   ARG  54          2HD       ARG  54   3.412  -2.032 -13.529
  445    HE   ARG  54           HE       ARG  54   4.733  -3.104 -11.376
  446   1HH1  ARG  54          2HH2      ARG  54   4.524  -3.887 -14.825
  447   2HH1  ARG  54          1HH2      ARG  54   6.077  -4.649 -14.869
  448   1HH2  ARG  54          2HH1      ARG  54   6.607  -4.072 -11.388
  449   2HH2  ARG  54          1HH1      ARG  54   7.385  -4.765 -12.792
  450    H    ARG  55           H        ARG  55  -1.197  -2.991  -8.519
  451    HA   ARG  55           HA       ARG  55  -1.808  -0.398  -9.584
  452   1HB   ARG  55          1HB       ARG  55  -3.225  -2.303  -7.696
  453   2HB   ARG  55          2HB       ARG  55  -3.722  -0.681  -7.805
  454   1HG   ARG  55          1HG       ARG  55  -3.719  -2.605 -10.129
  455   2HG   ARG  55          2HG       ARG  55  -5.082  -2.388  -9.051
  456   1HD   ARG  55          1HD       ARG  55  -4.125   0.062 -10.499
  457   2HD   ARG  55          2HD       ARG  55  -4.883  -1.193 -11.455
  458    HE   ARG  55           HE       ARG  55  -6.694  -0.919  -9.455
  459   1HH1  ARG  55          2HH2      ARG  55  -5.266   1.550 -11.634
  460   2HH1  ARG  55          1HH2      ARG  55  -6.668   2.558 -11.502
  461   1HH2  ARG  55          2HH1      ARG  55  -8.617   0.564  -9.446
  462   2HH2  ARG  55          1HH1      ARG  55  -8.345   2.127 -10.023
  463    H    ILE  56           H        ILE  56  -1.067  -1.873  -6.305
  464    HA   ILE  56           HA       ILE  56  -1.195   0.581  -4.944
  465    HB   ILE  56           HB       ILE  56   0.618  -1.661  -4.081
  466   1HG1  ILE  56          1HG1      ILE  56  -1.380  -2.814  -4.360
  467   2HG1  ILE  56          2HG1      ILE  56  -1.410  -2.337  -2.683
  468   1HG2  ILE  56          3HG2      ILE  56  -0.868   0.555  -2.587
  469   2HG2  ILE  56          1HG2      ILE  56   0.007  -0.774  -1.804
  470   3HG2  ILE  56          2HG2      ILE  56   0.885   0.396  -2.783
  471   1HD1  ILE  56          1HD1      ILE  56  -2.964  -0.437  -3.313
  472   2HD1  ILE  56          2HD1      ILE  56  -3.040  -1.112  -4.952
  473   3HD1  ILE  56          3HD1      ILE  56  -3.618  -2.070  -3.599
  474    H    SER  57           H        SER  57   1.448  -0.789  -6.890
  475    HA   SER  57           HA       SER  57   3.399   1.166  -6.154
  476   1HB   SER  57          1HB       SER  57   3.844  -1.031  -7.294
  477   2HB   SER  57          2HB       SER  57   3.099  -0.377  -8.766
  478    HG   SER  57           HG       SER  57   5.166  -0.045  -9.009
  479    H    TRP  58           H        TRP  58   1.298   1.042  -9.145
  480    HA   TRP  58           HA       TRP  58   1.774   3.587 -10.163
  481   1HB   TRP  58          1HB       TRP  58   0.296   2.602 -11.568
  482   2HB   TRP  58          2HB       TRP  58  -0.449   1.653 -10.301
  483    HD1  TRP  58           HD1      TRP  58  -0.678   5.309 -11.606
  484    HE1  TRP  58           HE1      TRP  58  -3.006   6.198 -11.216
  485    HE3  TRP  58           HE3      TRP  58  -2.654   1.324  -9.127
  486    HZ2  TRP  58           HZ2      TRP  58  -5.476   5.281  -9.813
  487    HZ3  TRP  58           HZ3      TRP  58  -4.824   1.369  -8.163
  488    HH2  TRP  58           HH2      TRP  58  -6.267   3.293  -8.388
  489    H    ASP  59           H        ASP  59  -0.458   2.697  -7.590
  490    HA   ASP  59           HA       ASP  59  -1.628   5.182  -7.051
  491   1HB   ASP  59          1HB       ASP  59  -1.016   2.767  -5.316
  492   2HB   ASP  59          2HB       ASP  59  -1.768   4.186  -4.656
  493    HD1  ASP  59           HD2      ASP  59  -4.266   3.608  -7.369
  494    H    ILE  60           H        ILE  60   1.329   3.811  -5.367
  495    HA   ILE  60           HA       ILE  60   1.661   6.230  -3.880
  496    HB   ILE  60           HB       ILE  60   3.900   4.287  -4.476
  497   1HG1  ILE  60          1HG1      ILE  60   2.521   2.772  -3.436
  498   2HG1  ILE  60          2HG1      ILE  60   3.318   3.474  -2.064
  499   1HG2  ILE  60          1HG2      ILE  60   4.460   6.510  -3.451
  500   2HG2  ILE  60          2HG2      ILE  60   3.266   6.236  -2.180
  501   3HG2  ILE  60          3HG2      ILE  60   4.703   5.214  -2.284
  502   1HD1  ILE  60          2HD1      ILE  60   1.255   4.905  -1.690
  503   2HD1  ILE  60          3HD1      ILE  60   0.454   3.931  -2.951
  504   3HD1  ILE  60          1HD1      ILE  60   1.053   3.144  -1.493
  505    H    LEU  61           H        LEU  61   3.048   4.983  -6.943
  506    HA   LEU  61           HA       LEU  61   4.965   7.001  -7.393
  507   1HB   LEU  61          1HB       LEU  61   3.405   5.293  -9.366
  508   2HB   LEU  61          2HB       LEU  61   4.796   6.273  -9.808
  509    HG   LEU  61           HG       LEU  61   4.982   4.063  -7.721
  510   1HD1  LEU  61          1HD1      LEU  61   5.554   3.904 -10.715
  511   2HD1  LEU  61          2HD1      LEU  61   5.899   2.638  -9.513
  512   3HD1  LEU  61          3HD1      LEU  61   4.229   3.084  -9.859
  513   1HD2  LEU  61          1HD2      LEU  61   6.838   5.739  -7.733
  514   2HD2  LEU  61          2HD2      LEU  61   7.322   4.092  -8.140
  515   3HD2  LEU  61          3HD2      LEU  61   7.164   5.314  -9.425
  516    H    THR  62           H        THR  62   1.495   7.006  -8.180
  517    HA   THR  62           HA       THR  62   1.742   9.637  -9.521
  518    HB   THR  62           HB       THR  62  -0.737   9.401  -9.833
  519    HG1  THR  62           HG1      THR  62  -0.270   6.753  -8.913
  520   1HG2  THR  62          1HG2      THR  62   0.892   8.768 -11.574
  521   2HG2  THR  62          2HG2      THR  62   0.953   7.116 -10.932
  522   3HG2  THR  62          3HG2      THR  62  -0.559   7.759 -11.622
  523    H    GLY  63           H        GLY  63   2.276   9.048  -6.567
  524   1HA   GLY  63          1HA       GLY  63   1.847   9.734  -4.480
  525   2HA   GLY  63          2HA       GLY  63   1.756  11.325  -5.252
  526    H    LYS  64           H        LYS  64  -0.533   8.489  -5.385
  527    HA   LYS  64           HA       LYS  64  -2.675  10.462  -5.047
  528   1HB   LYS  64          1HB       LYS  64  -2.690   8.574  -6.704
  529   2HB   LYS  64          2HB       LYS  64  -2.822   7.418  -5.374
  530   1HG   LYS  64          1HG       LYS  64  -4.991   8.419  -4.721
  531   2HG   LYS  64          2HG       LYS  64  -4.820   9.659  -5.962
  532   1HD   LYS  64          1HD       LYS  64  -5.081   6.664  -6.510
  533   2HD   LYS  64          2HD       LYS  64  -6.393   7.840  -6.572
  534   1HE   LYS  64          1HE       LYS  64  -4.502   9.021  -8.235
  535   2HE   LYS  64          2HE       LYS  64  -4.202   7.308  -8.523
  536   1HZ   LYS  64          3HZ       LYS  64  -6.615   7.084  -9.031
  537   2HZ   LYS  64          1HZ       LYS  64  -6.825   8.674  -8.823
  538   3HZ   LYS  64          2HZ       LYS  64  -5.875   8.134 -10.047
  539    H    LYS  65           H        LYS  65  -4.067  10.469  -3.259
  540    HA   LYS  65           HA       LYS  65  -2.651   9.686  -0.801
  541   1HB   LYS  65          1HB       LYS  65  -5.132  11.292  -1.349
  542   2HB   LYS  65          2HB       LYS  65  -4.820  10.742   0.278
  543   1HG   LYS  65          1HG       LYS  65  -3.954  13.100  -0.718
  544   2HG   LYS  65          2HG       LYS  65  -3.240  12.297   0.656
  545   1HD   LYS  65          1HD       LYS  65  -2.083  12.006  -2.153
  546   2HD   LYS  65          2HD       LYS  65  -1.679  13.318  -1.080
  547   1HE   LYS  65          1HE       LYS  65  -0.255  12.130   0.157
  548   2HE   LYS  65          2HE       LYS  65  -1.404  10.825   0.390
  549   1HZ   LYS  65          2HZ       LYS  65  -0.699   9.932  -1.792
  550   2HZ   LYS  65          3HZ       LYS  65   0.495  11.078  -1.850
  551   3HZ   LYS  65          1HZ       LYS  65   0.406   9.937  -0.626
  552    HA   PRO  66           HA       PRO  66  -4.056   5.785   0.014
  553   1HB   PRO  66          1HB       PRO  66  -4.603   5.728   2.725
  554   2HB   PRO  66          2HB       PRO  66  -2.987   5.753   2.008
  555   1HG   PRO  66          1HG       PRO  66  -4.548   8.121   3.047
  556   2HG   PRO  66          2HG       PRO  66  -2.820   7.704   3.291
  557   1HD   PRO  66          1HD       PRO  66  -3.458   9.499   1.467
  558   2HD   PRO  66          2HD       PRO  66  -2.226   8.247   1.098
  559    H    GLN  67           H        GLN  67  -6.339   7.998   1.707
  560    HA   GLN  67           HA       GLN  67  -8.460   6.110   1.683
  561   1HB   GLN  67          1HB       GLN  67  -8.122   8.241   3.067
  562   2HB   GLN  67          2HB       GLN  67  -8.790   9.139   1.700
  563   1HG   GLN  67          1HG       GLN  67 -10.915   7.993   1.902
  564   2HG   GLN  67          2HG       GLN  67 -10.230   6.786   3.000
  565   1HE2  GLN  67          2HE2      GLN  67 -11.903   9.945   4.705
  566   2HE2  GLN  67          1HE2      GLN  67 -12.261   9.388   3.088
  567    H    ALA  68           H        ALA  68  -7.320   8.357  -0.818
  568    HA   ALA  68           HA       ALA  68  -9.687   8.003  -2.496
  569   1HB   ALA  68          3HB       ALA  68  -8.378  10.107  -2.561
  570   2HB   ALA  68          1HB       ALA  68  -6.940   9.203  -3.103
  571   3HB   ALA  68          2HB       ALA  68  -8.381   9.291  -4.135
  572    H    ILE  69           H        ILE  69  -6.357   6.625  -2.236
  573    HA   ILE  69           HA       ILE  69  -6.393   5.041  -4.579
  574    HB   ILE  69           HB       ILE  69  -5.113   4.643  -1.843
  575   1HG1  ILE  69          1HG1      ILE  69  -3.781   5.225  -4.492
  576   2HG1  ILE  69          2HG1      ILE  69  -4.377   6.507  -3.513
  577   1HG2  ILE  69          1HG2      ILE  69  -4.984   2.860  -4.279
  578   2HG2  ILE  69          2HG2      ILE  69  -3.697   2.855  -3.061
  579   3HG2  ILE  69          3HG2      ILE  69  -5.337   2.412  -2.606
  580   1HD1  ILE  69          2HD1      ILE  69  -2.407   4.464  -2.413
  581   2HD1  ILE  69          3HD1      ILE  69  -1.926   5.967  -3.198
  582   3HD1  ILE  69          1HD1      ILE  69  -2.881   6.021  -1.715
  583    H    CYS  70           H        CYS  70  -7.566   4.234  -1.289
  584    HA   CYS  70           HA       CYS  70  -8.660   1.678  -1.888
  585   1HB   CYS  70          1HB       CYS  70  -9.554   3.743   0.165
  586   2HB   CYS  70          2HB       CYS  70  -9.926   2.012   0.196
  587    H    VAL  71           H        VAL  71 -10.177   4.957  -2.383
  588    HA   VAL  71           HA       VAL  71 -12.751   3.791  -3.106
  589    HB   VAL  71           HB       VAL  71 -11.465   6.482  -3.730
  590   1HG1  VAL  71          1HG1      VAL  71 -14.340   5.588  -4.234
  591   2HG1  VAL  71          2HG1      VAL  71 -13.745   7.254  -4.357
  592   3HG1  VAL  71          3HG1      VAL  71 -13.144   6.023  -5.470
  593   1HG2  VAL  71          2HG2      VAL  71 -12.078   6.038  -1.302
  594   2HG2  VAL  71          3HG2      VAL  71 -12.923   7.397  -2.047
  595   3HG2  VAL  71          1HG2      VAL  71 -13.766   5.859  -1.835
  596    H    ASP  72           H        ASP  72  -9.909   4.945  -5.013
  597    HA   ASP  72           HA       ASP  72 -10.845   4.457  -7.569
  598   1HB   ASP  72          1HB       ASP  72  -8.808   5.722  -6.785
  599   2HB   ASP  72          2HB       ASP  72  -7.963   4.190  -6.623
  600    H    ILE  73           H        ILE  73  -8.958   2.193  -5.529
  601    HA   ILE  73           HA       ILE  73  -9.232   0.108  -7.596
  602    HB   ILE  73           HB       ILE  73  -7.736  -1.211  -6.321
  603   1HG1  ILE  73          1HG1      ILE  73  -8.348   0.730  -4.067
  604   2HG1  ILE  73          2HG1      ILE  73  -8.393  -1.022  -4.099
  605   1HG2  ILE  73          3HG2      ILE  73  -6.955   0.762  -7.691
  606   2HG2  ILE  73          1HG2      ILE  73  -6.725   1.651  -6.188
  607   3HG2  ILE  73          2HG2      ILE  73  -5.803   0.163  -6.497
  608   1HD1  ILE  73          2HD1      ILE  73  -5.924  -1.068  -4.354
  609   2HD1  ILE  73          3HD1      ILE  73  -5.908   0.703  -4.193
  610   3HD1  ILE  73          1HD1      ILE  73  -6.469  -0.282  -2.834
  611    H    LYS  74           H        LYS  74 -11.284   1.173  -5.349
  612    HA   LYS  74           HA       LYS  74 -13.360   0.573  -4.800
  613   1HB   LYS  74          1HB       LYS  74 -13.359  -0.440  -7.106
  614   2HB   LYS  74          2HB       LYS  74 -12.997  -1.996  -6.350
  615   1HG   LYS  74          1HG       LYS  74 -15.126  -1.248  -4.831
  616   2HG   LYS  74          2HG       LYS  74 -15.478  -0.337  -6.312
  617   1HD   LYS  74          1HD       LYS  74 -15.397  -2.418  -7.629
  618   2HD   LYS  74          2HD       LYS  74 -14.886  -3.296  -6.175
  619   1HE   LYS  74          1HE       LYS  74 -17.168  -3.855  -6.537
  620   2HE   LYS  74          2HE       LYS  74 -17.056  -2.819  -5.098
  621   1HZ   LYS  74          1HZ       LYS  74 -17.837  -1.736  -7.737
  622   2HZ   LYS  74          2HZ       LYS  74 -18.897  -2.188  -6.529
  623   3HZ   LYS  74          3HZ       LYS  74 -17.852  -1.012  -6.279
  624    H    ILE  75           H        ILE  75 -12.105   0.501  -2.787
  625    HA   ILE  75           HA       ILE  75 -12.735  -1.989  -1.266
  626    HB   ILE  75           HB       ILE  75 -10.178  -0.323  -1.134
  627   1HG1  ILE  75          1HG1      ILE  75 -10.633  -3.218  -2.014
  628   2HG1  ILE  75          2HG1      ILE  75 -10.206  -1.865  -3.060
  629   1HG2  ILE  75          3HG2      ILE  75 -10.986  -2.735   0.530
  630   2HG2  ILE  75          1HG2      ILE  75  -9.381  -1.985   0.552
  631   3HG2  ILE  75          2HG2      ILE  75 -10.738  -1.059   1.120
  632   1HD1  ILE  75          3HD1      ILE  75  -8.099  -1.578  -1.644
  633   2HD1  ILE  75          1HD1      ILE  75  -8.472  -3.195  -0.994
  634   3HD1  ILE  75          2HD1      ILE  75  -8.187  -2.988  -2.729
  635    H    CYS  76           H        CYS  76 -12.796   1.506  -1.474
  636    HA   CYS  76           HA       CYS  76 -13.308   1.814   1.397
  637   1HB   CYS  76          1HB       CYS  76 -11.883   3.408  -0.021
  638   2HB   CYS  76          2HB       CYS  76 -13.393   3.955  -0.728
  639    H    LYS  77           H        LYS  77 -15.149   4.089   0.861
  640    HA   LYS  77           HA       LYS  77 -17.733   2.675   0.607
  641   1HB   LYS  77          1HB       LYS  77 -17.344   3.982   2.784
  642   2HB   LYS  77          2HB       LYS  77 -17.132   5.436   1.830
  643   1HG   LYS  77          1HG       LYS  77 -19.628   3.721   2.108
  644   2HG   LYS  77          2HG       LYS  77 -19.383   5.332   2.759
  645   1HD   LYS  77          1HD       LYS  77 -19.694   4.612  -0.176
  646   2HD   LYS  77          2HD       LYS  77 -20.938   5.287   0.840
  647   1HE   LYS  77          1HE       LYS  77 -20.038   7.423   0.885
  648   2HE   LYS  77          2HE       LYS  77 -18.384   6.859   0.574
  649   1HZ   LYS  77          3HZ       LYS  77 -20.078   6.269  -1.635
  650   2HZ   LYS  77          1HZ       LYS  77 -19.932   7.915  -1.369
  651   3HZ   LYS  77          2HZ       LYS  77 -18.679   6.881  -1.632
  652    H    GLU  78           H        GLU  78 -17.243   2.542  -1.596
  653    HA   GLU  78           HA       GLU  78 -16.402   4.434  -3.473
  654   1HB   GLU  78          1HB       GLU  78 -18.753   2.492  -3.638
  655   2HB   GLU  78          2HB       GLU  78 -17.949   3.250  -5.009
  656   1HG   GLU  78          1HG       GLU  78 -15.930   1.915  -4.640
  657   2HG   GLU  78          2HG       GLU  78 -16.563   1.288  -3.113
   
  No H/Q in entry =         657
  Start of MODEL   14
    1   1H    GLY   1          3H        GLY   1 -17.024   0.422   4.833
    2   2H    GLY   1          1H        GLY   1 -18.338  -0.459   4.561
    3   3H    GLY   1          2H        GLY   1 -17.874  -0.158   6.125
    4   1HA   GLY   1          1HA       GLY   1 -17.314  -2.425   5.518
    5   2HA   GLY   1          2HA       GLY   1 -16.440  -1.768   4.122
    6    H    TYR   2           H        TYR   2 -15.738  -3.233   6.916
    7    HA   TYR   2           HA       TYR   2 -13.847  -1.708   8.342
    8   1HB   TYR   2          1HB       TYR   2 -14.666  -3.871   9.083
    9   2HB   TYR   2          2HB       TYR   2 -14.025  -4.665   7.656
   10    HD1  TYR   2           HD1      TYR   2 -13.018  -2.920  10.821
   11    HD2  TYR   2           HD2      TYR   2 -11.805  -5.561   7.627
   12    HE1  TYR   2           HE1      TYR   2 -10.988  -3.505  12.083
   13    HE2  TYR   2           HE2      TYR   2  -9.758  -6.143   8.889
   14    HH   TYR   2           HH       TYR   2  -9.169  -4.989  12.200
   15    H    PHE   3           H        PHE   3 -13.643  -3.207   5.178
   16    HA   PHE   3           HA       PHE   3 -10.946  -3.269   4.652
   17   1HB   PHE   3          1HB       PHE   3 -13.415  -2.762   3.042
   18   2HB   PHE   3          2HB       PHE   3 -11.882  -2.625   2.272
   19    HD1  PHE   3           HD2      PHE   3 -10.189  -4.600   2.643
   20    HD2  PHE   3           HD1      PHE   3 -14.486  -4.887   2.790
   21    HE1  PHE   3           HE2      PHE   3 -10.053  -6.971   1.929
   22    HE2  PHE   3           HE1      PHE   3 -14.340  -7.278   2.165
   23    HZ   PHE   3           HZ       PHE   3 -12.132  -8.323   1.722
   24    H    CYS   4           H        CYS   4 -13.022  -0.261   4.590
   25    HA   CYS   4           HA       CYS   4 -11.090   1.166   3.135
   26   1HB   CYS   4          1HB       CYS   4 -13.353   2.208   3.552
   27   2HB   CYS   4          2HB       CYS   4 -12.983   2.298   5.260
   28    H    GLU   5           H        GLU   5 -11.530   1.279   6.719
   29    HA   GLU   5           HA       GLU   5  -9.298   2.900   7.324
   30   1HB   GLU   5          1HB       GLU   5 -11.022   2.447   8.971
   31   2HB   GLU   5          2HB       GLU   5 -10.782   0.710   8.860
   32   1HG   GLU   5          1HG       GLU   5  -9.883   1.597  10.954
   33   2HG   GLU   5          2HG       GLU   5  -8.634   0.838   9.983
   34    H    SER   6           H        SER   6  -9.588  -0.681   7.115
   35    HA   SER   6           HA       SER   6  -6.953  -1.378   7.749
   36   1HB   SER   6          1HB       SER   6  -8.810  -2.727   5.742
   37   2HB   SER   6          2HB       SER   6  -7.429  -3.449   6.592
   38    HG   SER   6           HG       SER   6  -9.954  -2.680   7.616
   39    H    CYS   7           H        CYS   7  -8.301  -0.752   4.450
   40    HA   CYS   7           HA       CYS   7  -5.863  -1.078   3.022
   41   1HB   CYS   7          1HB       CYS   7  -8.067  -1.153   2.033
   42   2HB   CYS   7          2HB       CYS   7  -8.377   0.529   2.411
   43    H    ARG   8           H        ARG   8  -7.512   1.810   4.277
   44    HA   ARG   8           HA       ARG   8  -5.781   3.820   3.365
   45   1HB   ARG   8          1HB       ARG   8  -8.039   4.100   4.431
   46   2HB   ARG   8          2HB       ARG   8  -7.352   3.595   5.971
   47   1HG   ARG   8          1HG       ARG   8  -5.775   5.678   5.695
   48   2HG   ARG   8          2HG       ARG   8  -6.937   6.166   4.444
   49   1HD   ARG   8          1HD       ARG   8  -7.828   7.152   6.419
   50   2HD   ARG   8          2HD       ARG   8  -8.775   5.706   6.209
   51    HE   ARG   8           HE       ARG   8  -8.026   4.956   8.202
   52   1HH1  ARG   8          2HH2      ARG   8  -5.610   7.447   7.282
   53   2HH1  ARG   8          1HH2      ARG   8  -4.874   7.444   8.814
   54   1HH2  ARG   8          2HH1      ARG   8  -7.117   4.906  10.078
   55   2HH2  ARG   8          1HH1      ARG   8  -5.849   6.000  10.579
   56    H    LYS   9           H        LYS   9  -5.697   1.944   6.448
   57    HA   LYS   9           HA       LYS   9  -3.278   3.055   7.409
   58   1HB   LYS   9          1HB       LYS   9  -5.079   1.758   8.626
   59   2HB   LYS   9          2HB       LYS   9  -4.404   0.273   7.967
   60   1HG   LYS   9          1HG       LYS   9  -2.348   0.557   9.156
   61   2HG   LYS   9          2HG       LYS   9  -2.713   2.238   9.572
   62   1HD   LYS   9          1HD       LYS   9  -4.392  -0.114  10.539
   63   2HD   LYS   9          2HD       LYS   9  -3.027   0.543  11.466
   64   1HE   LYS   9          1HE       LYS   9  -4.077   2.684  11.744
   65   2HE   LYS   9          2HE       LYS   9  -5.241   2.361  10.467
   66   1HZ   LYS   9          1HZ       LYS   9  -6.119   0.568  11.982
   67   2HZ   LYS   9          2HZ       LYS   9  -5.373   1.418  13.211
   68   3HZ   LYS   9          3HZ       LYS   9  -6.485   2.124  12.191
   69    H    ILE  10           H        ILE  10  -3.863   0.134   5.377
   70    HA   ILE  10           HA       ILE  10  -1.183  -0.763   5.263
   71    HB   ILE  10           HB       ILE  10  -3.509  -1.152   3.384
   72   1HG1  ILE  10          1HG1      ILE  10  -2.080  -3.138   5.202
   73   2HG1  ILE  10          2HG1      ILE  10  -3.366  -2.139   5.825
   74   1HG2  ILE  10          2HG2      ILE  10  -0.735  -2.414   3.302
   75   2HG2  ILE  10          3HG2      ILE  10  -2.132  -3.044   2.411
   76   3HG2  ILE  10          1HG2      ILE  10  -1.497  -1.450   2.023
   77   1HD1  ILE  10          1HD1      ILE  10  -3.724  -4.036   3.473
   78   2HD1  ILE  10          2HD1      ILE  10  -4.162  -4.388   5.136
   79   3HD1  ILE  10          3HD1      ILE  10  -4.984  -3.077   4.271
   80    H    ILE  11           H        ILE  11  -2.881   1.468   2.987
   81    HA   ILE  11           HA       ILE  11  -0.542   2.066   1.453
   82    HB   ILE  11           HB       ILE  11  -3.119   3.596   1.966
   83   1HG1  ILE  11          1HG1      ILE  11  -3.532   1.597   0.665
   84   2HG1  ILE  11          2HG1      ILE  11  -3.676   3.012  -0.360
   85   1HG2  ILE  11          3HG2      ILE  11  -0.915   4.345   0.006
   86   2HG2  ILE  11          1HG2      ILE  11  -2.552   5.033   0.058
   87   3HG2  ILE  11          2HG2      ILE  11  -1.454   5.288   1.400
   88   1HD1  ILE  11          1HD1      ILE  11  -1.439   2.523  -1.338
   89   2HD1  ILE  11          2HD1      ILE  11  -1.340   1.058  -0.327
   90   3HD1  ILE  11          3HD1      ILE  11  -2.605   1.214  -1.553
   91    H    GLN  12           H        GLN  12  -2.011   3.866   4.226
   92    HA   GLN  12           HA       GLN  12  -0.139   5.944   4.282
   93   1HB   GLN  12          1HB       GLN  12  -1.764   4.624   6.490
   94   2HB   GLN  12          2HB       GLN  12  -0.780   6.054   6.775
   95   1HG   GLN  12          1HG       GLN  12  -2.547   6.329   4.406
   96   2HG   GLN  12          2HG       GLN  12  -3.415   6.048   5.916
   97   1HE2  GLN  12          2HE2      GLN  12  -1.116   9.481   5.635
   98   2HE2  GLN  12          1HE2      GLN  12  -0.798   8.204   4.499
   99    H    LYS  13           H        LYS  13   0.116   2.686   5.791
  100    HA   LYS  13           HA       LYS  13   2.529   3.456   7.143
  101   1HB   LYS  13          1HB       LYS  13   0.865   1.578   7.776
  102   2HB   LYS  13          2HB       LYS  13   1.669   0.617   6.554
  103   1HG   LYS  13          1HG       LYS  13   2.692   0.023   8.606
  104   2HG   LYS  13          2HG       LYS  13   3.871   1.064   7.845
  105   1HD   LYS  13          1HD       LYS  13   1.837   2.338   9.699
  106   2HD   LYS  13          2HD       LYS  13   3.082   1.313  10.430
  107   1HE   LYS  13          1HE       LYS  13   4.867   2.642   9.582
  108   2HE   LYS  13          2HE       LYS  13   3.846   3.485   8.464
  109   1HZ   LYS  13          2HZ       LYS  13   3.780   3.871  11.400
  110   2HZ   LYS  13          3HZ       LYS  13   4.434   4.848  10.262
  111   3HZ   LYS  13          1HZ       LYS  13   2.838   4.675  10.279
  112    H    LEU  14           H        LEU  14   1.861   2.315   3.865
  113    HA   LEU  14           HA       LEU  14   4.617   1.555   3.266
  114   1HB   LEU  14          1HB       LEU  14   2.517   0.845   1.926
  115   2HB   LEU  14          2HB       LEU  14   2.416   2.483   1.338
  116    HG   LEU  14           HG       LEU  14   3.359   1.065  -0.315
  117   1HD1  LEU  14          3HD1      LEU  14   4.346   3.431  -0.093
  118   2HD1  LEU  14          1HD1      LEU  14   5.793   2.626   0.556
  119   3HD1  LEU  14          2HD1      LEU  14   5.240   2.250  -1.061
  120   1HD2  LEU  14          3HD2      LEU  14   4.282  -0.655   1.146
  121   2HD2  LEU  14          1HD2      LEU  14   5.448  -0.141  -0.082
  122   3HD2  LEU  14          2HD2      LEU  14   5.634   0.412   1.594
  123    H    GLU  15           H        GLU  15   2.491   4.343   2.736
  124    HA   GLU  15           HA       GLU  15   4.224   6.105   1.473
  125   1HB   GLU  15          1HB       GLU  15   1.673   6.031   1.860
  126   2HB   GLU  15          2HB       GLU  15   1.957   6.634   3.484
  127   1HG   GLU  15          1HG       GLU  15   2.669   8.790   2.544
  128   2HG   GLU  15          2HG       GLU  15   2.514   8.121   0.906
  129    H    ASP  16           H        ASP  16   3.576   5.823   4.988
  130    HA   ASP  16           HA       ASP  16   5.632   7.437   6.004
  131   1HB   ASP  16          1HB       ASP  16   3.982   6.470   7.484
  132   2HB   ASP  16          2HB       ASP  16   4.237   4.861   6.857
  133    H    MET  17           H        MET  17   6.024   4.219   4.594
  134    HA   MET  17           HA       MET  17   8.692   3.926   5.826
  135   1HB   MET  17          1HB       MET  17   7.034   2.156   3.976
  136   2HB   MET  17          2HB       MET  17   8.724   1.810   4.379
  137   1HG   MET  17          1HG       MET  17   8.260   1.683   6.700
  138   2HG   MET  17          2HG       MET  17   6.634   2.322   6.503
  139   1HE   MET  17          1HE       MET  17   8.774  -0.562   7.023
  140   2HE   MET  17          2HE       MET  17   8.007  -1.970   6.253
  141   3HE   MET  17          3HE       MET  17   8.876  -0.759   5.259
  142    H    VAL  18           H        VAL  18   7.351   4.204   2.445
  143    HA   VAL  18           HA       VAL  18  10.092   4.280   1.488
  144    HB   VAL  18           HB       VAL  18   8.134   3.280   0.253
  145   1HG1  VAL  18          3HG1      VAL  18   6.581   5.206   0.320
  146   2HG1  VAL  18          1HG1      VAL  18   7.686   6.092  -0.756
  147   3HG1  VAL  18          2HG1      VAL  18   6.912   4.602  -1.323
  148   1HG2  VAL  18          3HG2      VAL  18  10.383   3.412  -0.565
  149   2HG2  VAL  18          1HG2      VAL  18   9.228   3.672  -1.876
  150   3HG2  VAL  18          2HG2      VAL  18  10.125   5.052  -1.155
  151    H    GLY  19           H        GLY  19   7.581   6.675   2.299
  152   1HA   GLY  19          1HA       GLY  19   7.846   8.848   2.794
  153   2HA   GLY  19          2HA       GLY  19   9.582   8.749   2.477
  154    HA   PRO  20           HA       PRO  20   7.784  11.135  -1.033
  155   1HB   PRO  20          1HB       PRO  20  10.029  12.426  -1.904
  156   2HB   PRO  20          2HB       PRO  20   9.252  12.818  -0.343
  157   1HG   PRO  20          1HG       PRO  20  11.600  10.952  -0.838
  158   2HG   PRO  20          2HG       PRO  20  11.500  12.310   0.332
  159   1HD   PRO  20          1HD       PRO  20  10.987   9.719   1.031
  160   2HD   PRO  20          2HD       PRO  20  10.082  11.091   1.763
  161    H    GLN  21           H        GLN  21   8.556  11.538  -3.280
  162    HA   GLN  21           HA       GLN  21   8.014   9.962  -5.195
  163   1HB   GLN  21          1HB       GLN  21  10.598  11.551  -5.301
  164   2HB   GLN  21          2HB       GLN  21   9.745  10.879  -6.687
  165   1HG   GLN  21          1HG       GLN  21   9.066  13.100  -6.675
  166   2HG   GLN  21          2HG       GLN  21   7.701  12.251  -5.958
  167   1HE2  GLN  21          2HE2      GLN  21   9.849  14.948  -3.723
  168   2HE2  GLN  21          1HE2      GLN  21  10.458  14.448  -5.291
  169    HA   PRO  22           HA       PRO  22  10.854   6.466  -4.497
  170   1HB   PRO  22          1HB       PRO  22   9.142   4.488  -4.040
  171   2HB   PRO  22          2HB       PRO  22   9.218   5.899  -2.936
  172   1HG   PRO  22          1HG       PRO  22   7.250   5.473  -5.197
  173   2HG   PRO  22          2HG       PRO  22   6.927   5.831  -3.458
  174   1HD   PRO  22          1HD       PRO  22   7.134   7.795  -5.417
  175   2HD   PRO  22          2HD       PRO  22   7.505   8.055  -3.686
  176    H    ASN  23           H        ASN  23  10.491   3.998  -5.548
  177    HA   ASN  23           HA       ASN  23   9.710   4.169  -8.389
  178   1HB   ASN  23          1HB       ASN  23  11.733   2.972  -9.037
  179   2HB   ASN  23          2HB       ASN  23  12.174   4.483  -8.241
  180   1HD2  ASN  23          2HD2      ASN  23  13.636   1.084  -6.684
  181   2HD2  ASN  23          1HD2      ASN  23  13.004   1.157  -8.314
  182    H    GLU  24           H        GLU  24   8.939   2.256  -9.161
  183    HA   GLU  24           HA       GLU  24   7.232   0.767  -7.751
  184   1HB   GLU  24          1HB       GLU  24   7.178   0.947 -10.092
  185   2HB   GLU  24          2HB       GLU  24   8.735   0.171 -10.304
  186   1HG   GLU  24          1HG       GLU  24   7.870  -1.987  -9.915
  187   2HG   GLU  24          2HG       GLU  24   6.493  -1.382  -8.987
  188    H    ASP  25           H        ASP  25  10.659  -0.324  -8.206
  189    HA   ASP  25           HA       ASP  25  10.124  -2.911  -7.045
  190   1HB   ASP  25          1HB       ASP  25  12.139  -2.629  -8.373
  191   2HB   ASP  25          2HB       ASP  25  12.770  -1.432  -7.221
  192    H    THR  26           H        THR  26  11.682   0.064  -5.661
  193    HA   THR  26           HA       THR  26  11.911  -0.859  -3.075
  194    HB   THR  26           HB       THR  26  11.268   2.000  -3.907
  195    HG1  THR  26           HG1      THR  26  13.191   2.104  -4.718
  196   1HG2  THR  26          2HG2      THR  26  11.437   1.576  -1.432
  197   2HG2  THR  26          3HG2      THR  26  13.060   0.906  -1.683
  198   3HG2  THR  26          1HG2      THR  26  12.738   2.618  -2.041
  199    H    VAL  27           H        VAL  27   9.060   0.563  -4.676
  200    HA   VAL  27           HA       VAL  27   7.411   0.627  -2.307
  201    HB   VAL  27           HB       VAL  27   6.660   0.455  -5.261
  202   1HG1  VAL  27          1HG1      VAL  27   4.902   0.924  -2.820
  203   2HG1  VAL  27          2HG1      VAL  27   4.424   1.357  -4.469
  204   3HG1  VAL  27          3HG1      VAL  27   4.732  -0.335  -4.053
  205   1HG2  VAL  27          2HG2      VAL  27   6.767   2.790  -3.300
  206   2HG2  VAL  27          3HG2      VAL  27   7.867   2.520  -4.656
  207   3HG2  VAL  27          1HG2      VAL  27   6.175   2.873  -4.982
  208    H    THR  28           H        THR  28   8.038  -1.946  -4.740
  209    HA   THR  28           HA       THR  28   6.138  -3.819  -3.732
  210    HB   THR  28           HB       THR  28   8.712  -4.234  -5.327
  211    HG1  THR  28           HG1      THR  28   7.385  -2.925  -6.464
  212   1HG2  THR  28          2HG2      THR  28   6.301  -6.048  -4.947
  213   2HG2  THR  28          3HG2      THR  28   7.602  -6.277  -6.145
  214   3HG2  THR  28          1HG2      THR  28   7.972  -6.357  -4.420
  215    H    GLN  29           H        GLN  29   9.721  -3.503  -3.137
  216    HA   GLN  29           HA       GLN  29   9.648  -5.664  -1.228
  217   1HB   GLN  29          1HB       GLN  29  11.930  -4.939  -0.599
  218   2HB   GLN  29          2HB       GLN  29  11.708  -5.328  -2.303
  219   1HG   GLN  29          1HG       GLN  29  11.856  -3.070  -2.967
  220   2HG   GLN  29          2HG       GLN  29  11.733  -2.471  -1.300
  221   1HE2  GLN  29          2HE2      GLN  29  15.367  -3.372  -2.795
  222   2HE2  GLN  29          1HE2      GLN  29  13.955  -3.291  -3.829
  223    H    ALA  30           H        ALA  30   9.544  -2.072  -0.801
  224    HA   ALA  30           HA       ALA  30   9.480  -2.066   2.009
  225   1HB   ALA  30          2HB       ALA  30   9.658   0.017   0.709
  226   2HB   ALA  30          3HB       ALA  30   8.001  -0.203   0.096
  227   3HB   ALA  30          1HB       ALA  30   8.283   0.084   1.823
  228    H    ALA  31           H        ALA  31   6.772  -2.474  -0.351
  229    HA   ALA  31           HA       ALA  31   4.721  -2.724   1.545
  230   1HB   ALA  31          3HB       ALA  31   4.240  -2.409  -0.841
  231   2HB   ALA  31          1HB       ALA  31   4.913  -4.007  -1.226
  232   3HB   ALA  31          2HB       ALA  31   3.443  -3.874  -0.245
  233    H    SER  32           H        SER  32   6.800  -5.384   0.168
  234    HA   SER  32           HA       SER  32   5.433  -7.468   1.570
  235   1HB   SER  32          1HB       SER  32   7.394  -8.793   1.240
  236   2HB   SER  32          2HB       SER  32   7.359  -7.691  -0.144
  237    HG   SER  32           HG       SER  32   8.921  -6.379   0.999
  238    H    GLN  33           H        GLN  33   7.678  -5.085   2.854
  239    HA   GLN  33           HA       GLN  33   7.354  -6.251   5.543
  240   1HB   GLN  33          1HB       GLN  33   9.058  -3.895   4.682
  241   2HB   GLN  33          2HB       GLN  33   9.060  -4.720   6.247
  242   1HG   GLN  33          1HG       GLN  33  10.061  -5.741   3.578
  243   2HG   GLN  33          2HG       GLN  33  10.937  -5.595   5.097
  244   1HE2  GLN  33          2HE2      GLN  33   9.447  -9.146   4.260
  245   2HE2  GLN  33          1HE2      GLN  33   9.649  -7.880   3.043
  246    H    VAL  34           H        VAL  34   5.914  -3.580   3.688
  247    HA   VAL  34           HA       VAL  34   4.980  -2.113   5.906
  248    HB   VAL  34           HB       VAL  34   4.674  -1.561   3.401
  249   1HG1  VAL  34          2HG1      VAL  34   3.016  -3.537   2.790
  250   2HG1  VAL  34          3HG1      VAL  34   1.852  -2.608   3.686
  251   3HG1  VAL  34          1HG1      VAL  34   2.631  -1.903   2.272
  252   1HG2  VAL  34          2HG2      VAL  34   2.516  -1.089   5.425
  253   2HG2  VAL  34          3HG2      VAL  34   3.996  -0.118   5.104
  254   3HG2  VAL  34          1HG2      VAL  34   2.691  -0.209   3.896
  255    H    CYS  35           H        CYS  35   3.826  -4.995   4.293
  256    HA   CYS  35           HA       CYS  35   1.551  -5.463   5.979
  257   1HB   CYS  35          1HB       CYS  35   3.265  -7.483   4.484
  258   2HB   CYS  35          2HB       CYS  35   1.611  -7.701   5.074
  259    H    ASP  36           H        ASP  36   5.017  -6.725   6.080
  260    HA   ASP  36           HA       ASP  36   4.466  -8.123   8.520
  261   1HB   ASP  36          1HB       ASP  36   6.622  -8.402   7.240
  262   2HB   ASP  36          2HB       ASP  36   7.192  -6.932   8.076
  263    H    LYS  37           H        LYS  37   5.268  -4.700   8.079
  264    HA   LYS  37           HA       LYS  37   5.720  -4.116  10.819
  265   1HB   LYS  37          1HB       LYS  37   6.470  -2.844   8.765
  266   2HB   LYS  37          2HB       LYS  37   4.826  -2.259   8.546
  267   1HG   LYS  37          1HG       LYS  37   5.016  -0.943  10.632
  268   2HG   LYS  37          2HG       LYS  37   6.623  -1.640  10.936
  269   1HD   LYS  37          1HD       LYS  37   7.420  -0.679   8.769
  270   2HD   LYS  37          2HD       LYS  37   5.837   0.088   8.549
  271   1HE   LYS  37          1HE       LYS  37   6.244   1.388  10.617
  272   2HE   LYS  37          2HE       LYS  37   7.855   0.681  10.751
  273   1HZ   LYS  37          1HZ       LYS  37   8.306   1.792   8.540
  274   2HZ   LYS  37          2HZ       LYS  37   6.896   2.628   8.683
  275   3HZ   LYS  37          3HZ       LYS  37   8.037   2.840   9.760
  276    H    LEU  38           H        LEU  38   2.779  -3.888   8.724
  277    HA   LEU  38           HA       LEU  38   1.125  -3.193  11.096
  278   1HB   LEU  38          1HB       LEU  38   0.361  -3.916   8.231
  279   2HB   LEU  38          2HB       LEU  38  -0.777  -3.482   9.509
  280    HG   LEU  38           HG       LEU  38   1.355  -1.675   8.318
  281   1HD1  LEU  38          1HD1      LEU  38  -0.539  -2.164   6.848
  282   2HD1  LEU  38          2HD1      LEU  38  -1.681  -1.624   8.103
  283   3HD1  LEU  38          3HD1      LEU  38  -0.536  -0.474   7.374
  284   1HD2  LEU  38          3HD2      LEU  38  -0.735  -1.105  10.473
  285   2HD2  LEU  38          1HD2      LEU  38   1.034  -0.994  10.640
  286   3HD2  LEU  38          2HD2      LEU  38   0.175   0.149   9.605
  287    H    LYS  39           H        LYS  39   2.030  -5.093  12.281
  288    HA   LYS  39           HA       LYS  39   1.141  -7.649  11.223
  289   1HB   LYS  39          1HB       LYS  39   2.057  -8.714  13.273
  290   2HB   LYS  39          2HB       LYS  39   3.098  -7.980  12.092
  291   1HG   LYS  39          1HG       LYS  39   3.153  -5.924  13.758
  292   2HG   LYS  39          2HG       LYS  39   2.513  -7.080  14.929
  293   1HD   LYS  39          1HD       LYS  39   4.966  -6.928  15.097
  294   2HD   LYS  39          2HD       LYS  39   4.517  -8.545  14.522
  295   1HE   LYS  39          1HE       LYS  39   4.998  -7.848  12.190
  296   2HE   LYS  39          2HE       LYS  39   5.395  -6.226  12.715
  297   1HZ   LYS  39          2HZ       LYS  39   6.919  -8.654  13.455
  298   2HZ   LYS  39          3HZ       LYS  39   7.202  -7.741  12.140
  299   3HZ   LYS  39          1HZ       LYS  39   7.401  -7.073  13.641
  300    H    ILE  40           H        ILE  40  -0.180  -9.165  12.648
  301    HA   ILE  40           HA       ILE  40  -2.214  -9.757  13.433
  302    HB   ILE  40           HB       ILE  40  -2.691  -6.832  14.202
  303   1HG1  ILE  40          1HG1      ILE  40  -2.214  -9.322  15.903
  304   2HG1  ILE  40          2HG1      ILE  40  -0.962  -8.144  15.503
  305   1HG2  ILE  40          3HG2      ILE  40  -4.495  -9.234  14.652
  306   2HG2  ILE  40          1HG2      ILE  40  -4.732  -7.598  15.302
  307   3HG2  ILE  40          2HG2      ILE  40  -4.823  -7.860  13.577
  308   1HD1  ILE  40          1HD1      ILE  40  -2.300  -6.355  16.630
  309   2HD1  ILE  40          2HD1      ILE  40  -3.444  -7.610  17.173
  310   3HD1  ILE  40          3HD1      ILE  40  -1.760  -7.657  17.709
  311    H    LEU  41           H        LEU  41  -2.356  -6.597  11.751
  312    HA   LEU  41           HA       LEU  41  -4.407  -7.486   9.887
  313   1HB   LEU  41          1HB       LEU  41  -4.065  -5.233  11.048
  314   2HB   LEU  41          2HB       LEU  41  -2.738  -4.926   9.959
  315    HG   LEU  41           HG       LEU  41  -5.183  -3.962   9.670
  316   1HD1  LEU  41          1HD1      LEU  41  -3.324  -3.380   8.243
  317   2HD1  LEU  41          2HD1      LEU  41  -3.569  -4.839   7.273
  318   3HD1  LEU  41          3HD1      LEU  41  -4.818  -3.571   7.318
  319   1HD2  LEU  41          2HD2      LEU  41  -6.370  -6.101   9.543
  320   2HD2  LEU  41          3HD2      LEU  41  -6.605  -5.127   8.093
  321   3HD2  LEU  41          1HD2      LEU  41  -5.488  -6.510   8.053
  322    H    ARG  42           H        ARG  42  -1.470  -8.434  10.076
  323    HA   ARG  42           HA       ARG  42   0.145  -7.914   7.896
  324   1HB   ARG  42          1HB       ARG  42   0.439  -9.309  10.110
  325   2HB   ARG  42          2HB       ARG  42  -0.171 -10.664   9.197
  326   1HG   ARG  42          1HG       ARG  42   1.832 -10.368   7.629
  327   2HG   ARG  42          2HG       ARG  42   2.420  -9.134   8.771
  328   1HD   ARG  42          1HD       ARG  42   2.165 -10.891  10.620
  329   2HD   ARG  42          2HD       ARG  42   1.878 -12.078   9.341
  330    HE   ARG  42           HE       ARG  42   4.432 -10.486   9.386
  331   1HH1  ARG  42          2HH2      ARG  42   2.948 -13.682  10.020
  332   2HH1  ARG  42          1HH2      ARG  42   4.485 -14.443  10.193
  333   1HH2  ARG  42          2HH1      ARG  42   6.296 -11.443   9.615
  334   2HH2  ARG  42          1HH1      ARG  42   6.511 -13.142   9.939
  335    H    GLY  43           H        GLY  43  -2.436 -10.316   8.246
  336   1HA   GLY  43          1HA       GLY  43  -2.116 -11.772   5.837
  337   2HA   GLY  43          2HA       GLY  43  -3.583 -11.671   6.819
  338    H    LEU  44           H        LEU  44  -4.293  -8.917   6.580
  339    HA   LEU  44           HA       LEU  44  -5.653  -9.153   4.090
  340   1HB   LEU  44          1HB       LEU  44  -6.399  -7.892   6.258
  341   2HB   LEU  44          2HB       LEU  44  -5.397  -6.568   5.653
  342    HG   LEU  44           HG       LEU  44  -6.759  -6.864   3.417
  343   1HD1  LEU  44          3HD1      LEU  44  -8.619  -8.254   5.408
  344   2HD1  LEU  44          1HD1      LEU  44  -9.071  -7.727   3.788
  345   3HD1  LEU  44          2HD1      LEU  44  -7.870  -9.004   3.981
  346   1HD2  LEU  44          1HD2      LEU  44  -8.115  -5.775   5.916
  347   2HD2  LEU  44          2HD2      LEU  44  -6.982  -4.900   4.850
  348   3HD2  LEU  44          3HD2      LEU  44  -8.564  -5.402   4.241
  349    H    CYS  45           H        CYS  45  -3.000  -6.979   5.207
  350    HA   CYS  45           HA       CYS  45  -2.442  -5.690   2.837
  351   1HB   CYS  45          1HB       CYS  45  -1.478  -5.227   5.050
  352   2HB   CYS  45          2HB       CYS  45  -0.534  -6.707   4.975
  353    H    LYS  46           H        LYS  46  -0.887  -8.829   3.890
  354    HA   LYS  46           HA       LYS  46   0.492  -9.067   1.408
  355   1HB   LYS  46          1HB       LYS  46  -0.110 -11.048   3.591
  356   2HB   LYS  46          2HB       LYS  46   0.579 -11.605   2.056
  357   1HG   LYS  46          1HG       LYS  46   2.495 -10.188   2.247
  358   2HG   LYS  46          2HG       LYS  46   1.807  -9.300   3.601
  359   1HD   LYS  46          1HD       LYS  46   2.221 -11.001   5.150
  360   2HD   LYS  46          2HD       LYS  46   2.320 -12.235   3.899
  361   1HE   LYS  46          1HE       LYS  46   4.527 -11.980   4.672
  362   2HE   LYS  46          2HE       LYS  46   4.474 -11.241   3.077
  363   1HZ   LYS  46          3HZ       LYS  46   4.421  -9.708   5.627
  364   2HZ   LYS  46          1HZ       LYS  46   5.745  -9.959   4.714
  365   3HZ   LYS  46          2HZ       LYS  46   4.572  -9.070   4.106
  366    H    LYS  47           H        LYS  47  -2.832 -10.187   2.201
  367    HA   LYS  47           HA       LYS  47  -3.231 -11.493  -0.333
  368   1HB   LYS  47          1HB       LYS  47  -4.796 -11.897   1.406
  369   2HB   LYS  47          2HB       LYS  47  -5.227 -10.187   1.501
  370   1HG   LYS  47          1HG       LYS  47  -6.867 -11.524   0.300
  371   2HG   LYS  47          2HG       LYS  47  -6.238 -10.223  -0.697
  372   1HD   LYS  47          1HD       LYS  47  -4.752 -12.041  -1.797
  373   2HD   LYS  47          2HD       LYS  47  -5.728 -13.225  -0.936
  374   1HE   LYS  47          1HE       LYS  47  -6.772 -11.102  -2.891
  375   2HE   LYS  47          2HE       LYS  47  -6.399 -12.764  -3.332
  376   1HZ   LYS  47          2HZ       LYS  47  -8.495 -11.965  -1.409
  377   2HZ   LYS  47          3HZ       LYS  47  -8.734 -12.459  -2.953
  378   3HZ   LYS  47          1HZ       LYS  47  -8.141 -13.515  -1.851
  379    H    ILE  48           H        ILE  48  -3.938  -8.079   0.663
  380    HA   ILE  48           HA       ILE  48  -4.920  -7.247  -1.851
  381    HB   ILE  48           HB       ILE  48  -3.644  -5.774   0.476
  382   1HG1  ILE  48          1HG1      ILE  48  -6.501  -5.736  -0.616
  383   2HG1  ILE  48          2HG1      ILE  48  -5.967  -6.877   0.609
  384   1HG2  ILE  48          2HG2      ILE  48  -4.855  -4.483  -2.014
  385   2HG2  ILE  48          3HG2      ILE  48  -4.372  -3.628  -0.536
  386   3HG2  ILE  48          1HG2      ILE  48  -3.150  -4.401  -1.527
  387   1HD1  ILE  48          3HD1      ILE  48  -5.399  -5.018   2.137
  388   2HD1  ILE  48          1HD1      ILE  48  -6.023  -3.852   0.943
  389   3HD1  ILE  48          2HD1      ILE  48  -7.111  -5.037   1.675
  390    H    MET  49           H        MET  49  -1.546  -7.179  -0.587
  391    HA   MET  49           HA       MET  49  -0.392  -6.026  -2.905
  392   1HB   MET  49          1HB       MET  49   0.835  -7.928  -0.861
  393   2HB   MET  49          2HB       MET  49   1.738  -7.028  -2.082
  394   1HG   MET  49          1HG       MET  49   0.127  -5.867   0.206
  395   2HG   MET  49          2HG       MET  49   1.870  -5.827   0.007
  396   1HE   MET  49          2HE       MET  49   1.203  -3.240   0.827
  397   2HE   MET  49          3HE       MET  49   0.287  -2.119  -0.202
  398   3HE   MET  49          1HE       MET  49  -0.537  -3.497   0.553
  399    H    ARG  50           H        ARG  50  -0.853  -9.601  -2.203
  400    HA   ARG  50           HA       ARG  50   0.323 -10.309  -4.745
  401   1HB   ARG  50          1HB       ARG  50  -0.022 -11.984  -3.022
  402   2HB   ARG  50          2HB       ARG  50  -1.745 -11.721  -3.002
  403   1HG   ARG  50          1HG       ARG  50  -1.125 -13.830  -4.171
  404   2HG   ARG  50          2HG       ARG  50  -2.088 -12.721  -5.118
  405   1HD   ARG  50          1HD       ARG  50  -0.613 -13.520  -6.669
  406   2HD   ARG  50          2HD       ARG  50   0.125 -11.978  -6.257
  407    HE   ARG  50           HE       ARG  50   1.261 -13.968  -4.598
  408   1HH1  ARG  50          2HH2      ARG  50   1.158 -13.082  -8.033
  409   2HH1  ARG  50          1HH2      ARG  50   2.622 -13.880  -8.460
  410   1HH2  ARG  50          2HH1      ARG  50   3.267 -15.071  -5.161
  411   2HH2  ARG  50          1HH1      ARG  50   3.849 -15.012  -6.773
  412    H    SER  51           H        SER  51  -2.943  -9.687  -3.748
  413    HA   SER  51           HA       SER  51  -4.288 -10.341  -6.141
  414   1HB   SER  51          1HB       SER  51  -5.170  -9.932  -3.756
  415   2HB   SER  51          2HB       SER  51  -5.220  -8.214  -4.171
  416    HG   SER  51           HG       SER  51  -6.672  -8.795  -5.854
  417    H    PHE  52           H        PHE  52  -2.933  -7.122  -5.155
  418    HA   PHE  52           HA       PHE  52  -3.355  -6.169  -7.943
  419   1HB   PHE  52          1HB       PHE  52  -4.079  -4.535  -5.489
  420   2HB   PHE  52          2HB       PHE  52  -4.447  -4.192  -7.171
  421    HD1  PHE  52           HD1      PHE  52  -5.993  -6.119  -8.351
  422    HD2  PHE  52           HD2      PHE  52  -5.841  -5.166  -4.144
  423    HE1  PHE  52           HE1      PHE  52  -8.302  -6.968  -8.070
  424    HE2  PHE  52           HE2      PHE  52  -8.160  -6.004  -3.875
  425    HZ   PHE  52           HZ       PHE  52  -9.397  -6.895  -5.839
  426    H    LEU  53           H        LEU  53  -0.795  -6.950  -6.994
  427    HA   LEU  53           HA       LEU  53   0.601  -5.110  -5.533
  428   1HB   LEU  53          1HB       LEU  53   1.335  -7.424  -6.570
  429   2HB   LEU  53          2HB       LEU  53   1.876  -6.490  -7.924
  430    HG   LEU  53           HG       LEU  53   3.764  -6.869  -6.567
  431   1HD1  LEU  53          1HD1      LEU  53   3.641  -4.466  -7.296
  432   2HD1  LEU  53          2HD1      LEU  53   2.988  -4.061  -5.679
  433   3HD1  LEU  53          3HD1      LEU  53   4.596  -4.740  -5.845
  434   1HD2  LEU  53          1HD2      LEU  53   2.591  -7.562  -4.528
  435   2HD2  LEU  53          2HD2      LEU  53   3.900  -6.422  -4.168
  436   3HD2  LEU  53          3HD2      LEU  53   2.216  -5.861  -4.151
  437    H    ARG  54           H        ARG  54   0.671  -5.137  -9.159
  438    HA   ARG  54           HA       ARG  54   2.095  -2.706  -9.197
  439   1HB   ARG  54          1HB       ARG  54   1.875  -4.423 -11.078
  440   2HB   ARG  54          2HB       ARG  54   0.383  -3.583 -11.553
  441   1HG   ARG  54          1HG       ARG  54   1.623  -1.494 -11.919
  442   2HG   ARG  54          2HG       ARG  54   3.027  -2.177 -11.100
  443   1HD   ARG  54          1HD       ARG  54   3.067  -3.909 -13.044
  444   2HD   ARG  54          2HD       ARG  54   2.034  -2.734 -13.885
  445    HE   ARG  54           HE       ARG  54   4.532  -1.735 -12.620
  446   1HH1  ARG  54          2HH2      ARG  54   3.007  -2.644 -15.705
  447   2HH1  ARG  54          1HH2      ARG  54   4.343  -2.093 -16.661
  448   1HH2  ARG  54          2HH1      ARG  54   6.271  -1.244 -13.813
  449   2HH2  ARG  54          1HH1      ARG  54   6.291  -1.163 -15.550
  450    H    ARG  55           H        ARG  55  -1.360  -3.033  -8.508
  451    HA   ARG  55           HA       ARG  55  -1.994  -0.444  -9.525
  452   1HB   ARG  55          1HB       ARG  55  -3.301  -2.333  -7.551
  453   2HB   ARG  55          2HB       ARG  55  -3.840  -0.717  -7.684
  454   1HG   ARG  55          1HG       ARG  55  -3.848  -2.662  -9.999
  455   2HG   ARG  55          2HG       ARG  55  -5.191  -2.467  -8.892
  456   1HD   ARG  55          1HD       ARG  55  -4.404   0.078 -10.196
  457   2HD   ARG  55          2HD       ARG  55  -4.873  -1.172 -11.327
  458    HE   ARG  55           HE       ARG  55  -6.941  -1.397  -9.728
  459   1HH1  ARG  55          2HH2      ARG  55  -5.603   1.759 -10.911
  460   2HH1  ARG  55          1HH2      ARG  55  -7.119   2.529 -10.561
  461   1HH2  ARG  55          2HH1      ARG  55  -8.976  -0.120  -9.506
  462   2HH2  ARG  55          1HH1      ARG  55  -8.818   1.572  -9.751
  463    H    ILE  56           H        ILE  56  -0.971  -1.886  -6.343
  464    HA   ILE  56           HA       ILE  56  -1.016   0.589  -4.896
  465    HB   ILE  56           HB       ILE  56   0.174  -2.146  -4.486
  466   1HG1  ILE  56          1HG1      ILE  56  -1.352  -2.296  -2.679
  467   2HG1  ILE  56          2HG1      ILE  56  -1.602  -0.558  -2.614
  468   1HG2  ILE  56          3HG2      ILE  56   0.718   0.237  -2.666
  469   2HG2  ILE  56          1HG2      ILE  56   1.002  -1.465  -2.248
  470   3HG2  ILE  56          2HG2      ILE  56   1.921  -0.727  -3.547
  471   1HD1  ILE  56          1HD1      ILE  56  -2.637  -2.325  -4.861
  472   2HD1  ILE  56          2HD1      ILE  56  -3.576  -1.779  -3.463
  473   3HD1  ILE  56          3HD1      ILE  56  -2.976  -0.600  -4.630
  474    H    SER  57           H        SER  57   1.403  -0.786  -7.103
  475    HA   SER  57           HA       SER  57   3.461   1.077  -6.399
  476   1HB   SER  57          1HB       SER  57   3.928  -0.978  -7.675
  477   2HB   SER  57          2HB       SER  57   2.860  -0.443  -8.983
  478    HG   SER  57           HG       SER  57   4.796   0.060  -9.674
  479    H    TRP  58           H        TRP  58   1.191   1.148  -9.255
  480    HA   TRP  58           HA       TRP  58   1.666   3.772 -10.057
  481   1HB   TRP  58          1HB       TRP  58   0.239   2.933 -11.569
  482   2HB   TRP  58          2HB       TRP  58  -0.502   1.832 -10.424
  483    HD1  TRP  58           HD1      TRP  58  -0.803   5.573 -11.411
  484    HE1  TRP  58           HE1      TRP  58  -3.102   6.422 -10.804
  485    HE3  TRP  58           HE3      TRP  58  -2.629   1.360  -9.291
  486    HZ2  TRP  58           HZ2      TRP  58  -5.470   5.366  -9.327
  487    HZ3  TRP  58           HZ3      TRP  58  -4.779   1.290  -8.195
  488    HH2  TRP  58           HH2      TRP  58  -6.195   3.257  -8.089
  489    H    ASP  59           H        ASP  59  -0.588   2.716  -7.523
  490    HA   ASP  59           HA       ASP  59  -1.788   5.148  -6.876
  491   1HB   ASP  59          1HB       ASP  59  -1.081   2.712  -5.184
  492   2HB   ASP  59          2HB       ASP  59  -1.827   4.095  -4.462
  493    HD2  ASP  59           HD2      ASP  59  -4.320   1.844  -6.261
  494    H    ILE  60           H        ILE  60   1.165   3.787  -5.336
  495    HA   ILE  60           HA       ILE  60   1.724   6.138  -3.777
  496    HB   ILE  60           HB       ILE  60   3.131   3.566  -4.452
  497   1HG1  ILE  60          1HG1      ILE  60   3.112   3.140  -2.129
  498   2HG1  ILE  60          2HG1      ILE  60   2.741   4.812  -1.712
  499   1HG2  ILE  60          2HG2      ILE  60   4.442   5.944  -3.090
  500   2HG2  ILE  60          3HG2      ILE  60   5.040   4.276  -3.000
  501   3HG2  ILE  60          1HG2      ILE  60   4.965   5.093  -4.564
  502   1HD1  ILE  60          3HD1      ILE  60   0.796   2.867  -2.984
  503   2HD1  ILE  60          1HD1      ILE  60   0.894   3.298  -1.269
  504   3HD1  ILE  60          2HD1      ILE  60   0.444   4.536  -2.458
  505    H    LEU  61           H        LEU  61   3.039   4.927  -6.916
  506    HA   LEU  61           HA       LEU  61   4.937   6.965  -7.270
  507   1HB   LEU  61          1HB       LEU  61   3.350   5.393  -9.331
  508   2HB   LEU  61          2HB       LEU  61   4.717   6.421  -9.739
  509    HG   LEU  61           HG       LEU  61   4.966   4.056  -7.833
  510   1HD1  LEU  61          1HD1      LEU  61   5.516   4.188 -10.832
  511   2HD1  LEU  61          2HD1      LEU  61   5.889   2.824  -9.756
  512   3HD1  LEU  61          3HD1      LEU  61   4.210   3.270 -10.043
  513   1HD2  LEU  61          2HD2      LEU  61   6.801   5.717  -7.654
  514   2HD2  LEU  61          3HD2      LEU  61   7.341   4.178  -8.321
  515   3HD2  LEU  61          1HD2      LEU  61   7.096   5.570  -9.395
  516    H    THR  62           H        THR  62   1.480   7.003  -8.181
  517    HA   THR  62           HA       THR  62   1.726   9.693  -9.348
  518    HB   THR  62           HB       THR  62  -0.760   9.521  -9.605
  519    HG1  THR  62           HG1      THR  62  -0.350   6.849  -8.717
  520   1HG2  THR  62          3HG2      THR  62   0.812   8.894 -11.394
  521   2HG2  THR  62          1HG2      THR  62   0.843   7.224 -10.797
  522   3HG2  THR  62          2HG2      THR  62  -0.667   7.927 -11.435
  523    H    GLY  63           H        GLY  63   2.202   8.952  -6.344
  524   1HA   GLY  63          1HA       GLY  63   1.746   9.661  -4.262
  525   2HA   GLY  63          2HA       GLY  63   1.783  11.259  -5.027
  526    H    LYS  64           H        LYS  64  -0.669   8.571  -5.228
  527    HA   LYS  64           HA       LYS  64  -2.715  10.655  -4.988
  528   1HB   LYS  64          1HB       LYS  64  -2.832   8.807  -6.658
  529   2HB   LYS  64          2HB       LYS  64  -2.910   7.618  -5.361
  530   1HG   LYS  64          1HG       LYS  64  -5.068   8.626  -4.601
  531   2HG   LYS  64          2HG       LYS  64  -4.977   9.803  -5.907
  532   1HD   LYS  64          1HD       LYS  64  -5.186   6.775  -6.292
  533   2HD   LYS  64          2HD       LYS  64  -6.540   7.906  -6.312
  534   1HE   LYS  64          1HE       LYS  64  -4.926   9.092  -8.171
  535   2HE   LYS  64          2HE       LYS  64  -4.415   7.415  -8.369
  536   1HZ   LYS  64          3HZ       LYS  64  -6.802   6.845  -8.781
  537   2HZ   LYS  64          1HZ       LYS  64  -7.216   8.401  -8.607
  538   3HZ   LYS  64          2HZ       LYS  64  -6.258   7.935  -9.847
  539    H    LYS  65           H        LYS  65  -4.171  10.745  -3.242
  540    HA   LYS  65           HA       LYS  65  -2.897   9.959  -0.718
  541   1HB   LYS  65          1HB       LYS  65  -5.278  11.648  -1.431
  542   2HB   LYS  65          2HB       LYS  65  -5.074  11.137   0.224
  543   1HG   LYS  65          1HG       LYS  65  -4.072  13.427  -0.760
  544   2HG   LYS  65          2HG       LYS  65  -3.417  12.610   0.635
  545   1HD   LYS  65          1HD       LYS  65  -2.207  12.230  -2.139
  546   2HD   LYS  65          2HD       LYS  65  -1.793  13.562  -1.095
  547   1HE   LYS  65          1HE       LYS  65  -0.439  12.378   0.215
  548   2HE   LYS  65          2HE       LYS  65  -1.620  11.104   0.453
  549   1HZ   LYS  65          1HZ       LYS  65  -0.871  10.108  -1.650
  550   2HZ   LYS  65          2HZ       LYS  65   0.303  11.264  -1.780
  551   3HZ   LYS  65          3HZ       LYS  65   0.246  10.193  -0.493
  552    HA   PRO  66           HA       PRO  66  -4.446   6.159   0.194
  553   1HB   PRO  66          1HB       PRO  66  -5.256   6.218   2.854
  554   2HB   PRO  66          2HB       PRO  66  -3.565   6.192   2.280
  555   1HG   PRO  66          1HG       PRO  66  -5.244   8.634   2.963
  556   2HG   PRO  66          2HG       PRO  66  -3.597   8.240   3.549
  557   1HD   PRO  66          1HD       PRO  66  -3.840   9.892   1.508
  558   2HD   PRO  66          2HD       PRO  66  -2.663   8.546   1.345
  559    H    GLN  67           H        GLN  67  -6.920   8.466   1.510
  560    HA   GLN  67           HA       GLN  67  -9.041   6.590   1.435
  561   1HB   GLN  67          1HB       GLN  67  -8.966   8.935   2.475
  562   2HB   GLN  67          2HB       GLN  67  -9.363   9.581   0.895
  563   1HG   GLN  67          1HG       GLN  67 -11.046   7.546   2.445
  564   2HG   GLN  67          2HG       GLN  67 -11.258   9.280   2.569
  565   1HE2  GLN  67          2HE2      GLN  67 -12.428   9.130  -1.098
  566   2HE2  GLN  67          1HE2      GLN  67 -10.921   9.735  -0.462
  567    H    ALA  68           H        ALA  68  -7.632   8.640  -1.144
  568    HA   ALA  68           HA       ALA  68  -9.809   7.957  -3.015
  569   1HB   ALA  68          3HB       ALA  68  -7.135   9.398  -3.445
  570   2HB   ALA  68          1HB       ALA  68  -8.453   9.265  -4.627
  571   3HB   ALA  68          2HB       ALA  68  -8.702  10.184  -3.133
  572    H    ILE  69           H        ILE  69  -6.390   6.900  -2.397
  573    HA   ILE  69           HA       ILE  69  -6.178   5.184  -4.657
  574    HB   ILE  69           HB       ILE  69  -5.071   5.058  -1.799
  575   1HG1  ILE  69          1HG1      ILE  69  -3.633   5.549  -4.424
  576   2HG1  ILE  69          2HG1      ILE  69  -4.220   6.805  -3.391
  577   1HG2  ILE  69          3HG2      ILE  69  -4.874   2.960  -3.942
  578   2HG2  ILE  69          1HG2      ILE  69  -3.510   3.177  -2.845
  579   3HG2  ILE  69          2HG2      ILE  69  -5.098   2.773  -2.211
  580   1HD1  ILE  69          1HD1      ILE  69  -2.222   4.759  -2.347
  581   2HD1  ILE  69          2HD1      ILE  69  -1.756   6.226  -3.189
  582   3HD1  ILE  69          3HD1      ILE  69  -2.677   6.334  -1.676
  583    H    CYS  70           H        CYS  70  -7.312   4.410  -1.367
  584    HA   CYS  70           HA       CYS  70  -8.095   1.731  -1.985
  585   1HB   CYS  70          1HB       CYS  70  -8.931   3.666   0.197
  586   2HB   CYS  70          2HB       CYS  70  -9.286   1.918   0.167
  587    H    VAL  71           H        VAL  71 -10.109   4.835  -2.317
  588    HA   VAL  71           HA       VAL  71 -12.359   3.095  -2.921
  589    HB   VAL  71           HB       VAL  71 -12.111   6.024  -3.673
  590   1HG1  VAL  71          2HG1      VAL  71 -14.500   4.060  -3.389
  591   2HG1  VAL  71          3HG1      VAL  71 -14.674   5.812  -3.646
  592   3HG1  VAL  71          1HG1      VAL  71 -13.948   4.808  -4.895
  593   1HG2  VAL  71          1HG2      VAL  71 -12.013   5.629  -1.164
  594   2HG2  VAL  71          2HG2      VAL  71 -13.444   6.491  -1.703
  595   3HG2  VAL  71          3HG2      VAL  71 -13.517   4.768  -1.311
  596    H    ASP  72           H        ASP  72  -9.700   4.613  -4.922
  597    HA   ASP  72           HA       ASP  72 -10.845   4.188  -7.466
  598   1HB   ASP  72          1HB       ASP  72  -8.808   5.539  -6.878
  599   2HB   ASP  72          2HB       ASP  72  -7.908   4.051  -6.666
  600    H    ILE  73           H        ILE  73  -8.717   2.086  -5.538
  601    HA   ILE  73           HA       ILE  73  -9.070  -0.179  -7.391
  602    HB   ILE  73           HB       ILE  73  -7.491  -1.321  -6.031
  603   1HG1  ILE  73          1HG1      ILE  73  -7.964   0.907  -4.009
  604   2HG1  ILE  73          2HG1      ILE  73  -8.256  -0.798  -3.806
  605   1HG2  ILE  73          3HG2      ILE  73  -6.769   0.511  -7.576
  606   2HG2  ILE  73          1HG2      ILE  73  -6.520   1.534  -6.152
  607   3HG2  ILE  73          2HG2      ILE  73  -5.602   0.013  -6.346
  608   1HD1  ILE  73          2HD1      ILE  73  -5.827  -1.234  -3.972
  609   2HD1  ILE  73          3HD1      ILE  73  -5.536   0.525  -4.091
  610   3HD1  ILE  73          1HD1      ILE  73  -6.238  -0.138  -2.620
  611    H    LYS  74           H        LYS  74 -11.017   1.135  -5.193
  612    HA   LYS  74           HA       LYS  74 -12.687   0.858  -3.980
  613   1HB   LYS  74          1HB       LYS  74 -13.249   0.356  -6.327
  614   2HB   LYS  74          2HB       LYS  74 -13.248  -1.366  -5.927
  615   1HG   LYS  74          1HG       LYS  74 -14.922   0.777  -4.575
  616   2HG   LYS  74          2HG       LYS  74 -15.370  -0.155  -5.953
  617   1HD   LYS  74          1HD       LYS  74 -14.952  -1.146  -3.099
  618   2HD   LYS  74          2HD       LYS  74 -16.494  -0.883  -3.870
  619   1HE   LYS  74          1HE       LYS  74 -16.575  -2.946  -4.665
  620   2HE   LYS  74          2HE       LYS  74 -15.039  -2.734  -5.527
  621   1HZ   LYS  74          2HZ       LYS  74 -15.168  -3.381  -2.639
  622   2HZ   LYS  74          3HZ       LYS  74 -15.037  -4.552  -3.811
  623   3HZ   LYS  74          1HZ       LYS  74 -13.877  -3.383  -3.564
  624    H    ILE  75           H        ILE  75 -11.500   0.421  -2.293
  625    HA   ILE  75           HA       ILE  75 -12.255  -1.971  -0.734
  626    HB   ILE  75           HB       ILE  75  -9.545  -0.581  -0.660
  627   1HG1  ILE  75          1HG1      ILE  75 -10.019  -3.401  -1.757
  628   2HG1  ILE  75          2HG1      ILE  75  -9.818  -1.987  -2.780
  629   1HG2  ILE  75          3HG2      ILE  75 -10.567  -3.125   0.658
  630   2HG2  ILE  75          1HG2      ILE  75  -8.890  -2.585   0.760
  631   3HG2  ILE  75          2HG2      ILE  75 -10.147  -1.595   1.475
  632   1HD1  ILE  75          3HD1      ILE  75  -7.628  -1.526  -1.573
  633   2HD1  ILE  75          1HD1      ILE  75  -7.730  -3.187  -0.965
  634   3HD1  ILE  75          2HD1      ILE  75  -7.679  -2.882  -2.713
  635    H    CYS  76           H        CYS  76 -12.016   1.490  -1.152
  636    HA   CYS  76           HA       CYS  76 -12.878   1.869   1.644
  637   1HB   CYS  76          1HB       CYS  76 -10.700   2.930   1.342
  638   2HB   CYS  76          2HB       CYS  76 -11.374   3.917   0.043
  639    H    LYS  77           H        LYS  77 -14.149   3.980   1.773
  640    HA   LYS  77           HA       LYS  77 -16.214   4.829   1.591
  641   1HB   LYS  77          1HB       LYS  77 -15.174   6.053  -0.325
  642   2HB   LYS  77          2HB       LYS  77 -15.753   4.783  -1.410
  643   1HG   LYS  77          1HG       LYS  77 -17.075   6.833  -1.538
  644   2HG   LYS  77          2HG       LYS  77 -18.026   5.439  -1.119
  645   1HD   LYS  77          1HD       LYS  77 -18.867   7.170   0.176
  646   2HD   LYS  77          2HD       LYS  77 -17.957   6.217   1.323
  647   1HE   LYS  77          1HE       LYS  77 -16.934   8.748  -0.078
  648   2HE   LYS  77          2HE       LYS  77 -17.751   8.748   1.485
  649   1HZ   LYS  77          2HZ       LYS  77 -15.945   7.322   2.320
  650   2HZ   LYS  77          3HZ       LYS  77 -15.110   7.530   0.909
  651   3HZ   LYS  77          1HZ       LYS  77 -15.429   8.808   1.849
  652    H    GLU  78           H        GLU  78 -15.671   2.006   1.712
  653    HA   GLU  78           HA       GLU  78 -17.912   0.881   0.349
  654   1HB   GLU  78          1HB       GLU  78 -15.708  -0.350   2.115
  655   2HB   GLU  78          2HB       GLU  78 -17.088  -1.259   1.500
  656   1HG   GLU  78          1HG       GLU  78 -16.307  -0.630  -0.852
  657   2HG   GLU  78          2HG       GLU  78 -14.813  -0.060  -0.100
   
  No H/Q in entry =         657
  Start of MODEL   15
    1   1H    GLY   1          3H        GLY   1 -17.146   0.460   4.830
    2   2H    GLY   1          1H        GLY   1 -18.348  -0.545   4.489
    3   3H    GLY   1          2H        GLY   1 -17.946  -0.278   6.080
    4   1HA   GLY   1          1HA       GLY   1 -17.136  -2.440   5.344
    5   2HA   GLY   1          2HA       GLY   1 -16.322  -1.608   4.015
    6    H    TYR   2           H        TYR   2 -15.703  -3.024   6.952
    7    HA   TYR   2           HA       TYR   2 -13.820  -1.463   8.331
    8   1HB   TYR   2          1HB       TYR   2 -14.613  -3.567   9.174
    9   2HB   TYR   2          2HB       TYR   2 -14.112  -4.422   7.726
   10    HD1  TYR   2           HD1      TYR   2 -12.382  -2.243  10.337
   11    HD2  TYR   2           HD2      TYR   2 -12.383  -5.914   8.056
   12    HE1  TYR   2           HE1      TYR   2 -10.293  -2.950  11.453
   13    HE2  TYR   2           HE2      TYR   2 -10.311  -6.619   9.178
   14    HH   TYR   2           HH       TYR   2  -8.909  -6.179  11.049
   15    H    PHE   3           H        PHE   3 -13.535  -3.048   5.204
   16    HA   PHE   3           HA       PHE   3 -10.789  -3.099   4.816
   17   1HB   PHE   3          1HB       PHE   3 -13.170  -2.708   3.000
   18   2HB   PHE   3          2HB       PHE   3 -11.549  -2.599   2.388
   19    HD1  PHE   3           HD2      PHE   3 -11.659  -5.139   5.014
   20    HD2  PHE   3           HD1      PHE   3 -12.492  -4.339   0.845
   21    HE1  PHE   3           HE2      PHE   3 -11.447  -7.531   4.505
   22    HE2  PHE   3           HE1      PHE   3 -12.266  -6.739   0.344
   23    HZ   PHE   3           HZ       PHE   3 -11.723  -8.348   2.175
   24    H    CYS   4           H        CYS   4 -12.921  -0.168   4.589
   25    HA   CYS   4           HA       CYS   4 -11.066   1.320   3.138
   26   1HB   CYS   4          1HB       CYS   4 -13.359   2.246   3.617
   27   2HB   CYS   4          2HB       CYS   4 -12.960   2.328   5.321
   28    H    GLU   5           H        GLU   5 -11.406   1.451   6.761
   29    HA   GLU   5           HA       GLU   5  -9.191   3.215   7.000
   30   1HB   GLU   5          1HB       GLU   5 -11.054   2.794   8.718
   31   2HB   GLU   5          2HB       GLU   5 -10.105   1.409   9.258
   32   1HG   GLU   5          1HG       GLU   5  -9.220   4.342   9.163
   33   2HG   GLU   5          2HG       GLU   5  -9.660   3.442  10.612
   34    H    SER   6           H        SER   6  -9.487  -0.334   7.449
   35    HA   SER   6           HA       SER   6  -6.887  -1.006   8.061
   36   1HB   SER   6          1HB       SER   6  -8.708  -2.485   6.110
   37   2HB   SER   6          2HB       SER   6  -7.402  -3.161   7.100
   38    HG   SER   6           HG       SER   6  -9.969  -2.292   7.879
   39    H    CYS   7           H        CYS   7  -8.210  -0.536   4.739
   40    HA   CYS   7           HA       CYS   7  -5.806  -0.997   3.285
   41   1HB   CYS   7          1HB       CYS   7  -8.028  -1.098   2.351
   42   2HB   CYS   7          2HB       CYS   7  -8.319   0.599   2.670
   43    H    ARG   8           H        ARG   8  -7.360   2.037   4.434
   44    HA   ARG   8           HA       ARG   8  -5.383   3.826   3.500
   45   1HB   ARG   8          1HB       ARG   8  -7.451   4.695   4.224
   46   2HB   ARG   8          2HB       ARG   8  -7.376   3.928   5.796
   47   1HG   ARG   8          1HG       ARG   8  -5.237   5.943   5.140
   48   2HG   ARG   8          2HG       ARG   8  -6.875   6.532   5.432
   49   1HD   ARG   8          1HD       ARG   8  -6.971   5.576   7.625
   50   2HD   ARG   8          2HD       ARG   8  -5.470   4.678   7.398
   51    HE   ARG   8           HE       ARG   8  -4.652   7.258   7.013
   52   1HH1  ARG   8          2HH2      ARG   8  -6.291   5.573   9.705
   53   2HH1  ARG   8          1HH2      ARG   8  -5.823   6.771  10.867
   54   1HH2  ARG   8          2HH1      ARG   8  -3.785   8.561   8.507
   55   2HH2  ARG   8          1HH1      ARG   8  -4.252   8.537  10.178
   56    H    LYS   9           H        LYS   9  -5.516   2.013   6.606
   57    HA   LYS   9           HA       LYS   9  -3.124   3.121   7.660
   58   1HB   LYS   9          1HB       LYS   9  -4.933   1.974   8.929
   59   2HB   LYS   9          2HB       LYS   9  -4.453   0.428   8.226
   60   1HG   LYS   9          1HG       LYS   9  -2.276   0.549   9.282
   61   2HG   LYS   9          2HG       LYS   9  -2.588   2.178   9.894
   62   1HD   LYS   9          1HD       LYS   9  -4.466  -0.080  10.671
   63   2HD   LYS   9          2HD       LYS   9  -2.870   0.003  11.399
   64   1HE   LYS   9          1HE       LYS   9  -4.359   1.071  12.898
   65   2HE   LYS   9          2HE       LYS   9  -3.324   2.325  12.193
   66   1HZ   LYS   9          3HZ       LYS   9  -6.103   1.756  11.300
   67   2HZ   LYS   9          1HZ       LYS   9  -5.699   2.934  12.350
   68   3HZ   LYS   9          2HZ       LYS   9  -5.233   2.957  10.781
   69    H    ILE  10           H        ILE  10  -3.692   0.160   5.709
   70    HA   ILE  10           HA       ILE  10  -1.031  -0.796   5.608
   71    HB   ILE  10           HB       ILE  10  -3.313  -1.022   3.640
   72   1HG1  ILE  10          1HG1      ILE  10  -2.010  -3.192   5.332
   73   2HG1  ILE  10          2HG1      ILE  10  -3.254  -2.162   6.011
   74   1HG2  ILE  10          3HG2      ILE  10  -0.564  -2.330   3.532
   75   2HG2  ILE  10          1HG2      ILE  10  -1.952  -2.879   2.574
   76   3HG2  ILE  10          2HG2      ILE  10  -1.286  -1.276   2.301
   77   1HD1  ILE  10          3HD1      ILE  10  -3.659  -3.820   3.495
   78   2HD1  ILE  10          1HD1      ILE  10  -4.182  -4.278   5.113
   79   3HD1  ILE  10          2HD1      ILE  10  -4.873  -2.839   4.341
   80    H    ILE  11           H        ILE  11  -2.677   1.433   3.264
   81    HA   ILE  11           HA       ILE  11  -0.247   1.854   1.855
   82    HB   ILE  11           HB       ILE  11  -2.860   3.244   1.814
   83   1HG1  ILE  11          1HG1      ILE  11  -1.472   2.261  -0.653
   84   2HG1  ILE  11          2HG1      ILE  11  -1.635   0.987   0.551
   85   1HG2  ILE  11          3HG2      ILE  11  -0.374   4.136   0.268
   86   2HG2  ILE  11          1HG2      ILE  11  -2.037   4.670  -0.032
   87   3HG2  ILE  11          2HG2      ILE  11  -1.221   5.104   1.472
   88   1HD1  ILE  11          1HD1      ILE  11  -3.899   2.716  -0.380
   89   2HD1  ILE  11          2HD1      ILE  11  -3.516   1.051  -0.941
   90   3HD1  ILE  11          3HD1      ILE  11  -3.969   1.338   0.762
   91    H    GLN  12           H        GLN  12  -1.734   3.778   4.555
   92    HA   GLN  12           HA       GLN  12   0.019   5.943   4.404
   93   1HB   GLN  12          1HB       GLN  12  -1.356   4.671   6.798
   94   2HB   GLN  12          2HB       GLN  12  -0.436   6.171   6.924
   95   1HG   GLN  12          1HG       GLN  12  -2.415   6.147   4.702
   96   2HG   GLN  12          2HG       GLN  12  -3.098   5.976   6.306
   97   1HE2  GLN  12          2HE2      GLN  12  -1.102   9.514   5.476
   98   2HE2  GLN  12          1HE2      GLN  12  -0.726   8.141   4.480
   99    H    LYS  13           H        LYS  13   0.542   2.897   6.312
  100    HA   LYS  13           HA       LYS  13   3.060   3.949   7.284
  101   1HB   LYS  13          1HB       LYS  13   1.665   2.107   8.376
  102   2HB   LYS  13          2HB       LYS  13   2.256   1.022   7.119
  103   1HG   LYS  13          1HG       LYS  13   3.484   0.742   9.196
  104   2HG   LYS  13          2HG       LYS  13   4.568   1.285   7.930
  105   1HD   LYS  13          1HD       LYS  13   3.351   3.414   9.699
  106   2HD   LYS  13          2HD       LYS  13   4.518   2.313  10.444
  107   1HE   LYS  13          1HE       LYS  13   6.193   2.851   8.711
  108   2HE   LYS  13          2HE       LYS  13   5.066   3.940   7.922
  109   1HZ   LYS  13          1HZ       LYS  13   6.139   4.425  10.659
  110   2HZ   LYS  13          2HZ       LYS  13   6.569   5.145   9.217
  111   3HZ   LYS  13          3HZ       LYS  13   5.166   5.437   9.731
  112    H    LEU  14           H        LEU  14   2.100   2.286   4.341
  113    HA   LEU  14           HA       LEU  14   4.742   1.477   3.491
  114   1HB   LEU  14          1HB       LEU  14   2.293   0.816   2.611
  115   2HB   LEU  14          2HB       LEU  14   2.456   2.249   1.645
  116    HG   LEU  14           HG       LEU  14   4.133  -0.241   1.531
  117   1HD1  LEU  14          1HD1      LEU  14   2.210   1.161  -0.363
  118   2HD1  LEU  14          2HD1      LEU  14   3.159  -0.242  -0.811
  119   3HD1  LEU  14          3HD1      LEU  14   1.952  -0.378   0.485
  120   1HD2  LEU  14          2HD2      LEU  14   4.652   2.314  -0.013
  121   2HD2  LEU  14          3HD2      LEU  14   5.740   1.511   1.142
  122   3HD2  LEU  14          1HD2      LEU  14   5.356   0.720  -0.378
  123    H    GLU  15           H        GLU  15   2.591   4.182   2.745
  124    HA   GLU  15           HA       GLU  15   4.059   5.707   0.961
  125   1HB   GLU  15          1HB       GLU  15   1.579   5.656   1.498
  126   2HB   GLU  15          2HB       GLU  15   1.933   6.394   3.055
  127   1HG   GLU  15          1HG       GLU  15   2.726   8.429   1.701
  128   2HG   GLU  15          2HG       GLU  15   2.021   7.616   0.299
  129    H    ASP  16           H        ASP  16   3.724   6.048   4.491
  130    HA   ASP  16           HA       ASP  16   5.526   8.176   4.966
  131   1HB   ASP  16          1HB       ASP  16   3.978   7.423   6.643
  132   2HB   ASP  16          2HB       ASP  16   4.463   5.745   6.450
  133    H    MET  17           H        MET  17   6.170   4.631   4.887
  134    HA   MET  17           HA       MET  17   8.947   5.049   5.562
  135   1HB   MET  17          1HB       MET  17   7.327   2.657   4.608
  136   2HB   MET  17          2HB       MET  17   9.093   2.583   4.721
  137   1HG   MET  17          1HG       MET  17   9.074   3.145   7.051
  138   2HG   MET  17          2HG       MET  17   7.349   3.471   7.027
  139   1HE   MET  17          1HE       MET  17   9.753   0.454   5.905
  140   2HE   MET  17          2HE       MET  17   8.660  -0.923   6.195
  141   3HE   MET  17          3HE       MET  17   8.265   0.271   4.950
  142    H    VAL  18           H        VAL  18   7.274   4.364   2.429
  143    HA   VAL  18           HA       VAL  18   9.771   4.139   1.010
  144    HB   VAL  18           HB       VAL  18   7.473   3.129   0.477
  145   1HG1  VAL  18          2HG1      VAL  18   6.189   5.244   0.469
  146   2HG1  VAL  18          3HG1      VAL  18   7.007   5.698  -1.029
  147   3HG1  VAL  18          1HG1      VAL  18   5.987   4.246  -0.985
  148   1HG2  VAL  18          3HG2      VAL  18   9.468   4.174  -1.479
  149   2HG2  VAL  18          1HG2      VAL  18   9.177   2.548  -0.861
  150   3HG2  VAL  18          2HG2      VAL  18   8.039   3.253  -2.015
  151    H    GLY  19           H        GLY  19   7.677   6.777   1.975
  152   1HA   GLY  19          1HA       GLY  19   8.153   8.954   2.159
  153   2HA   GLY  19          2HA       GLY  19   9.631   8.776   1.189
  154    HA   PRO  20           HA       PRO  20   6.018  10.465  -1.255
  155   1HB   PRO  20          1HB       PRO  20   6.468  13.158  -1.389
  156   2HB   PRO  20          2HB       PRO  20   5.841  12.384   0.095
  157   1HG   PRO  20          1HG       PRO  20   8.745  13.037  -0.550
  158   2HG   PRO  20          2HG       PRO  20   7.817  13.493   0.915
  159   1HD   PRO  20          1HD       PRO  20   9.410  11.267   0.823
  160   2HD   PRO  20          2HD       PRO  20   7.877  11.288   1.748
  161    H    GLN  21           H        GLN  21   9.099  10.052  -1.966
  162    HA   GLN  21           HA       GLN  21   8.646  10.459  -4.863
  163   1HB   GLN  21          1HB       GLN  21  11.101  11.592  -3.447
  164   2HB   GLN  21          2HB       GLN  21  11.027  11.234  -5.168
  165   1HG   GLN  21          1HG       GLN  21  10.599  13.465  -5.170
  166   2HG   GLN  21          2HG       GLN  21   8.983  12.784  -5.294
  167   1HE2  GLN  21          2HE2      GLN  21   7.982  14.737  -2.515
  168   2HE2  GLN  21          1HE2      GLN  21   7.495  13.716  -3.880
  169    HA   PRO  22           HA       PRO  22  10.687   6.469  -3.768
  170   1HB   PRO  22          1HB       PRO  22   8.728   4.691  -3.868
  171   2HB   PRO  22          2HB       PRO  22   8.741   5.932  -2.568
  172   1HG   PRO  22          1HG       PRO  22   7.182   6.012  -5.162
  173   2HG   PRO  22          2HG       PRO  22   6.578   6.223  -3.479
  174   1HD   PRO  22          1HD       PRO  22   7.353   8.349  -5.113
  175   2HD   PRO  22          2HD       PRO  22   7.409   8.372  -3.326
  176    H    ASN  23           H        ASN  23  10.627   4.315  -5.147
  177    HA   ASN  23           HA       ASN  23   9.921   4.671  -7.980
  178   1HB   ASN  23          1HB       ASN  23  12.056   3.706  -8.701
  179   2HB   ASN  23          2HB       ASN  23  12.331   5.209  -7.821
  180   1HD2  ASN  23          2HD2      ASN  23  14.107   1.895  -6.407
  181   2HD2  ASN  23          1HD2      ASN  23  13.438   1.940  -8.025
  182    H    GLU  24           H        GLU  24   9.575   2.633  -8.975
  183    HA   GLU  24           HA       GLU  24   7.846   0.957  -7.857
  184   1HB   GLU  24          1HB       GLU  24   8.514   1.239 -10.258
  185   2HB   GLU  24          2HB       GLU  24   9.924   0.251  -9.950
  186   1HG   GLU  24          1HG       GLU  24   8.465  -1.242 -10.959
  187   2HG   GLU  24          2HG       GLU  24   8.229  -1.630  -9.261
  188    H    ASP  25           H        ASP  25  11.398   0.233  -7.708
  189    HA   ASP  25           HA       ASP  25  10.950  -2.381  -6.524
  190   1HB   ASP  25          1HB       ASP  25  13.087  -1.993  -7.598
  191   2HB   ASP  25          2HB       ASP  25  13.443  -0.644  -6.497
  192    H    THR  26           H        THR  26  12.087   0.774  -5.144
  193    HA   THR  26           HA       THR  26  12.123   0.052  -2.524
  194    HB   THR  26           HB       THR  26  11.298   2.794  -3.581
  195    HG1  THR  26           HG1      THR  26  13.310   2.965  -4.281
  196   1HG2  THR  26          1HG2      THR  26  11.389   2.516  -1.054
  197   2HG2  THR  26          2HG2      THR  26  13.064   1.974  -1.212
  198   3HG2  THR  26          3HG2      THR  26  12.617   3.628  -1.678
  199    H    VAL  27           H        VAL  27   9.295   1.095  -4.434
  200    HA   VAL  27           HA       VAL  27   7.461   1.092  -2.198
  201    HB   VAL  27           HB       VAL  27   6.723   0.466  -5.087
  202   1HG1  VAL  27          2HG1      VAL  27   5.201   1.495  -2.644
  203   2HG1  VAL  27          3HG1      VAL  27   4.560   1.554  -4.281
  204   3HG1  VAL  27          1HG1      VAL  27   4.913  -0.016  -3.543
  205   1HG2  VAL  27          1HG2      VAL  27   7.887   2.678  -5.021
  206   2HG2  VAL  27          2HG2      VAL  27   6.184   2.816  -5.410
  207   3HG2  VAL  27          3HG2      VAL  27   6.758   3.220  -3.781
  208    H    THR  28           H        THR  28   8.424  -1.476  -4.543
  209    HA   THR  28           HA       THR  28   6.665  -3.473  -3.579
  210    HB   THR  28           HB       THR  28   9.316  -3.648  -5.078
  211    HG1  THR  28           HG1      THR  28   7.920  -2.578  -6.315
  212   1HG2  THR  28          2HG2      THR  28   7.111  -5.719  -4.733
  213   2HG2  THR  28          3HG2      THR  28   8.482  -5.823  -5.870
  214   3HG2  THR  28          1HG2      THR  28   8.787  -5.838  -4.131
  215    H    GLN  29           H        GLN  29  10.124  -2.788  -2.670
  216    HA   GLN  29           HA       GLN  29  10.133  -4.920  -0.722
  217   1HB   GLN  29          1HB       GLN  29  12.176  -3.859   0.176
  218   2HB   GLN  29          2HB       GLN  29  12.232  -4.382  -1.505
  219   1HG   GLN  29          1HG       GLN  29  12.205  -2.195  -2.338
  220   2HG   GLN  29          2HG       GLN  29  11.727  -1.495  -0.777
  221   1HE2  GLN  29          2HE2      GLN  29  15.637  -1.848  -1.615
  222   2HE2  GLN  29          1HE2      GLN  29  14.406  -2.074  -2.842
  223    H    ALA  30           H        ALA  30   9.626  -1.339  -0.386
  224    HA   ALA  30           HA       ALA  30   9.296  -1.348   2.401
  225   1HB   ALA  30          3HB       ALA  30   9.562   0.719   1.095
  226   2HB   ALA  30          1HB       ALA  30   7.962   0.472   0.354
  227   3HB   ALA  30          2HB       ALA  30   8.100   0.789   2.095
  228    H    ALA  31           H        ALA  31   6.929  -2.084  -0.142
  229    HA   ALA  31           HA       ALA  31   4.648  -2.332   1.614
  230   1HB   ALA  31          3HB       ALA  31   4.579  -1.818  -0.878
  231   2HB   ALA  31          1HB       ALA  31   5.121  -3.461  -1.217
  232   3HB   ALA  31          2HB       ALA  31   3.554  -3.189  -0.432
  233    H    SER  32           H        SER  32   6.859  -4.785   0.049
  234    HA   SER  32           HA       SER  32   5.434  -7.017   1.229
  235   1HB   SER  32          1HB       SER  32   7.608  -8.268   0.864
  236   2HB   SER  32          2HB       SER  32   6.878  -7.552  -0.585
  237    HG   SER  32           HG       SER  32   8.379  -5.932  -0.562
  238    H    GLN  33           H        GLN  33   7.828  -4.798   2.532
  239    HA   GLN  33           HA       GLN  33   7.770  -6.146   5.123
  240   1HB   GLN  33          1HB       GLN  33   8.952  -3.556   4.020
  241   2HB   GLN  33          2HB       GLN  33   8.921  -3.866   5.751
  242   1HG   GLN  33          1HG       GLN  33  10.220  -5.712   3.701
  243   2HG   GLN  33          2HG       GLN  33  11.071  -4.542   4.719
  244   1HE2  GLN  33          2HE2      GLN  33  10.318  -8.117   6.321
  245   2HE2  GLN  33          1HE2      GLN  33  10.331  -7.806   4.586
  246    H    VAL  34           H        VAL  34   5.983  -3.373   3.606
  247    HA   VAL  34           HA       VAL  34   5.097  -2.215   5.898
  248    HB   VAL  34           HB       VAL  34   4.562  -1.460   3.536
  249   1HG1  VAL  34          3HG1      VAL  34   2.938  -3.332   2.801
  250   2HG1  VAL  34          1HG1      VAL  34   1.833  -2.662   3.983
  251   3HG1  VAL  34          2HG1      VAL  34   2.386  -1.675   2.630
  252   1HG2  VAL  34          1HG2      VAL  34   2.760  -1.154   5.886
  253   2HG2  VAL  34          2HG2      VAL  34   4.163  -0.157   5.351
  254   3HG2  VAL  34          3HG2      VAL  34   2.652  -0.176   4.422
  255    H    CYS  35           H        CYS  35   3.846  -5.011   4.174
  256    HA   CYS  35           HA       CYS  35   1.597  -5.569   5.851
  257   1HB   CYS  35          1HB       CYS  35   3.245  -7.530   4.212
  258   2HB   CYS  35          2HB       CYS  35   1.605  -7.755   4.821
  259    H    ASP  36           H        ASP  36   4.965  -7.087   5.792
  260    HA   ASP  36           HA       ASP  36   4.342  -8.732   8.036
  261   1HB   ASP  36          1HB       ASP  36   6.431  -9.016   6.672
  262   2HB   ASP  36          2HB       ASP  36   7.132  -7.661   7.596
  263    H    LYS  37           H        LYS  37   5.578  -5.428   7.948
  264    HA   LYS  37           HA       LYS  37   6.095  -5.231  10.735
  265   1HB   LYS  37          1HB       LYS  37   7.009  -3.990   8.701
  266   2HB   LYS  37          2HB       LYS  37   5.564  -2.979   8.739
  267   1HG   LYS  37          1HG       LYS  37   6.284  -2.036  10.889
  268   2HG   LYS  37          2HG       LYS  37   7.591  -3.244  11.015
  269   1HD   LYS  37          1HD       LYS  37   8.566  -2.383   8.872
  270   2HD   LYS  37          2HD       LYS  37   7.313  -1.134   8.829
  271   1HE   LYS  37          1HE       LYS  37   8.210  -0.147  10.904
  272   2HE   LYS  37          2HE       LYS  37   9.394  -1.459  11.035
  273   1HZ   LYS  37          1HZ       LYS  37   9.296   0.486   8.803
  274   2HZ   LYS  37          2HZ       LYS  37  10.356   0.545  10.062
  275   3HZ   LYS  37          3HZ       LYS  37  10.415  -0.701   9.002
  276    H    LEU  38           H        LEU  38   3.227  -4.275   8.720
  277    HA   LEU  38           HA       LEU  38   1.749  -3.441  11.149
  278   1HB   LEU  38          1HB       LEU  38   0.909  -3.851   8.243
  279   2HB   LEU  38          2HB       LEU  38  -0.196  -3.385   9.528
  280    HG   LEU  38           HG       LEU  38   2.197  -1.710   8.643
  281   1HD1  LEU  38          2HD1      LEU  38  -0.790  -1.479   8.044
  282   2HD1  LEU  38          3HD1      LEU  38   0.438  -0.277   7.604
  283   3HD1  LEU  38          1HD1      LEU  38   0.503  -1.894   6.892
  284   1HD2  LEU  38          2HD2      LEU  38  -0.121  -1.103  10.541
  285   2HD2  LEU  38          3HD2      LEU  38   1.601  -1.218  10.971
  286   3HD2  LEU  38          1HD2      LEU  38   1.042   0.094   9.933
  287    H    LYS  39           H        LYS  39   2.282  -5.484  12.233
  288    HA   LYS  39           HA       LYS  39   1.262  -7.884  10.996
  289   1HB   LYS  39          1HB       LYS  39   2.039  -9.099  13.030
  290   2HB   LYS  39          2HB       LYS  39   3.195  -8.316  11.989
  291   1HG   LYS  39          1HG       LYS  39   3.201  -6.371  13.726
  292   2HG   LYS  39          2HG       LYS  39   2.353  -7.512  14.772
  293   1HD   LYS  39          1HD       LYS  39   4.630  -7.666  15.332
  294   2HD   LYS  39          2HD       LYS  39   4.321  -9.127  14.417
  295   1HE   LYS  39          1HE       LYS  39   5.518  -6.630  13.114
  296   2HE   LYS  39          2HE       LYS  39   6.519  -7.725  14.068
  297   1HZ   LYS  39          3HZ       LYS  39   5.878  -9.523  12.492
  298   2HZ   LYS  39          1HZ       LYS  39   5.133  -8.374  11.547
  299   3HZ   LYS  39          2HZ       LYS  39   6.690  -8.340  11.744
  300    H    ILE  40           H        ILE  40  -0.186  -9.424  12.224
  301    HA   ILE  40           HA       ILE  40  -2.261  -9.990  12.899
  302    HB   ILE  40           HB       ILE  40  -2.712  -7.119  13.856
  303   1HG1  ILE  40          1HG1      ILE  40  -2.213  -9.685  15.436
  304   2HG1  ILE  40          2HG1      ILE  40  -0.977  -8.468  15.113
  305   1HG2  ILE  40          1HG2      ILE  40  -4.824  -8.172  13.158
  306   2HG2  ILE  40          2HG2      ILE  40  -4.476  -9.573  14.191
  307   3HG2  ILE  40          3HG2      ILE  40  -4.753  -7.965  14.892
  308   1HD1  ILE  40          3HD1      ILE  40  -2.355  -6.760  16.308
  309   2HD1  ILE  40          1HD1      ILE  40  -3.489  -8.054  16.772
  310   3HD1  ILE  40          2HD1      ILE  40  -1.812  -8.106  17.329
  311    H    LEU  41           H        LEU  41  -2.335  -6.654  11.532
  312    HA   LEU  41           HA       LEU  41  -4.442  -7.400   9.667
  313   1HB   LEU  41          1HB       LEU  41  -4.100  -5.257  11.011
  314   2HB   LEU  41          2HB       LEU  41  -2.837  -4.808   9.893
  315    HG   LEU  41           HG       LEU  41  -5.274  -3.859   9.772
  316   1HD1  LEU  41          1HD1      LEU  41  -3.545  -3.214   8.243
  317   2HD1  LEU  41          2HD1      LEU  41  -3.825  -4.650   7.251
  318   3HD1  LEU  41          3HD1      LEU  41  -5.083  -3.405   7.398
  319   1HD2  LEU  41          3HD2      LEU  41  -6.446  -6.020   9.679
  320   2HD2  LEU  41          1HD2      LEU  41  -6.841  -4.973   8.320
  321   3HD2  LEU  41          2HD2      LEU  41  -5.728  -6.339   8.080
  322    H    ARG  42           H        ARG  42  -1.336  -8.072   9.636
  323    HA   ARG  42           HA       ARG  42  -0.142  -7.694   7.176
  324   1HB   ARG  42          1HB       ARG  42   0.863  -8.670   9.145
  325   2HB   ARG  42          2HB       ARG  42  -0.219 -10.056   9.106
  326   1HG   ARG  42          1HG       ARG  42   0.999 -10.895   7.080
  327   2HG   ARG  42          2HG       ARG  42   2.101  -9.502   7.212
  328   1HD   ARG  42          1HD       ARG  42   2.488 -10.196   9.649
  329   2HD   ARG  42          2HD       ARG  42   1.611 -11.683   9.309
  330    HE   ARG  42           HE       ARG  42   4.323 -10.858   8.425
  331   1HH1  ARG  42          2HH2      ARG  42   2.010 -13.572   8.513
  332   2HH1  ARG  42          1HH2      ARG  42   3.279 -14.741   8.424
  333   1HH2  ARG  42          2HH1      ARG  42   5.828 -12.263   8.361
  334   2HH2  ARG  42          1HH1      ARG  42   5.595 -13.987   8.265
  335    H    GLY  43           H        GLY  43  -2.676 -10.040   8.100
  336   1HA   GLY  43          1HA       GLY  43  -2.668 -11.697   5.802
  337   2HA   GLY  43          2HA       GLY  43  -4.054 -11.402   6.865
  338    H    LEU  44           H        LEU  44  -4.630  -8.717   6.491
  339    HA   LEU  44           HA       LEU  44  -6.041  -8.829   4.012
  340   1HB   LEU  44          1HB       LEU  44  -6.815  -7.509   5.991
  341   2HB   LEU  44          2HB       LEU  44  -5.451  -6.407   5.761
  342    HG   LEU  44           HG       LEU  44  -6.340  -5.840   3.473
  343   1HD1  LEU  44          3HD1      LEU  44  -8.742  -7.490   4.381
  344   2HD1  LEU  44          1HD1      LEU  44  -8.733  -6.385   2.993
  345   3HD1  LEU  44          2HD1      LEU  44  -7.702  -7.816   2.970
  346   1HD2  LEU  44          3HD2      LEU  44  -8.238  -5.349   5.796
  347   2HD2  LEU  44          1HD2      LEU  44  -6.790  -4.402   5.374
  348   3HD2  LEU  44          2HD2      LEU  44  -8.179  -4.422   4.279
  349    H    CYS  45           H        CYS  45  -3.169  -6.905   5.041
  350    HA   CYS  45           HA       CYS  45  -2.558  -5.654   2.671
  351   1HB   CYS  45          1HB       CYS  45  -1.544  -5.394   4.931
  352   2HB   CYS  45          2HB       CYS  45  -0.638  -6.877   4.688
  353    H    LYS  46           H        LYS  46  -1.507  -9.028   3.602
  354    HA   LYS  46           HA       LYS  46  -0.217  -9.408   1.039
  355   1HB   LYS  46          1HB       LYS  46  -1.309 -11.611   2.835
  356   2HB   LYS  46          2HB       LYS  46  -0.238 -11.809   1.464
  357   1HG   LYS  46          1HG       LYS  46   0.378 -10.944   4.234
  358   2HG   LYS  46          2HG       LYS  46   1.236 -12.052   3.192
  359   1HD   LYS  46          1HD       LYS  46   1.252  -9.041   2.971
  360   2HD   LYS  46          2HD       LYS  46   2.490  -9.997   3.782
  361   1HE   LYS  46          1HE       LYS  46   3.115 -11.038   1.630
  362   2HE   LYS  46          2HE       LYS  46   1.861 -10.101   0.803
  363   1HZ   LYS  46          3HZ       LYS  46   3.039  -8.071   1.467
  364   2HZ   LYS  46          1HZ       LYS  46   4.215  -8.952   2.205
  365   3HZ   LYS  46          2HZ       LYS  46   4.011  -9.052   0.583
  366    H    LYS  47           H        LYS  47  -3.600 -10.072   2.106
  367    HA   LYS  47           HA       LYS  47  -4.352 -11.447  -0.266
  368   1HB   LYS  47          1HB       LYS  47  -5.787 -11.357   1.741
  369   2HB   LYS  47          2HB       LYS  47  -6.063  -9.629   1.493
  370   1HG   LYS  47          1HG       LYS  47  -7.183 -10.087  -0.664
  371   2HG   LYS  47          2HG       LYS  47  -6.872 -11.823  -0.471
  372   1HD   LYS  47          1HD       LYS  47  -8.329 -11.892   1.515
  373   2HD   LYS  47          2HD       LYS  47  -8.496 -10.136   1.479
  374   1HE   LYS  47          1HE       LYS  47 -10.514 -11.047   0.584
  375   2HE   LYS  47          2HE       LYS  47  -9.633 -10.267  -0.730
  376   1HZ   LYS  47          3HZ       LYS  47  -9.732 -13.184  -0.217
  377   2HZ   LYS  47          1HZ       LYS  47 -10.548 -12.387  -1.391
  378   3HZ   LYS  47          2HZ       LYS  47  -8.912 -12.465  -1.456
  379    H    ILE  48           H        ILE  48  -4.522  -7.922   0.463
  380    HA   ILE  48           HA       ILE  48  -5.535  -7.124  -2.063
  381    HB   ILE  48           HB       ILE  48  -3.832  -5.649  -0.010
  382   1HG1  ILE  48          1HG1      ILE  48  -6.819  -5.438  -0.647
  383   2HG1  ILE  48          2HG1      ILE  48  -6.173  -6.431   0.650
  384   1HG2  ILE  48          3HG2      ILE  48  -3.562  -4.561  -2.237
  385   2HG2  ILE  48          1HG2      ILE  48  -5.327  -4.479  -2.410
  386   3HG2  ILE  48          2HG2      ILE  48  -4.491  -3.546  -1.153
  387   1HD1  ILE  48          1HD1      ILE  48  -5.192  -4.408   1.724
  388   2HD1  ILE  48          2HD1      ILE  48  -5.984  -3.399   0.490
  389   3HD1  ILE  48          3HD1      ILE  48  -6.963  -4.368   1.593
  390    H    MET  49           H        MET  49  -2.105  -7.267  -0.903
  391    HA   MET  49           HA       MET  49  -1.034  -6.527  -3.479
  392   1HB   MET  49          1HB       MET  49   0.234  -7.739  -1.009
  393   2HB   MET  49          2HB       MET  49   1.130  -7.216  -2.456
  394   1HG   MET  49          1HG       MET  49   0.194  -4.961  -2.287
  395   2HG   MET  49          2HG       MET  49  -0.789  -5.430  -0.901
  396   1HE   MET  49          2HE       MET  49  -0.180  -3.437   0.402
  397   2HE   MET  49          3HE       MET  49   1.474  -2.893   0.749
  398   3HE   MET  49          1HE       MET  49   0.855  -2.833  -0.912
  399    H    ARG  50           H        ARG  50  -2.051  -9.768  -2.321
  400    HA   ARG  50           HA       ARG  50  -0.542 -11.028  -4.471
  401   1HB   ARG  50          1HB       ARG  50  -1.369 -12.346  -2.549
  402   2HB   ARG  50          2HB       ARG  50  -3.030 -11.989  -2.969
  403   1HG   ARG  50          1HG       ARG  50  -2.351 -14.275  -3.684
  404   2HG   ARG  50          2HG       ARG  50  -2.920 -13.274  -5.010
  405   1HD   ARG  50          1HD       ARG  50  -0.451 -12.814  -5.582
  406   2HD   ARG  50          2HD       ARG  50  -0.036 -14.016  -4.366
  407    HE   ARG  50           HE       ARG  50  -0.728 -15.697  -5.765
  408   1HH1  ARG  50          2HH2      ARG  50  -1.748 -12.579  -7.242
  409   2HH1  ARG  50          1HH2      ARG  50  -1.970 -13.257  -8.800
  410   1HH2  ARG  50          2HH1      ARG  50  -1.057 -16.573  -7.881
  411   2HH2  ARG  50          1HH1      ARG  50  -1.597 -15.572  -9.163
  412    H    SER  51           H        SER  51  -3.778  -9.820  -4.006
  413    HA   SER  51           HA       SER  51  -4.901 -10.642  -6.497
  414   1HB   SER  51          1HB       SER  51  -6.024  -9.964  -4.277
  415   2HB   SER  51          2HB       SER  51  -5.830  -8.286  -4.793
  416    HG   SER  51           HG       SER  51  -7.202  -8.698  -6.503
  417    H    PHE  52           H        PHE  52  -3.663  -7.403  -5.438
  418    HA   PHE  52           HA       PHE  52  -3.400  -6.589  -8.295
  419   1HB   PHE  52          1HB       PHE  52  -4.438  -4.800  -6.072
  420   2HB   PHE  52          2HB       PHE  52  -4.528  -4.542  -7.802
  421    HD1  PHE  52           HD2      PHE  52  -5.900  -6.768  -8.981
  422    HD2  PHE  52           HD1      PHE  52  -6.493  -4.983  -5.085
  423    HE1  PHE  52           HE2      PHE  52  -8.245  -7.564  -8.957
  424    HE2  PHE  52           HE1      PHE  52  -8.837  -5.762  -5.092
  425    HZ   PHE  52           HZ       PHE  52  -9.720  -7.052  -7.023
  426    H    LEU  53           H        LEU  53  -1.133  -7.467  -7.321
  427    HA   LEU  53           HA       LEU  53   0.220  -6.019  -5.407
  428   1HB   LEU  53          1HB       LEU  53   0.869  -8.221  -6.644
  429   2HB   LEU  53          2HB       LEU  53   1.675  -7.215  -7.802
  430    HG   LEU  53           HG       LEU  53   2.188  -7.002  -4.798
  431   1HD1  LEU  53          1HD1      LEU  53   2.629  -9.277  -5.517
  432   2HD1  LEU  53          2HD1      LEU  53   3.685  -8.686  -6.825
  433   3HD1  LEU  53          3HD1      LEU  53   4.136  -8.435  -5.123
  434   1HD2  LEU  53          1HD2      LEU  53   3.795  -6.004  -7.182
  435   2HD2  LEU  53          2HD2      LEU  53   3.077  -5.042  -5.862
  436   3HD2  LEU  53          3HD2      LEU  53   4.425  -6.104  -5.528
  437    H    ARG  54           H        ARG  54   1.002  -5.583  -8.911
  438    HA   ARG  54           HA       ARG  54   2.464  -3.219  -8.328
  439   1HB   ARG  54          1HB       ARG  54   2.708  -4.800 -10.316
  440   2HB   ARG  54          2HB       ARG  54   1.396  -3.910 -11.089
  441   1HG   ARG  54          1HG       ARG  54   3.606  -2.222  -9.980
  442   2HG   ARG  54          2HG       ARG  54   4.115  -3.342 -11.229
  443   1HD   ARG  54          1HD       ARG  54   2.483  -2.406 -12.801
  444   2HD   ARG  54          2HD       ARG  54   1.927  -1.255 -11.566
  445    HE   ARG  54           HE       ARG  54   4.552  -0.690 -11.559
  446   1HH1  ARG  54          2HH2      ARG  54   2.488  -1.102 -14.429
  447   2HH1  ARG  54          1HH2      ARG  54   3.461  -0.051 -15.406
  448   1HH2  ARG  54          2HH1      ARG  54   5.742   0.565 -12.762
  449   2HH2  ARG  54          1HH1      ARG  54   5.437   0.990 -14.429
  450    H    ARG  55           H        ARG  55  -0.981  -3.516  -8.426
  451    HA   ARG  55           HA       ARG  55  -1.543  -0.896  -9.484
  452   1HB   ARG  55          1HB       ARG  55  -3.033  -2.913  -7.776
  453   2HB   ARG  55          2HB       ARG  55  -3.638  -1.309  -7.950
  454   1HG   ARG  55          1HG       ARG  55  -3.108  -3.084 -10.356
  455   2HG   ARG  55          2HG       ARG  55  -4.647  -3.078  -9.499
  456   1HD   ARG  55          1HD       ARG  55  -4.984  -0.754  -9.955
  457   2HD   ARG  55          2HD       ARG  55  -3.407  -0.629 -10.788
  458    HE   ARG  55           HE       ARG  55  -4.949  -2.603 -12.072
  459   1HH1  ARG  55          2HH2      ARG  55  -5.068   0.922 -11.480
  460   2HH1  ARG  55          1HH2      ARG  55  -5.955   1.284 -12.899
  461   1HH2  ARG  55          2HH1      ARG  55  -6.160  -2.098 -14.023
  462   2HH2  ARG  55          1HH1      ARG  55  -6.579  -0.471 -14.375
  463    H    ILE  56           H        ILE  56  -0.968  -2.316  -6.146
  464    HA   ILE  56           HA       ILE  56  -1.437   0.185  -4.900
  465    HB   ILE  56           HB       ILE  56   0.385  -1.983  -3.821
  466   1HG1  ILE  56          1HG1      ILE  56  -1.605  -3.144  -4.346
  467   2HG1  ILE  56          2HG1      ILE  56  -1.707  -2.782  -2.636
  468   1HG2  ILE  56          2HG2      ILE  56  -1.253   0.223  -2.485
  469   2HG2  ILE  56          3HG2      ILE  56  -0.454  -1.096  -1.609
  470   3HG2  ILE  56          1HG2      ILE  56   0.510   0.071  -2.518
  471   1HD1  ILE  56          2HD1      ILE  56  -3.247  -0.853  -3.178
  472   2HD1  ILE  56          3HD1      ILE  56  -3.194  -1.338  -4.884
  473   3HD1  ILE  56          1HD1      ILE  56  -3.879  -2.435  -3.693
  474    H    SER  57           H        SER  57   1.466  -1.086  -6.502
  475    HA   SER  57           HA       SER  57   3.122   1.080  -5.606
  476   1HB   SER  57          1HB       SER  57   3.916  -1.192  -6.457
  477   2HB   SER  57          2HB       SER  57   3.412  -0.698  -8.085
  478    HG   SER  57           HG       SER  57   5.429  -0.200  -8.055
  479    H    TRP  58           H        TRP  58   1.287   0.579  -8.749
  480    HA   TRP  58           HA       TRP  58   1.901   3.062  -9.925
  481   1HB   TRP  58          1HB       TRP  58   0.550   1.985 -11.394
  482   2HB   TRP  58          2HB       TRP  58  -0.314   1.122 -10.142
  483    HD1  TRP  58           HD1      TRP  58  -0.376   4.791 -11.481
  484    HE1  TRP  58           HE1      TRP  58  -2.723   5.690 -11.294
  485    HE3  TRP  58           HE3      TRP  58  -2.640   0.903  -9.095
  486    HZ2  TRP  58           HZ2      TRP  58  -5.484   4.446 -11.040
  487    HZ3  TRP  58           HZ3      TRP  58  -4.982   0.908  -8.693
  488    HH2  TRP  58           HH2      TRP  58  -6.483   2.505  -9.689
  489    H    ASP  59           H        ASP  59  -0.605   2.313  -7.564
  490    HA   ASP  59           HA       ASP  59  -1.786   4.835  -7.232
  491   1HB   ASP  59          1HB       ASP  59  -1.430   2.384  -5.509
  492   2HB   ASP  59          2HB       ASP  59  -2.137   3.801  -4.823
  493    HD1  ASP  59           HD2      ASP  59  -5.046   3.498  -7.099
  494    H    ILE  60           H        ILE  60   1.017   3.475  -5.417
  495    HA   ILE  60           HA       ILE  60   1.570   5.845  -3.906
  496    HB   ILE  60           HB       ILE  60   3.161   3.394  -4.728
  497   1HG1  ILE  60          1HG1      ILE  60   1.222   3.170  -3.066
  498   2HG1  ILE  60          2HG1      ILE  60   2.790   2.506  -2.604
  499   1HG2  ILE  60          1HG2      ILE  60   4.114   5.664  -2.965
  500   2HG2  ILE  60          2HG2      ILE  60   4.814   4.029  -2.949
  501   3HG2  ILE  60          3HG2      ILE  60   4.865   4.991  -4.428
  502   1HD1  ILE  60          2HD1      ILE  60   1.661   5.142  -1.664
  503   2HD1  ILE  60          3HD1      ILE  60   1.633   3.591  -0.780
  504   3HD1  ILE  60          1HD1      ILE  60   3.185   4.370  -1.122
  505    H    LEU  61           H        LEU  61   3.070   4.579  -6.914
  506    HA   LEU  61           HA       LEU  61   4.936   6.637  -7.281
  507   1HB   LEU  61          1HB       LEU  61   3.564   4.816  -9.291
  508   2HB   LEU  61          2HB       LEU  61   4.945   5.831  -9.690
  509    HG   LEU  61           HG       LEU  61   5.088   3.746  -7.474
  510   1HD1  LEU  61          3HD1      LEU  61   5.795   3.393 -10.421
  511   2HD1  LEU  61          1HD1      LEU  61   6.122   2.232  -9.116
  512   3HD1  LEU  61          2HD1      LEU  61   4.459   2.597  -9.556
  513   1HD2  LEU  61          2HD2      LEU  61   6.889   5.489  -7.514
  514   2HD2  LEU  61          3HD2      LEU  61   7.471   3.852  -7.809
  515   3HD2  LEU  61          1HD2      LEU  61   7.296   4.990  -9.165
  516    H    THR  62           H        THR  62   1.522   6.566  -8.240
  517    HA   THR  62           HA       THR  62   1.796   9.120  -9.704
  518    HB   THR  62           HB       THR  62  -0.713   8.924  -9.940
  519    HG1  THR  62           HG1      THR  62  -0.225   6.312  -8.928
  520   1HG2  THR  62          1HG2      THR  62   0.860   8.274 -11.701
  521   2HG2  THR  62          2HG2      THR  62   0.992   6.644 -11.017
  522   3HG2  THR  62          3HG2      THR  62  -0.559   7.220 -11.688
  523    H    GLY  63           H        GLY  63   2.249   8.627  -6.648
  524   1HA   GLY  63          1HA       GLY  63   1.870   9.541  -4.656
  525   2HA   GLY  63          2HA       GLY  63   1.852  11.072  -5.548
  526    H    LYS  64           H        LYS  64  -0.503   8.294  -5.485
  527    HA   LYS  64           HA       LYS  64  -2.625  10.345  -5.178
  528   1HB   LYS  64          1HB       LYS  64  -2.702   8.504  -6.827
  529   2HB   LYS  64          2HB       LYS  64  -2.738   7.299  -5.548
  530   1HG   LYS  64          1HG       LYS  64  -4.932   8.390  -4.775
  531   2HG   LYS  64          2HG       LYS  64  -4.849   9.390  -6.235
  532   1HD   LYS  64          1HD       LYS  64  -5.081   6.360  -6.062
  533   2HD   LYS  64          2HD       LYS  64  -6.292   7.486  -6.676
  534   1HE   LYS  64          1HE       LYS  64  -4.791   8.050  -8.591
  535   2HE   LYS  64          2HE       LYS  64  -3.554   6.959  -7.944
  536   1HZ   LYS  64          2HZ       LYS  64  -5.176   5.135  -8.186
  537   2HZ   LYS  64          3HZ       LYS  64  -6.240   6.087  -8.882
  538   3HZ   LYS  64          1HZ       LYS  64  -4.793   5.818  -9.618
  539    H    LYS  65           H        LYS  65  -3.889  10.407  -3.301
  540    HA   LYS  65           HA       LYS  65  -2.444   9.524  -0.896
  541   1HB   LYS  65          1HB       LYS  65  -4.729  11.398  -1.303
  542   2HB   LYS  65          2HB       LYS  65  -4.488  10.719   0.291
  543   1HG   LYS  65          1HG       LYS  65  -3.402  12.908  -0.024
  544   2HG   LYS  65          2HG       LYS  65  -2.305  11.660   0.508
  545   1HD   LYS  65          1HD       LYS  65  -2.436  12.531  -2.396
  546   2HD   LYS  65          2HD       LYS  65  -1.520  13.423  -1.205
  547   1HE   LYS  65          1HE       LYS  65  -0.975  10.541  -2.032
  548   2HE   LYS  65          2HE       LYS  65  -0.088  11.973  -2.516
  549   1HZ   LYS  65          3HZ       LYS  65   0.455  12.235  -0.077
  550   2HZ   LYS  65          1HZ       LYS  65  -0.119  10.687   0.144
  551   3HZ   LYS  65          2HZ       LYS  65   1.110  10.930  -0.832
  552    HA   PRO  66           HA       PRO  66  -4.056   5.770   0.163
  553   1HB   PRO  66          1HB       PRO  66  -4.842   6.002   2.860
  554   2HB   PRO  66          2HB       PRO  66  -3.184   5.747   2.268
  555   1HG   PRO  66          1HG       PRO  66  -4.543   8.375   2.934
  556   2HG   PRO  66          2HG       PRO  66  -2.899   7.828   3.387
  557   1HD   PRO  66          1HD       PRO  66  -3.106   9.456   1.364
  558   2HD   PRO  66          2HD       PRO  66  -2.125   7.979   1.133
  559    H    GLN  67           H        GLN  67  -6.339   8.132   1.671
  560    HA   GLN  67           HA       GLN  67  -8.544   6.385   1.776
  561   1HB   GLN  67          1HB       GLN  67  -8.259   8.630   2.882
  562   2HB   GLN  67          2HB       GLN  67  -8.598   9.414   1.344
  563   1HG   GLN  67          1HG       GLN  67 -10.519   7.506   2.764
  564   2HG   GLN  67          2HG       GLN  67 -10.505   9.243   3.036
  565   1HE2  GLN  67          2HE2      GLN  67 -11.872   9.946  -0.279
  566   2HE2  GLN  67          1HE2      GLN  67 -10.621  10.605   0.759
  567    H    ALA  68           H        ALA  68  -7.349   8.449  -0.882
  568    HA   ALA  68           HA       ALA  68  -9.648   7.830  -2.591
  569   1HB   ALA  68          1HB       ALA  68  -8.458  10.015  -2.762
  570   2HB   ALA  68          2HB       ALA  68  -6.954   9.168  -3.211
  571   3HB   ALA  68          3HB       ALA  68  -8.367   9.108  -4.283
  572    H    ILE  69           H        ILE  69  -6.198   6.635  -2.302
  573    HA   ILE  69           HA       ILE  69  -6.240   4.947  -4.583
  574    HB   ILE  69           HB       ILE  69  -4.927   4.653  -1.840
  575   1HG1  ILE  69          1HG1      ILE  69  -3.671   5.206  -4.545
  576   2HG1  ILE  69          2HG1      ILE  69  -4.178   6.475  -3.485
  577   1HG2  ILE  69          1HG2      ILE  69  -4.780   2.779  -4.220
  578   2HG2  ILE  69          2HG2      ILE  69  -3.505   2.808  -2.990
  579   3HG2  ILE  69          3HG2      ILE  69  -5.144   2.381  -2.546
  580   1HD1  ILE  69          3HD1      ILE  69  -2.190   4.380  -2.500
  581   2HD1  ILE  69          1HD1      ILE  69  -1.716   5.855  -3.324
  582   3HD1  ILE  69          2HD1      ILE  69  -2.609   5.945  -1.791
  583    H    CYS  70           H        CYS  70  -7.345   4.309  -1.254
  584    HA   CYS  70           HA       CYS  70  -8.296   1.663  -1.870
  585   1HB   CYS  70          1HB       CYS  70  -9.038   3.631   0.323
  586   2HB   CYS  70          2HB       CYS  70  -9.399   1.884   0.325
  587    H    VAL  71           H        VAL  71 -10.154   4.894  -2.101
  588    HA   VAL  71           HA       VAL  71 -12.448   3.251  -2.799
  589    HB   VAL  71           HB       VAL  71 -12.134   6.206  -3.413
  590   1HG1  VAL  71          2HG1      VAL  71 -14.555   4.277  -3.189
  591   2HG1  VAL  71          3HG1      VAL  71 -14.692   6.045  -3.374
  592   3HG1  VAL  71          1HG1      VAL  71 -13.999   5.075  -4.671
  593   1HG2  VAL  71          1HG2      VAL  71 -11.972   5.799  -0.972
  594   2HG2  VAL  71          2HG2      VAL  71 -13.483   6.578  -1.397
  595   3HG2  VAL  71          3HG2      VAL  71 -13.462   4.856  -1.047
  596    H    ASP  72           H        ASP  72  -9.805   4.763  -4.649
  597    HA   ASP  72           HA       ASP  72 -10.581   4.584  -7.289
  598   1HB   ASP  72          1HB       ASP  72  -8.713   5.799  -6.592
  599   2HB   ASP  72          2HB       ASP  72  -7.986   4.447  -5.780
  600    H    ILE  73           H        ILE  73  -8.745   1.999  -5.519
  601    HA   ILE  73           HA       ILE  73  -9.611   0.122  -7.677
  602    HB   ILE  73           HB       ILE  73  -8.114  -1.476  -6.791
  603   1HG1  ILE  73          1HG1      ILE  73  -8.170   0.256  -4.388
  604   2HG1  ILE  73          2HG1      ILE  73  -7.867  -1.463  -4.563
  605   1HG2  ILE  73          3HG2      ILE  73  -7.357   0.097  -8.443
  606   2HG2  ILE  73          1HG2      ILE  73  -6.690   1.133  -7.162
  607   3HG2  ILE  73          2HG2      ILE  73  -6.066  -0.520  -7.413
  608   1HD1  ILE  73          2HD1      ILE  73  -5.534  -0.963  -5.222
  609   2HD1  ILE  73          3HD1      ILE  73  -5.872   0.777  -5.008
  610   3HD1  ILE  73          1HD1      ILE  73  -5.949  -0.314  -3.612
  611    H    LYS  74           H        LYS  74 -11.126   1.331  -5.206
  612    HA   LYS  74           HA       LYS  74 -12.755   1.056  -3.920
  613   1HB   LYS  74          1HB       LYS  74 -13.454   0.684  -6.243
  614   2HB   LYS  74          2HB       LYS  74 -13.469  -1.053  -5.947
  615   1HG   LYS  74          1HG       LYS  74 -15.047   1.000  -4.356
  616   2HG   LYS  74          2HG       LYS  74 -15.558   0.265  -5.838
  617   1HD   LYS  74          1HD       LYS  74 -15.088  -1.095  -3.163
  618   2HD   LYS  74          2HD       LYS  74 -16.654  -0.747  -3.861
  619   1HE   LYS  74          1HE       LYS  74 -16.712  -2.697  -4.926
  620   2HE   LYS  74          2HE       LYS  74 -15.199  -2.329  -5.779
  621   1HZ   LYS  74          3HZ       LYS  74 -15.321  -3.402  -3.023
  622   2HZ   LYS  74          1HZ       LYS  74 -15.066  -4.353  -4.362
  623   3HZ   LYS  74          2HZ       LYS  74 -13.991  -3.174  -3.884
  624    H    ILE  75           H        ILE  75 -11.603   0.547  -2.303
  625    HA   ILE  75           HA       ILE  75 -12.156  -1.894  -0.751
  626    HB   ILE  75           HB       ILE  75  -9.520  -0.354  -0.832
  627   1HG1  ILE  75          1HG1      ILE  75 -10.148  -3.109  -1.993
  628   2HG1  ILE  75          2HG1      ILE  75  -9.748  -1.652  -2.910
  629   1HG2  ILE  75          2HG2      ILE  75 -10.006  -1.335   1.368
  630   2HG2  ILE  75          3HG2      ILE  75 -10.295  -2.921   0.611
  631   3HG2  ILE  75          1HG2      ILE  75  -8.679  -2.188   0.627
  632   1HD1  ILE  75          2HD1      ILE  75  -7.517  -1.576  -1.786
  633   2HD1  ILE  75          3HD1      ILE  75  -7.874  -3.187  -1.105
  634   3HD1  ILE  75          1HD1      ILE  75  -7.791  -2.977  -2.851
  635    H    CYS  76           H        CYS  76 -12.084   1.606  -1.111
  636    HA   CYS  76           HA       CYS  76 -12.901   1.895   1.700
  637   1HB   CYS  76          1HB       CYS  76 -10.776   3.036   1.455
  638   2HB   CYS  76          2HB       CYS  76 -11.432   3.997   0.131
  639    H    LYS  77           H        LYS  77 -14.254   3.981   1.869
  640    HA   LYS  77           HA       LYS  77 -16.387   4.635   1.741
  641   1HB   LYS  77          1HB       LYS  77 -15.388   6.074   0.011
  642   2HB   LYS  77          2HB       LYS  77 -15.815   4.899  -1.235
  643   1HG   LYS  77          1HG       LYS  77 -18.114   5.696   0.456
  644   2HG   LYS  77          2HG       LYS  77 -17.353   7.074  -0.309
  645   1HD   LYS  77          1HD       LYS  77 -17.941   6.477  -2.435
  646   2HD   LYS  77          2HD       LYS  77 -17.896   4.741  -2.131
  647   1HE   LYS  77          1HE       LYS  77 -20.015   6.502  -0.855
  648   2HE   LYS  77          2HE       LYS  77 -20.216   5.884  -2.502
  649   1HZ   LYS  77          2HZ       LYS  77 -19.590   4.057  -0.282
  650   2HZ   LYS  77          3HZ       LYS  77 -21.160   4.467  -0.635
  651   3HZ   LYS  77          1HZ       LYS  77 -20.195   3.687  -1.725
  652    H    GLU  78           H        GLU  78 -15.683   1.818   1.605
  653    HA   GLU  78           HA       GLU  78 -17.855   0.690   0.136
  654   1HB   GLU  78          1HB       GLU  78 -15.604  -0.546   1.827
  655   2HB   GLU  78          2HB       GLU  78 -16.926  -1.493   1.152
  656   1HG   GLU  78          1HG       GLU  78 -16.237  -0.567  -1.146
  657   2HG   GLU  78          2HG       GLU  78 -14.741  -0.062  -0.365
   
  No H/Q in entry =         657
  Start of MODEL   16
    1   1H    GLY   1          3H        GLY   1 -16.821   0.468   4.371
    2   2H    GLY   1          1H        GLY   1 -15.954  -0.413   3.311
    3   3H    GLY   1          2H        GLY   1 -17.584  -0.601   3.369
    4   1HA   GLY   1          1HA       GLY   1 -17.482  -1.524   5.588
    5   2HA   GLY   1          2HA       GLY   1 -16.466  -2.448   4.459
    6    H    TYR   2           H        TYR   2 -15.713  -2.837   7.028
    7    HA   TYR   2           HA       TYR   2 -13.802  -1.262   8.272
    8   1HB   TYR   2          1HB       TYR   2 -14.495  -3.409   9.147
    9   2HB   TYR   2          2HB       TYR   2 -13.918  -4.251   7.719
   10    HD1  TYR   2           HD2      TYR   2 -12.681  -2.200  10.634
   11    HD2  TYR   2           HD1      TYR   2 -11.758  -5.267   7.732
   12    HE1  TYR   2           HE2      TYR   2 -10.606  -2.704  11.833
   13    HE2  TYR   2           HE1      TYR   2  -9.664  -5.778   8.949
   14    HH   TYR   2           HH       TYR   2  -8.933  -4.339  12.097
   15    H    PHE   3           H        PHE   3 -13.489  -3.205   5.337
   16    HA   PHE   3           HA       PHE   3 -10.879  -3.108   4.667
   17   1HB   PHE   3          1HB       PHE   3 -13.399  -2.728   3.026
   18   2HB   PHE   3          2HB       PHE   3 -11.821  -2.702   2.287
   19    HD1  PHE   3           HD1      PHE   3 -10.202  -4.618   2.644
   20    HD2  PHE   3           HD2      PHE   3 -14.454  -4.903   3.340
   21    HE1  PHE   3           HE1      PHE   3 -10.086  -7.082   2.379
   22    HE2  PHE   3           HE2      PHE   3 -14.321  -7.364   3.087
   23    HZ   PHE   3           HZ       PHE   3 -12.151  -8.452   2.604
   24    H    CYS   4           H        CYS   4 -13.032  -0.176   4.471
   25    HA   CYS   4           HA       CYS   4 -11.181   1.307   2.881
   26   1HB   CYS   4          1HB       CYS   4 -13.638   1.941   3.406
   27   2HB   CYS   4          2HB       CYS   4 -13.044   2.553   4.943
   28    H    GLU   5           H        GLU   5 -11.676   1.167   6.428
   29    HA   GLU   5           HA       GLU   5  -9.693   3.067   7.181
   30   1HB   GLU   5          1HB       GLU   5 -11.496   2.374   8.652
   31   2HB   GLU   5          2HB       GLU   5 -11.005   0.692   8.604
   32   1HG   GLU   5          1HG       GLU   5  -9.328   2.937   9.795
   33   2HG   GLU   5          2HG       GLU   5 -10.443   1.929  10.720
   34    H    SER   6           H        SER   6  -9.608  -0.541   7.220
   35    HA   SER   6           HA       SER   6  -6.859  -0.556   7.821
   36   1HB   SER   6          1HB       SER   6  -8.788  -2.666   6.888
   37   2HB   SER   6          2HB       SER   6  -7.051  -3.026   7.050
   38    HG   SER   6           HG       SER   6  -8.570  -1.731   9.110
   39    H    CYS   7           H        CYS   7  -8.406  -0.605   4.588
   40    HA   CYS   7           HA       CYS   7  -6.047  -1.081   3.045
   41   1HB   CYS   7          1HB       CYS   7  -8.217  -1.184   2.041
   42   2HB   CYS   7          2HB       CYS   7  -8.609   0.458   2.532
   43    H    ARG   8           H        ARG   8  -7.601   1.969   4.253
   44    HA   ARG   8           HA       ARG   8  -5.669   3.707   3.188
   45   1HB   ARG   8          1HB       ARG   8  -7.890   4.444   4.137
   46   2HB   ARG   8          2HB       ARG   8  -7.277   4.096   5.759
   47   1HG   ARG   8          1HG       ARG   8  -5.326   5.733   5.105
   48   2HG   ARG   8          2HG       ARG   8  -6.415   6.265   3.824
   49   1HD   ARG   8          1HD       ARG   8  -8.061   6.978   5.471
   50   2HD   ARG   8          2HD       ARG   8  -7.141   6.229   6.777
   51    HE   ARG   8           HE       ARG   8  -5.228   7.805   6.045
   52   1HH1  ARG   8          2HH2      ARG   8  -8.627   8.947   5.947
   53   2HH1  ARG   8          1HH2      ARG   8  -8.212  10.474   6.623
   54   1HH2  ARG   8          2HH1      ARG   8  -4.700   9.767   6.659
   55   2HH2  ARG   8          1HH1      ARG   8  -5.864  11.018   6.973
   56    H    LYS   9           H        LYS   9  -5.865   2.297   6.481
   57    HA   LYS   9           HA       LYS   9  -3.495   3.302   7.584
   58   1HB   LYS   9          1HB       LYS   9  -5.252   2.230   8.847
   59   2HB   LYS   9          2HB       LYS   9  -5.052   0.731   7.950
   60   1HG   LYS   9          1HG       LYS   9  -2.861   0.332   9.018
   61   2HG   LYS   9          2HG       LYS   9  -2.987   1.892   9.854
   62   1HD   LYS   9          1HD       LYS   9  -3.641   0.148  11.411
   63   2HD   LYS   9          2HD       LYS   9  -5.061   1.099  10.982
   64   1HE   LYS   9          1HE       LYS   9  -5.215  -0.861   9.077
   65   2HE   LYS   9          2HE       LYS   9  -4.374  -1.762  10.337
   66   1HZ   LYS   9          1HZ       LYS   9  -6.926  -0.295  10.645
   67   2HZ   LYS   9          2HZ       LYS   9  -6.869  -1.872  10.376
   68   3HZ   LYS   9          3HZ       LYS   9  -6.273  -1.240  11.804
   69    H    ILE  10           H        ILE  10  -3.955   0.370   5.592
   70    HA   ILE  10           HA       ILE  10  -1.310  -0.650   5.817
   71    HB   ILE  10           HB       ILE  10  -3.617  -1.053   3.893
   72   1HG1  ILE  10          1HG1      ILE  10  -2.098  -3.024   5.650
   73   2HG1  ILE  10          2HG1      ILE  10  -3.405  -2.049   6.280
   74   1HG2  ILE  10          2HG2      ILE  10  -0.823  -2.179   3.603
   75   2HG2  ILE  10          3HG2      ILE  10  -2.248  -2.938   2.853
   76   3HG2  ILE  10          1HG2      ILE  10  -1.771  -1.314   2.385
   77   1HD1  ILE  10          3HD1      ILE  10  -3.741  -4.013   3.970
   78   2HD1  ILE  10          1HD1      ILE  10  -4.190  -4.311   5.641
   79   3HD1  ILE  10          2HD1      ILE  10  -5.015  -3.044   4.721
   80    H    ILE  11           H        ILE  11  -2.727   1.376   3.096
   81    HA   ILE  11           HA       ILE  11  -0.072   1.729   2.087
   82    HB   ILE  11           HB       ILE  11  -2.636   3.174   1.458
   83   1HG1  ILE  11          1HG1      ILE  11  -1.839   2.201  -0.888
   84   2HG1  ILE  11          2HG1      ILE  11  -0.904   1.091   0.097
   85   1HG2  ILE  11          1HG2      ILE  11   0.220   3.696   0.505
   86   2HG2  ILE  11          2HG2      ILE  11  -1.157   4.284  -0.399
   87   3HG2  ILE  11          3HG2      ILE  11  -0.883   4.878   1.221
   88   1HD1  ILE  11          3HD1      ILE  11  -3.930   1.498   0.169
   89   2HD1  ILE  11          1HD1      ILE  11  -3.074   0.158  -0.610
   90   3HD1  ILE  11          2HD1      ILE  11  -3.031   0.309   1.150
   91    H    GLN  12           H        GLN  12  -1.925   3.727   4.487
   92    HA   GLN  12           HA       GLN  12  -0.258   5.962   4.370
   93   1HB   GLN  12          1HB       GLN  12  -1.573   4.716   6.807
   94   2HB   GLN  12          2HB       GLN  12  -0.745   6.267   6.870
   95   1HG   GLN  12          1HG       GLN  12  -2.925   5.880   4.826
   96   2HG   GLN  12          2HG       GLN  12  -3.347   6.080   6.511
   97   1HE2  GLN  12          2HE2      GLN  12  -1.458   9.392   4.885
   98   2HE2  GLN  12          1HE2      GLN  12  -0.896   7.899   4.270
   99    H    LYS  13           H        LYS  13   0.407   2.994   6.378
  100    HA   LYS  13           HA       LYS  13   2.963   4.142   7.168
  101   1HB   LYS  13          1HB       LYS  13   1.764   2.572   8.612
  102   2HB   LYS  13          2HB       LYS  13   1.979   1.292   7.420
  103   1HG   LYS  13          1HG       LYS  13   3.540   1.215   9.400
  104   2HG   LYS  13          2HG       LYS  13   4.317   1.160   7.828
  105   1HD   LYS  13          1HD       LYS  13   5.598   2.499   9.403
  106   2HD   LYS  13          2HD       LYS  13   5.049   3.472   8.050
  107   1HE   LYS  13          1HE       LYS  13   3.308   4.483   9.357
  108   2HE   LYS  13          2HE       LYS  13   3.736   3.500  10.781
  109   1HZ   LYS  13          1HZ       LYS  13   5.794   5.134   9.479
  110   2HZ   LYS  13          2HZ       LYS  13   4.747   5.962  10.224
  111   3HZ   LYS  13          3HZ       LYS  13   5.641   4.845  11.100
  112    H    LEU  14           H        LEU  14   1.894   2.280   4.377
  113    HA   LEU  14           HA       LEU  14   4.502   1.416   3.484
  114   1HB   LEU  14          1HB       LEU  14   2.059   0.823   2.625
  115   2HB   LEU  14          2HB       LEU  14   2.233   2.270   1.666
  116    HG   LEU  14           HG       LEU  14   3.800  -0.282   1.489
  117   1HD1  LEU  14          1HD1      LEU  14   2.005   1.305  -0.387
  118   2HD1  LEU  14          2HD1      LEU  14   2.841  -0.162  -0.851
  119   3HD1  LEU  14          3HD1      LEU  14   1.615  -0.226   0.429
  120   1HD2  LEU  14          2HD2      LEU  14   4.498   2.279   0.022
  121   2HD2  LEU  14          3HD2      LEU  14   5.522   1.376   1.160
  122   3HD2  LEU  14          1HD2      LEU  14   5.099   0.655  -0.385
  123    H    GLU  15           H        GLU  15   2.478   4.220   2.741
  124    HA   GLU  15           HA       GLU  15   4.049   5.678   0.963
  125   1HB   GLU  15          1HB       GLU  15   1.568   5.710   1.457
  126   2HB   GLU  15          2HB       GLU  15   1.909   6.474   3.002
  127   1HG   GLU  15          1HG       GLU  15   2.730   8.484   1.729
  128   2HG   GLU  15          2HG       GLU  15   2.261   7.658   0.235
  129    H    ASP  16           H        ASP  16   3.600   6.071   4.481
  130    HA   ASP  16           HA       ASP  16   5.502   8.058   5.051
  131   1HB   ASP  16          1HB       ASP  16   3.857   7.402   6.656
  132   2HB   ASP  16          2HB       ASP  16   4.235   5.699   6.460
  133    H    MET  17           H        MET  17   6.043   4.510   4.788
  134    HA   MET  17           HA       MET  17   8.820   4.878   5.624
  135   1HB   MET  17          1HB       MET  17   7.295   2.427   4.680
  136   2HB   MET  17          2HB       MET  17   9.032   2.424   5.053
  137   1HG   MET  17          1HG       MET  17   8.486   3.414   7.310
  138   2HG   MET  17          2HG       MET  17   6.796   3.159   6.947
  139   1HE   MET  17          1HE       MET  17   6.002   0.612   6.131
  140   2HE   MET  17          2HE       MET  17   7.508   0.092   5.340
  141   3HE   MET  17          3HE       MET  17   6.824  -0.880   6.660
  142    H    VAL  18           H        VAL  18   7.174   4.200   2.469
  143    HA   VAL  18           HA       VAL  18   9.694   3.819   1.115
  144    HB   VAL  18           HB       VAL  18   7.308   3.074   0.429
  145   1HG1  VAL  18          1HG1      VAL  18   6.259   5.317   0.407
  146   2HG1  VAL  18          2HG1      VAL  18   7.252   5.736  -0.996
  147   3HG1  VAL  18          3HG1      VAL  18   6.078   4.416  -1.113
  148   1HG2  VAL  18          2HG2      VAL  18   9.410   4.029  -1.488
  149   2HG2  VAL  18          3HG2      VAL  18   9.085   2.407  -0.857
  150   3HG2  VAL  18          1HG2      VAL  18   7.957   3.129  -2.006
  151    H    GLY  19           H        GLY  19   7.648   6.625   1.920
  152   1HA   GLY  19          1HA       GLY  19   8.294   8.744   2.276
  153   2HA   GLY  19          2HA       GLY  19   9.932   8.358   1.712
  154    HA   PRO  20           HA       PRO  20   7.822  10.838  -1.634
  155   1HB   PRO  20          1HB       PRO  20   9.634  12.836  -1.939
  156   2HB   PRO  20          2HB       PRO  20   8.464  12.850  -0.582
  157   1HG   PRO  20          1HG       PRO  20  11.346  11.891  -0.548
  158   2HG   PRO  20          2HG       PRO  20  10.540  13.007   0.603
  159   1HD   PRO  20          1HD       PRO  20  10.815  10.301   1.026
  160   2HD   PRO  20          2HD       PRO  20   9.404  11.244   1.650
  161    H    GLN  21           H        GLN  21   8.704  11.329  -3.657
  162    HA   GLN  21           HA       GLN  21   9.141  10.207  -5.649
  163   1HB   GLN  21          1HB       GLN  21  11.950  10.981  -4.784
  164   2HB   GLN  21          2HB       GLN  21  11.317  10.859  -6.428
  165   1HG   GLN  21          1HG       GLN  21  10.720  12.957  -4.324
  166   2HG   GLN  21          2HG       GLN  21  11.410  13.184  -5.924
  167   1HE2  GLN  21          2HE2      GLN  21   8.187  13.189  -7.547
  168   2HE2  GLN  21          1HE2      GLN  21   9.907  12.964  -7.832
  169    HA   PRO  22           HA       PRO  22  10.784   6.137  -4.044
  170   1HB   PRO  22          1HB       PRO  22   8.594   4.601  -4.012
  171   2HB   PRO  22          2HB       PRO  22   8.918   5.811  -2.722
  172   1HG   PRO  22          1HG       PRO  22   7.165   6.160  -5.167
  173   2HG   PRO  22          2HG       PRO  22   6.742   6.432  -3.433
  174   1HD   PRO  22          1HD       PRO  22   7.589   8.467  -5.062
  175   2HD   PRO  22          2HD       PRO  22   7.985   8.389  -3.317
  176    H    ASN  23           H        ASN  23  10.440   3.916  -5.374
  177    HA   ASN  23           HA       ASN  23   9.588   4.325  -8.147
  178   1HB   ASN  23          1HB       ASN  23  11.555   3.383  -9.123
  179   2HB   ASN  23          2HB       ASN  23  12.080   4.733  -8.117
  180   1HD2  ASN  23          2HD2      ASN  23  13.794   2.629  -5.793
  181   2HD2  ASN  23          1HD2      ASN  23  13.452   4.266  -6.299
  182    H    GLU  24           H        GLU  24   9.356   2.200  -9.203
  183    HA   GLU  24           HA       GLU  24   7.535   0.567  -8.052
  184   1HB   GLU  24          1HB       GLU  24   8.143   0.815 -10.454
  185   2HB   GLU  24          2HB       GLU  24   9.601  -0.108 -10.164
  186   1HG   GLU  24          1HG       GLU  24   8.306  -1.770 -11.020
  187   2HG   GLU  24          2HG       GLU  24   7.857  -1.992  -9.340
  188    H    ASP  25           H        ASP  25  11.122  -0.032  -7.829
  189    HA   ASP  25           HA       ASP  25  10.774  -2.677  -6.641
  190   1HB   ASP  25          1HB       ASP  25  12.915  -2.280  -7.652
  191   2HB   ASP  25          2HB       ASP  25  13.157  -0.791  -6.721
  192    H    THR  26           H        THR  26  11.663   0.584  -5.431
  193    HA   THR  26           HA       THR  26  11.823  -0.196  -2.755
  194    HB   THR  26           HB       THR  26  11.089   2.595  -3.754
  195    HG1  THR  26           HG1      THR  26  13.432   1.000  -3.855
  196   1HG2  THR  26          3HG2      THR  26  11.227   2.246  -1.234
  197   2HG2  THR  26          1HG2      THR  26  12.880   1.663  -1.442
  198   3HG2  THR  26          2HG2      THR  26  12.466   3.338  -1.866
  199    H    VAL  27           H        VAL  27   8.959   0.763  -4.654
  200    HA   VAL  27           HA       VAL  27   7.191   0.750  -2.350
  201    HB   VAL  27           HB       VAL  27   6.343   0.116  -5.210
  202   1HG1  VAL  27          2HG1      VAL  27   4.893   1.237  -2.758
  203   2HG1  VAL  27          3HG1      VAL  27   4.174   1.059  -4.361
  204   3HG1  VAL  27          1HG1      VAL  27   4.661  -0.377  -3.471
  205   1HG2  VAL  27          3HG2      VAL  27   6.704   2.836  -3.894
  206   2HG2  VAL  27          1HG2      VAL  27   7.399   2.262  -5.409
  207   3HG2  VAL  27          2HG2      VAL  27   5.684   2.554  -5.334
  208    H    THR  28           H        THR  28   8.239  -1.774  -4.721
  209    HA   THR  28           HA       THR  28   6.517  -3.827  -3.827
  210    HB   THR  28           HB       THR  28   9.207  -3.868  -5.254
  211    HG1  THR  28           HG1      THR  28   7.748  -2.960  -6.517
  212   1HG2  THR  28          2HG2      THR  28   7.238  -6.159  -4.884
  213   2HG2  THR  28          3HG2      THR  28   8.608  -6.124  -6.018
  214   3HG2  THR  28          1HG2      THR  28   8.909  -6.079  -4.279
  215    H    GLN  29           H        GLN  29   9.901  -3.032  -2.773
  216    HA   GLN  29           HA       GLN  29   9.853  -5.109  -0.753
  217   1HB   GLN  29          1HB       GLN  29  11.813  -3.950   0.222
  218   2HB   GLN  29          2HB       GLN  29  11.983  -4.512  -1.438
  219   1HG   GLN  29          1HG       GLN  29  11.881  -2.316  -2.315
  220   2HG   GLN  29          2HG       GLN  29  11.432  -1.614  -0.745
  221   1HE2  GLN  29          2HE2      GLN  29  15.326  -2.010  -1.636
  222   2HE2  GLN  29          1HE2      GLN  29  14.086  -2.181  -2.859
  223    H    ALA  30           H        ALA  30   9.405  -1.501  -0.484
  224    HA   ALA  30           HA       ALA  30   8.959  -1.465   2.279
  225   1HB   ALA  30          3HB       ALA  30   9.344   0.562   0.935
  226   2HB   ALA  30          1HB       ALA  30   7.740   0.376   0.184
  227   3HB   ALA  30          2HB       ALA  30   7.880   0.705   1.923
  228    H    ALA  31           H        ALA  31   6.628  -2.182  -0.302
  229    HA   ALA  31           HA       ALA  31   4.343  -2.339   1.509
  230   1HB   ALA  31          1HB       ALA  31   4.246  -1.733  -0.985
  231   2HB   ALA  31          2HB       ALA  31   4.594  -3.417  -1.354
  232   3HB   ALA  31          3HB       ALA  31   3.101  -2.999  -0.483
  233    H    SER  32           H        SER  32   6.379  -4.842  -0.231
  234    HA   SER  32           HA       SER  32   4.785  -7.011   0.810
  235   1HB   SER  32          1HB       SER  32   6.684  -8.467   0.263
  236   2HB   SER  32          2HB       SER  32   6.236  -7.404  -1.081
  237    HG   SER  32           HG       SER  32   8.006  -6.169  -0.722
  238    H    GLN  33           H        GLN  33   7.380  -5.073   2.161
  239    HA   GLN  33           HA       GLN  33   7.381  -6.521   4.699
  240   1HB   GLN  33          1HB       GLN  33   8.829  -4.060   3.657
  241   2HB   GLN  33          2HB       GLN  33   8.819  -4.483   5.361
  242   1HG   GLN  33          1HG       GLN  33  10.834  -5.335   4.398
  243   2HG   GLN  33          2HG       GLN  33   9.820  -6.686   4.890
  244   1HE2  GLN  33          2HE2      GLN  33   9.275  -7.695   1.460
  245   2HE2  GLN  33          1HE2      GLN  33   8.706  -7.950   3.122
  246    H    VAL  34           H        VAL  34   5.744  -3.537   3.385
  247    HA   VAL  34           HA       VAL  34   5.093  -2.345   5.741
  248    HB   VAL  34           HB       VAL  34   4.376  -1.519   3.441
  249   1HG1  VAL  34          2HG1      VAL  34   2.621  -3.324   2.836
  250   2HG1  VAL  34          3HG1      VAL  34   1.648  -2.581   4.099
  251   3HG1  VAL  34          1HG1      VAL  34   2.156  -1.642   2.697
  252   1HG2  VAL  34          1HG2      VAL  34   2.774  -1.177   5.920
  253   2HG2  VAL  34          2HG2      VAL  34   4.151  -0.214   5.288
  254   3HG2  VAL  34          3HG2      VAL  34   2.583  -0.191   4.469
  255    H    CYS  35           H        CYS  35   3.451  -4.935   4.043
  256    HA   CYS  35           HA       CYS  35   1.361  -5.460   5.899
  257   1HB   CYS  35          1HB       CYS  35   2.826  -7.341   3.972
  258   2HB   CYS  35          2HB       CYS  35   1.209  -7.588   4.643
  259    H    ASP  36           H        ASP  36   4.575  -6.992   5.367
  260    HA   ASP  36           HA       ASP  36   4.229  -9.092   7.210
  261   1HB   ASP  36          1HB       ASP  36   6.001  -8.731   5.366
  262   2HB   ASP  36          2HB       ASP  36   6.891  -7.803   6.586
  263    H    LYS  37           H        LYS  37   5.450  -5.810   7.627
  264    HA   LYS  37           HA       LYS  37   6.407  -6.015  10.298
  265   1HB   LYS  37          1HB       LYS  37   7.082  -4.548   8.348
  266   2HB   LYS  37          2HB       LYS  37   5.654  -3.554   8.642
  267   1HG   LYS  37          1HG       LYS  37   6.682  -2.914  10.854
  268   2HG   LYS  37          2HG       LYS  37   8.058  -3.972  10.465
  269   1HD   LYS  37          1HD       LYS  37   8.143  -2.566   8.207
  270   2HD   LYS  37          2HD       LYS  37   7.214  -1.376   9.130
  271   1HE   LYS  37          1HE       LYS  37   9.048  -1.273  10.807
  272   2HE   LYS  37          2HE       LYS  37   9.897  -2.560   9.932
  273   1HZ   LYS  37          3HZ       LYS  37   9.356   0.106   8.787
  274   2HZ   LYS  37          1HZ       LYS  37  10.792  -0.371   9.422
  275   3HZ   LYS  37          2HZ       LYS  37  10.204  -1.097   8.078
  276    H    LEU  38           H        LEU  38   3.320  -4.466   8.979
  277    HA   LEU  38           HA       LEU  38   2.358  -3.968  11.646
  278   1HB   LEU  38          1HB       LEU  38   1.014  -4.046   8.902
  279   2HB   LEU  38          2HB       LEU  38   0.127  -3.812  10.404
  280    HG   LEU  38           HG       LEU  38   2.102  -1.992  10.773
  281   1HD1  LEU  38          3HD1      LEU  38   1.642  -1.998   7.795
  282   2HD1  LEU  38          1HD1      LEU  38   2.273  -0.614   8.703
  283   3HD1  LEU  38          2HD1      LEU  38   3.184  -2.114   8.691
  284   1HD2  LEU  38          1HD2      LEU  38  -0.356  -1.567  11.000
  285   2HD2  LEU  38          2HD2      LEU  38   0.444  -0.250  10.134
  286   3HD2  LEU  38          3HD2      LEU  38  -0.486  -1.456   9.224
  287    H    LYS  39           H        LYS  39   2.465  -5.801  12.878
  288    HA   LYS  39           HA       LYS  39   1.449  -8.317  11.892
  289   1HB   LYS  39          1HB       LYS  39   1.848  -9.242  14.075
  290   2HB   LYS  39          2HB       LYS  39   3.235  -8.318  13.549
  291   1HG   LYS  39          1HG       LYS  39   1.182  -7.191  15.511
  292   2HG   LYS  39          2HG       LYS  39   2.516  -8.226  16.007
  293   1HD   LYS  39          1HD       LYS  39   4.124  -6.550  14.943
  294   2HD   LYS  39          2HD       LYS  39   2.735  -5.484  14.727
  295   1HE   LYS  39          1HE       LYS  39   3.795  -4.776  16.724
  296   2HE   LYS  39          2HE       LYS  39   2.302  -5.585  17.201
  297   1HZ   LYS  39          1HZ       LYS  39   5.019  -6.770  17.312
  298   2HZ   LYS  39          2HZ       LYS  39   4.160  -6.222  18.592
  299   3HZ   LYS  39          3HZ       LYS  39   3.635  -7.538  17.770
  300    H    ILE  40           H        ILE  40  -0.324  -9.547  13.088
  301    HA   ILE  40           HA       ILE  40  -2.490  -9.880  13.572
  302    HB   ILE  40           HB       ILE  40  -2.726  -6.931  14.328
  303   1HG1  ILE  40          1HG1      ILE  40  -1.251  -8.070  15.879
  304   2HG1  ILE  40          2HG1      ILE  40  -2.785  -7.683  16.637
  305   1HG2  ILE  40          2HG2      ILE  40  -4.768  -9.153  14.589
  306   2HG2  ILE  40          3HG2      ILE  40  -4.872  -7.558  15.365
  307   3HG2  ILE  40          1HG2      ILE  40  -4.885  -7.681  13.613
  308   1HD1  ILE  40          2HD1      ILE  40  -3.509 -10.065  16.376
  309   2HD1  ILE  40          3HD1      ILE  40  -1.919 -10.446  15.668
  310   3HD1  ILE  40          1HD1      ILE  40  -2.037  -9.886  17.342
  311    H    LEU  41           H        LEU  41  -2.231  -6.642  12.064
  312    HA   LEU  41           HA       LEU  41  -4.334  -7.315  10.178
  313   1HB   LEU  41          1HB       LEU  41  -3.884  -5.161  11.478
  314   2HB   LEU  41          2HB       LEU  41  -2.577  -4.823  10.371
  315    HG   LEU  41           HG       LEU  41  -5.008  -3.789  10.214
  316   1HD1  LEU  41          3HD1      LEU  41  -3.176  -3.132   8.786
  317   2HD1  LEU  41          1HD1      LEU  41  -3.437  -4.538   7.749
  318   3HD1  LEU  41          2HD1      LEU  41  -4.683  -3.274   7.863
  319   1HD2  LEU  41          1HD2      LEU  41  -6.256  -5.871   9.981
  320   2HD2  LEU  41          2HD2      LEU  41  -6.493  -4.807   8.597
  321   3HD2  LEU  41          3HD2      LEU  41  -5.419  -6.213   8.449
  322    H    ARG  42           H        ARG  42  -1.296  -8.281  10.214
  323    HA   ARG  42           HA       ARG  42  -0.027  -7.744   7.815
  324   1HB   ARG  42          1HB       ARG  42   1.108  -8.945   9.595
  325   2HB   ARG  42          2HB       ARG  42  -0.077 -10.251   9.558
  326   1HG   ARG  42          1HG       ARG  42   0.738 -10.896   7.289
  327   2HG   ARG  42          2HG       ARG  42   1.980  -9.654   7.382
  328   1HD   ARG  42          1HD       ARG  42   1.698 -11.928   9.409
  329   2HD   ARG  42          2HD       ARG  42   2.614 -12.073   7.907
  330    HE   ARG  42           HE       ARG  42   3.433  -9.790   9.533
  331   1HH1  ARG  42          2HH2      ARG  42   4.140 -13.240   8.775
  332   2HH1  ARG  42          1HH2      ARG  42   5.794 -13.046   9.240
  333   1HH2  ARG  42          2HH1      ARG  42   5.503  -9.701  10.174
  334   2HH2  ARG  42          1HH1      ARG  42   6.596 -10.824   9.593
  335    H    GLY  43           H        GLY  43  -2.371 -10.394   8.514
  336   1HA   GLY  43          1HA       GLY  43  -2.199 -11.763   6.091
  337   2HA   GLY  43          2HA       GLY  43  -3.644 -11.708   7.112
  338    H    LEU  44           H        LEU  44  -4.310  -8.948   6.887
  339    HA   LEU  44           HA       LEU  44  -5.880  -9.113   4.521
  340   1HB   LEU  44          1HB       LEU  44  -6.296  -7.925   6.822
  341   2HB   LEU  44          2HB       LEU  44  -5.334  -6.609   6.181
  342    HG   LEU  44           HG       LEU  44  -7.688  -6.144   6.036
  343   1HD1  LEU  44          3HD1      LEU  44  -6.245  -5.278   4.196
  344   2HD1  LEU  44          1HD1      LEU  44  -6.760  -6.667   3.203
  345   3HD1  LEU  44          2HD1      LEU  44  -7.947  -5.473   3.754
  346   1HD2  LEU  44          1HD2      LEU  44  -8.495  -8.499   5.918
  347   2HD2  LEU  44          2HD2      LEU  44  -9.284  -7.423   4.764
  348   3HD2  LEU  44          3HD2      LEU  44  -8.035  -8.553   4.202
  349    H    CYS  45           H        CYS  45  -3.173  -6.882   5.458
  350    HA   CYS  45           HA       CYS  45  -2.709  -5.716   3.025
  351   1HB   CYS  45          1HB       CYS  45  -1.786  -5.159   5.262
  352   2HB   CYS  45          2HB       CYS  45  -0.703  -6.531   5.147
  353    H    LYS  46           H        LYS  46  -1.144  -8.818   4.168
  354    HA   LYS  46           HA       LYS  46   0.474  -9.020   1.813
  355   1HB   LYS  46          1HB       LYS  46  -0.586 -11.348   3.451
  356   2HB   LYS  46          2HB       LYS  46   0.713 -11.442   2.275
  357   1HG   LYS  46          1HG       LYS  46   0.858  -9.810   4.824
  358   2HG   LYS  46          2HG       LYS  46   1.354 -11.472   4.735
  359   1HD   LYS  46          1HD       LYS  46   2.696  -9.417   2.956
  360   2HD   LYS  46          2HD       LYS  46   3.056  -9.514   4.682
  361   1HE   LYS  46          1HE       LYS  46   3.482 -12.068   4.214
  362   2HE   LYS  46          2HE       LYS  46   3.687 -11.524   2.543
  363   1HZ   LYS  46          1HZ       LYS  46   5.368  -9.883   3.558
  364   2HZ   LYS  46          2HZ       LYS  46   5.304 -10.798   4.933
  365   3HZ   LYS  46          3HZ       LYS  46   5.807 -11.470   3.561
  366    H    LYS  47           H        LYS  47  -2.928 -10.100   2.405
  367    HA   LYS  47           HA       LYS  47  -3.204 -11.389  -0.159
  368   1HB   LYS  47          1HB       LYS  47  -4.722 -11.515   1.945
  369   2HB   LYS  47          2HB       LYS  47  -5.469 -10.045   1.337
  370   1HG   LYS  47          1HG       LYS  47  -5.322 -12.772   0.032
  371   2HG   LYS  47          2HG       LYS  47  -6.721 -12.012   0.723
  372   1HD   LYS  47          1HD       LYS  47  -5.405 -11.313  -1.921
  373   2HD   LYS  47          2HD       LYS  47  -6.878 -12.213  -1.658
  374   1HE   LYS  47          1HE       LYS  47  -7.872 -10.153  -0.546
  375   2HE   LYS  47          2HE       LYS  47  -6.472  -9.246  -1.145
  376   1HZ   LYS  47          1HZ       LYS  47  -8.378 -10.752  -2.856
  377   2HZ   LYS  47          2HZ       LYS  47  -8.391  -9.127  -2.649
  378   3HZ   LYS  47          3HZ       LYS  47  -7.140  -9.835  -3.413
  379    H    ILE  48           H        ILE  48  -3.847  -8.009   0.986
  380    HA   ILE  48           HA       ILE  48  -4.980  -6.978  -1.393
  381    HB   ILE  48           HB       ILE  48  -3.373  -5.726   0.846
  382   1HG1  ILE  48          1HG1      ILE  48  -5.773  -6.590   1.155
  383   2HG1  ILE  48          2HG1      ILE  48  -5.345  -4.993   1.761
  384   1HG2  ILE  48          3HG2      ILE  48  -4.532  -4.194  -1.496
  385   2HG2  ILE  48          1HG2      ILE  48  -4.041  -3.471   0.054
  386   3HG2  ILE  48          2HG2      ILE  48  -2.843  -4.259  -0.967
  387   1HD1  ILE  48          3HD1      ILE  48  -6.822  -5.495  -0.852
  388   2HD1  ILE  48          1HD1      ILE  48  -7.581  -5.087   0.703
  389   3HD1  ILE  48          2HD1      ILE  48  -6.511  -3.919  -0.076
  390    H    MET  49           H        MET  49  -1.515  -7.042  -0.362
  391    HA   MET  49           HA       MET  49  -0.643  -5.862  -2.832
  392   1HB   MET  49          1HB       MET  49   0.964  -7.480  -0.814
  393   2HB   MET  49          2HB       MET  49   1.626  -6.489  -2.124
  394   1HG   MET  49          1HG       MET  49   0.013  -5.542   0.264
  395   2HG   MET  49          2HG       MET  49   1.711  -5.216  -0.063
  396   1HE   MET  49          2HE       MET  49  -0.842  -3.255   0.722
  397   2HE   MET  49          3HE       MET  49   0.842  -2.674   0.702
  398   3HE   MET  49          1HE       MET  49  -0.418  -1.797  -0.197
  399    H    ARG  50           H        ARG  50  -0.788  -9.400  -1.860
  400    HA   ARG  50           HA       ARG  50   0.382 -10.247  -4.300
  401   1HB   ARG  50          1HB       ARG  50  -0.113 -11.732  -2.361
  402   2HB   ARG  50          2HB       ARG  50  -1.823 -11.635  -2.695
  403   1HG   ARG  50          1HG       ARG  50  -0.825 -13.758  -3.532
  404   2HG   ARG  50          2HG       ARG  50  -1.622 -12.820  -4.783
  405   1HD   ARG  50          1HD       ARG  50   0.703 -11.945  -5.464
  406   2HD   ARG  50          2HD       ARG  50   1.376 -13.106  -4.325
  407    HE   ARG  50           HE       ARG  50   0.891 -14.820  -5.769
  408   1HH1  ARG  50          2HH2      ARG  50  -0.752 -11.878  -7.024
  409   2HH1  ARG  50          1HH2      ARG  50  -0.913 -12.505  -8.613
  410   1HH2  ARG  50          2HH1      ARG  50   0.616 -15.643  -7.912
  411   2HH2  ARG  50          1HH1      ARG  50  -0.159 -14.700  -9.116
  412    H    SER  51           H        SER  51  -2.830  -9.365  -3.524
  413    HA   SER  51           HA       SER  51  -4.110 -10.126  -5.996
  414   1HB   SER  51          1HB       SER  51  -5.083  -9.815  -3.660
  415   2HB   SER  51          2HB       SER  51  -5.068  -8.072  -3.956
  416    HG   SER  51           HG       SER  51  -6.456  -8.574  -5.778
  417    H    PHE  52           H        PHE  52  -2.890  -6.890  -4.794
  418    HA   PHE  52           HA       PHE  52  -3.187  -5.878  -7.587
  419   1HB   PHE  52          1HB       PHE  52  -4.042  -4.281  -5.167
  420   2HB   PHE  52          2HB       PHE  52  -4.462  -4.025  -6.848
  421    HD1  PHE  52           HD2      PHE  52  -5.915  -6.123  -7.901
  422    HD2  PHE  52           HD1      PHE  52  -5.745  -4.895  -3.767
  423    HE1  PHE  52           HE2      PHE  52  -8.179  -7.054  -7.526
  424    HE2  PHE  52           HE1      PHE  52  -8.024  -5.798  -3.408
  425    HZ   PHE  52           HZ       PHE  52  -9.251  -6.874  -5.293
  426    H    LEU  53           H        LEU  53  -0.598  -6.462  -6.046
  427    HA   LEU  53           HA       LEU  53   0.386  -4.206  -4.861
  428   1HB   LEU  53          1HB       LEU  53   1.639  -6.272  -4.786
  429   2HB   LEU  53          2HB       LEU  53   1.990  -6.183  -6.515
  430    HG   LEU  53           HG       LEU  53   3.404  -4.205  -6.141
  431   1HD1  LEU  53          2HD1      LEU  53   2.670  -4.471  -3.179
  432   2HD1  LEU  53          3HD1      LEU  53   3.949  -3.432  -3.843
  433   3HD1  LEU  53          1HD1      LEU  53   2.272  -3.097  -4.237
  434   1HD2  LEU  53          1HD2      LEU  53   4.354  -6.476  -5.877
  435   2HD2  LEU  53          2HD2      LEU  53   5.154  -5.295  -4.843
  436   3HD2  LEU  53          3HD2      LEU  53   3.987  -6.431  -4.132
  437    H    ARG  54           H        ARG  54   1.007  -4.902  -8.393
  438    HA   ARG  54           HA       ARG  54   2.238  -2.412  -8.774
  439   1HB   ARG  54          1HB       ARG  54   2.220  -4.394 -10.365
  440   2HB   ARG  54          2HB       ARG  54   0.686  -3.769 -11.004
  441   1HG   ARG  54          1HG       ARG  54   1.779  -1.649 -11.635
  442   2HG   ARG  54          2HG       ARG  54   3.235  -2.115 -10.751
  443   1HD   ARG  54          1HD       ARG  54   3.373  -4.110 -12.415
  444   2HD   ARG  54          2HD       ARG  54   2.236  -3.161 -13.404
  445    HE   ARG  54           HE       ARG  54   4.632  -1.773 -12.348
  446   1HH1  ARG  54          2HH2      ARG  54   3.382  -3.405 -15.250
  447   2HH1  ARG  54          1HH2      ARG  54   4.633  -2.762 -16.262
  448   1HH2  ARG  54          2HH1      ARG  54   6.137  -1.036 -13.525
  449   2HH2  ARG  54          1HH1      ARG  54   6.336  -1.293 -15.246
  450    H    ARG  55           H        ARG  55  -1.304  -2.889  -8.288
  451    HA   ARG  55           HA       ARG  55  -1.895  -0.428  -9.607
  452   1HB   ARG  55          1HB       ARG  55  -3.405  -2.248  -7.740
  453   2HB   ARG  55          2HB       ARG  55  -3.951  -0.643  -7.912
  454   1HG   ARG  55          1HG       ARG  55  -3.639  -2.482 -10.287
  455   2HG   ARG  55          2HG       ARG  55  -5.059  -2.557  -9.269
  456   1HD   ARG  55          1HD       ARG  55  -4.415   0.110 -10.524
  457   2HD   ARG  55          2HD       ARG  55  -4.974  -1.175 -11.565
  458    HE   ARG  55           HE       ARG  55  -6.919  -1.360  -9.848
  459   1HH1  ARG  55          2HH2      ARG  55  -5.642   1.818 -11.057
  460   2HH1  ARG  55          1HH2      ARG  55  -7.162   2.563 -10.681
  461   1HH2  ARG  55          2HH1      ARG  55  -8.988  -0.131  -9.687
  462   2HH2  ARG  55          1HH1      ARG  55  -8.847   1.572  -9.880
  463    H    ILE  56           H        ILE  56  -1.284  -1.546  -6.195
  464    HA   ILE  56           HA       ILE  56  -1.535   1.065  -5.019
  465    HB   ILE  56           HB       ILE  56  -0.273  -1.546  -4.200
  466   1HG1  ILE  56          1HG1      ILE  56  -1.932  -1.478  -2.451
  467   2HG1  ILE  56          2HG1      ILE  56  -2.343   0.201  -2.815
  468   1HG2  ILE  56          2HG2      ILE  56  -0.010   1.050  -2.625
  469   2HG2  ILE  56          3HG2      ILE  56   0.288  -0.582  -1.982
  470   3HG2  ILE  56          1HG2      ILE  56   1.312   0.052  -3.263
  471   1HD1  ILE  56          2HD1      ILE  56  -2.863  -2.083  -4.741
  472   2HD1  ILE  56          3HD1      ILE  56  -4.032  -1.480  -3.563
  473   3HD1  ILE  56          1HD1      ILE  56  -3.462  -0.416  -4.861
  474    H    SER  57           H        SER  57   1.207  -0.544  -6.692
  475    HA   SER  57           HA       SER  57   3.062   1.499  -6.029
  476   1HB   SER  57          1HB       SER  57   3.511  -0.864  -6.961
  477   2HB   SER  57          2HB       SER  57   3.033  -0.242  -8.551
  478    HG   SER  57           HG       SER  57   5.140  -0.082  -8.492
  479    H    TRP  58           H        TRP  58   0.969   1.169  -9.023
  480    HA   TRP  58           HA       TRP  58   1.746   3.565 -10.239
  481   1HB   TRP  58          1HB       TRP  58   0.190   2.864 -11.666
  482   2HB   TRP  58          2HB       TRP  58  -0.511   1.782 -10.483
  483    HD1  TRP  58           HD1      TRP  58  -0.819   5.532 -11.495
  484    HE1  TRP  58           HE1      TRP  58  -3.136   6.375 -10.931
  485    HE3  TRP  58           HE3      TRP  58  -2.787   1.276  -9.516
  486    HZ2  TRP  58           HZ2      TRP  58  -5.457   5.380  -9.448
  487    HZ3  TRP  58           HZ3      TRP  58  -4.901   1.276  -8.314
  488    HH2  TRP  58           HH2      TRP  58  -6.208   3.262  -8.112
  489    H    ASP  59           H        ASP  59  -0.680   3.165  -7.644
  490    HA   ASP  59           HA       ASP  59  -1.350   5.912  -7.336
  491   1HB   ASP  59          1HB       ASP  59  -1.256   3.743  -5.212
  492   2HB   ASP  59          2HB       ASP  59  -1.824   5.389  -4.947
  493    HD2  ASP  59           HD2      ASP  59  -3.805   2.843  -7.243
  494    H    ILE  60           H        ILE  60   1.249   4.058  -5.679
  495    HA   ILE  60           HA       ILE  60   2.137   6.245  -4.085
  496    HB   ILE  60           HB       ILE  60   3.400   3.635  -4.991
  497   1HG1  ILE  60          1HG1      ILE  60   1.395   3.496  -3.455
  498   2HG1  ILE  60          2HG1      ILE  60   2.870   2.760  -2.840
  499   1HG2  ILE  60          3HG2      ILE  60   4.512   5.695  -3.070
  500   2HG2  ILE  60          1HG2      ILE  60   4.987   3.981  -3.050
  501   3HG2  ILE  60          2HG2      ILE  60   5.269   4.953  -4.499
  502   1HD1  ILE  60          2HD1      ILE  60   3.180   4.709  -1.368
  503   2HD1  ILE  60          3HD1      ILE  60   1.679   5.425  -2.044
  504   3HD1  ILE  60          1HD1      ILE  60   1.624   3.892  -1.148
  505    H    LEU  61           H        LEU  61   3.306   5.000  -7.240
  506    HA   LEU  61           HA       LEU  61   5.387   6.876  -7.654
  507   1HB   LEU  61          1HB       LEU  61   3.591   5.427  -9.638
  508   2HB   LEU  61          2HB       LEU  61   5.057   6.289 -10.085
  509    HG   LEU  61           HG       LEU  61   5.095   3.966  -8.106
  510   1HD1  LEU  61          1HD1      LEU  61   4.148   3.169 -10.235
  511   2HD1  LEU  61          2HD1      LEU  61   5.530   3.859 -11.120
  512   3HD1  LEU  61          3HD1      LEU  61   5.764   2.520  -9.970
  513   1HD2  LEU  61          2HD2      LEU  61   7.296   5.189  -9.818
  514   2HD2  LEU  61          3HD2      LEU  61   7.110   5.381  -8.061
  515   3HD2  LEU  61          1HD2      LEU  61   7.438   3.783  -8.741
  516    H    THR  62           H        THR  62   1.888   7.115  -8.367
  517    HA   THR  62           HA       THR  62   2.225   9.877  -9.395
  518    HB   THR  62           HB       THR  62  -0.255   9.753  -9.731
  519    HG1  THR  62           HG1      THR  62   0.100   7.010  -9.082
  520   1HG2  THR  62          1HG2      THR  62   1.322   9.210 -11.548
  521   2HG2  THR  62          2HG2      THR  62   1.328   7.505 -11.052
  522   3HG2  THR  62          3HG2      THR  62  -0.166   8.257 -11.658
  523    H    GLY  63           H        GLY  63   2.585   8.796  -6.489
  524   1HA   GLY  63          1HA       GLY  63   2.017   9.150  -4.352
  525   2HA   GLY  63          2HA       GLY  63   2.284  10.831  -4.833
  526    H    LYS  64           H        LYS  64  -0.460   8.569  -5.571
  527    HA   LYS  64           HA       LYS  64  -2.284  10.780  -4.827
  528   1HB   LYS  64          1HB       LYS  64  -2.697   9.450  -6.839
  529   2HB   LYS  64          2HB       LYS  64  -2.740   7.945  -5.918
  530   1HG   LYS  64          1HG       LYS  64  -4.872   8.362  -5.054
  531   2HG   LYS  64          2HG       LYS  64  -4.688  10.114  -5.174
  532   1HD   LYS  64          1HD       LYS  64  -6.328   9.460  -6.791
  533   2HD   LYS  64          2HD       LYS  64  -4.891  10.027  -7.613
  534   1HE   LYS  64          1HE       LYS  64  -5.677   8.184  -8.850
  535   2HE   LYS  64          2HE       LYS  64  -4.224   7.614  -8.027
  536   1HZ   LYS  64          3HZ       LYS  64  -6.756   7.133  -6.665
  537   2HZ   LYS  64          1HZ       LYS  64  -6.558   6.337  -8.060
  538   3HZ   LYS  64          2HZ       LYS  64  -5.429   6.137  -6.879
  539    H    LYS  65           H        LYS  65  -3.567  10.711  -2.990
  540    HA   LYS  65           HA       LYS  65  -2.313   9.233  -0.888
  541   1HB   LYS  65          1HB       LYS  65  -4.492  11.302  -0.899
  542   2HB   LYS  65          2HB       LYS  65  -4.225  10.357   0.555
  543   1HG   LYS  65          1HG       LYS  65  -2.912  12.327   0.774
  544   2HG   LYS  65          2HG       LYS  65  -1.843  10.968   0.570
  545   1HD   LYS  65          1HD       LYS  65  -1.949  11.970  -2.041
  546   2HD   LYS  65          2HD       LYS  65  -2.200  13.406  -1.075
  547   1HE   LYS  65          1HE       LYS  65   0.133  13.263  -1.398
  548   2HE   LYS  65          2HE       LYS  65  -0.124  12.733   0.273
  549   1HZ   LYS  65          1HZ       LYS  65   0.297  10.966  -2.065
  550   2HZ   LYS  65          2HZ       LYS  65   1.418  11.306  -0.919
  551   3HZ   LYS  65          3HZ       LYS  65   0.124  10.430  -0.492
  552    HA   PRO  66           HA       PRO  66  -4.189   5.520  -0.270
  553   1HB   PRO  66          1HB       PRO  66  -4.744   5.454   2.486
  554   2HB   PRO  66          2HB       PRO  66  -3.181   5.155   1.691
  555   1HG   PRO  66          1HG       PRO  66  -4.196   7.759   2.809
  556   2HG   PRO  66          2HG       PRO  66  -2.576   6.961   3.003
  557   1HD   PRO  66          1HD       PRO  66  -2.755   8.859   1.261
  558   2HD   PRO  66          2HD       PRO  66  -2.017   7.314   0.735
  559    H    GLN  67           H        GLN  67  -6.272   7.892   1.536
  560    HA   GLN  67           HA       GLN  67  -8.484   6.090   1.486
  561   1HB   GLN  67          1HB       GLN  67  -8.146   8.144   2.946
  562   2HB   GLN  67          2HB       GLN  67  -8.722   9.123   1.590
  563   1HG   GLN  67          1HG       GLN  67 -10.889   8.054   1.645
  564   2HG   GLN  67          2HG       GLN  67 -10.305   6.755   2.693
  565   1HE2  GLN  67          2HE2      GLN  67 -11.997   9.827   4.521
  566   2HE2  GLN  67          1HE2      GLN  67 -12.275   9.395   2.851
  567    H    ALA  68           H        ALA  68  -7.126   8.153  -0.996
  568    HA   ALA  68           HA       ALA  68  -9.517   7.930  -2.727
  569   1HB   ALA  68          1HB       ALA  68  -8.095   9.965  -2.850
  570   2HB   ALA  68          2HB       ALA  68  -6.731   8.966  -3.409
  571   3HB   ALA  68          3HB       ALA  68  -8.197   9.100  -4.393
  572    H    ILE  69           H        ILE  69  -6.390   6.277  -2.215
  573    HA   ILE  69           HA       ILE  69  -6.414   4.660  -4.565
  574    HB   ILE  69           HB       ILE  69  -5.371   4.000  -1.743
  575   1HG1  ILE  69          1HG1      ILE  69  -3.982   5.228  -4.118
  576   2HG1  ILE  69          2HG1      ILE  69  -4.295   5.934  -2.578
  577   1HG2  ILE  69          1HG2      ILE  69  -4.934   2.534  -4.359
  578   2HG2  ILE  69          2HG2      ILE  69  -3.984   2.246  -2.883
  579   3HG2  ILE  69          3HG2      ILE  69  -5.698   1.926  -2.880
  580   1HD1  ILE  69          3HD1      ILE  69  -2.930   4.151  -1.489
  581   2HD1  ILE  69          1HD1      ILE  69  -2.320   3.714  -3.093
  582   3HD1  ILE  69          2HD1      ILE  69  -2.028   5.341  -2.456
  583    H    CYS  70           H        CYS  70  -7.716   3.987  -1.305
  584    HA   CYS  70           HA       CYS  70  -8.761   1.435  -1.894
  585   1HB   CYS  70          1HB       CYS  70  -9.819   3.482   0.098
  586   2HB   CYS  70          2HB       CYS  70 -10.017   1.726   0.181
  587    H    VAL  71           H        VAL  71 -10.359   4.661  -2.393
  588    HA   VAL  71           HA       VAL  71 -12.829   3.395  -3.173
  589    HB   VAL  71           HB       VAL  71 -11.784   6.188  -3.732
  590   1HG1  VAL  71          3HG1      VAL  71 -13.598   5.554  -5.328
  591   2HG1  VAL  71          1HG1      VAL  71 -14.631   5.096  -3.962
  592   3HG1  VAL  71          2HG1      VAL  71 -14.142   6.786  -4.185
  593   1HG2  VAL  71          2HG2      VAL  71 -12.152   5.646  -1.272
  594   2HG2  VAL  71          3HG2      VAL  71 -13.201   6.919  -1.900
  595   3HG2  VAL  71          1HG2      VAL  71 -13.848   5.291  -1.673
  596    H    ASP  72           H        ASP  72  -9.960   4.632  -5.015
  597    HA   ASP  72           HA       ASP  72 -10.946   4.263  -7.603
  598   1HB   ASP  72          1HB       ASP  72  -8.889   5.468  -6.835
  599   2HB   ASP  72          2HB       ASP  72  -8.088   3.925  -6.603
  600    H    ILE  73           H        ILE  73  -9.109   1.960  -5.575
  601    HA   ILE  73           HA       ILE  73  -9.329  -0.078  -7.689
  602    HB   ILE  73           HB       ILE  73  -7.801  -1.380  -6.456
  603   1HG1  ILE  73          1HG1      ILE  73  -8.334   0.558  -4.152
  604   2HG1  ILE  73          2HG1      ILE  73  -8.614  -1.168  -4.214
  605   1HG2  ILE  73          1HG2      ILE  73  -7.066   0.705  -7.727
  606   2HG2  ILE  73          2HG2      ILE  73  -6.813   1.465  -6.160
  607   3HG2  ILE  73          3HG2      ILE  73  -5.906  -0.002  -6.601
  608   1HD1  ILE  73          1HD1      ILE  73  -6.209  -1.578  -4.424
  609   2HD1  ILE  73          2HD1      ILE  73  -5.900   0.172  -4.318
  610   3HD1  ILE  73          3HD1      ILE  73  -6.602  -0.661  -2.931
  611    H    LYS  74           H        LYS  74 -11.381   0.915  -5.356
  612    HA   LYS  74           HA       LYS  74 -13.343   0.458  -4.774
  613   1HB   LYS  74          1HB       LYS  74 -13.520  -0.324  -7.140
  614   2HB   LYS  74          2HB       LYS  74 -13.318  -1.996  -6.552
  615   1HG   LYS  74          1HG       LYS  74 -15.223  -1.572  -4.974
  616   2HG   LYS  74          2HG       LYS  74 -15.400  -0.003  -5.704
  617   1HD   LYS  74          1HD       LYS  74 -15.654  -1.255  -7.970
  618   2HD   LYS  74          2HD       LYS  74 -16.110  -2.584  -6.902
  619   1HE   LYS  74          1HE       LYS  74 -17.413   0.156  -6.938
  620   2HE   LYS  74          2HE       LYS  74 -18.060  -1.247  -7.786
  621   1HZ   LYS  74          3HZ       LYS  74 -17.649  -1.168  -4.865
  622   2HZ   LYS  74          1HZ       LYS  74 -19.018  -0.716  -5.515
  623   3HZ   LYS  74          2HZ       LYS  74 -18.539  -2.286  -5.712
  624    H    ILE  75           H        ILE  75 -12.444   0.257  -2.770
  625    HA   ILE  75           HA       ILE  75 -12.806  -2.346  -1.374
  626    HB   ILE  75           HB       ILE  75 -10.397  -0.496  -1.360
  627   1HG1  ILE  75          1HG1      ILE  75 -10.754  -3.436  -2.144
  628   2HG1  ILE  75          2HG1      ILE  75 -10.350  -2.097  -3.209
  629   1HG2  ILE  75          2HG2      ILE  75 -10.755  -1.208   0.973
  630   2HG2  ILE  75          3HG2      ILE  75 -10.755  -2.919   0.428
  631   3HG2  ILE  75          1HG2      ILE  75  -9.305  -1.903   0.321
  632   1HD1  ILE  75          3HD1      ILE  75  -8.206  -1.822  -1.823
  633   2HD1  ILE  75          1HD1      ILE  75  -8.586  -3.432  -1.172
  634   3HD1  ILE  75          2HD1      ILE  75  -8.323  -3.227  -2.913
  635    H    CYS  76           H        CYS  76 -13.256   1.111  -1.427
  636    HA   CYS  76           HA       CYS  76 -13.263   1.316   1.505
  637   1HB   CYS  76          1HB       CYS  76 -12.245   3.117   0.138
  638   2HB   CYS  76          2HB       CYS  76 -13.820   3.462  -0.528
  639    H    LYS  77           H        LYS  77 -15.653   2.807  -0.711
  640    HA   LYS  77           HA       LYS  77 -17.768   1.188   0.130
  641   1HB   LYS  77          1HB       LYS  77 -17.772   2.715   2.177
  642   2HB   LYS  77          2HB       LYS  77 -18.154   4.059   1.099
  643   1HG   LYS  77          1HG       LYS  77 -19.976   1.881   0.457
  644   2HG   LYS  77          2HG       LYS  77 -19.873   1.970   2.195
  645   1HD   LYS  77          1HD       LYS  77 -21.751   3.243   1.583
  646   2HD   LYS  77          2HD       LYS  77 -20.521   4.389   2.086
  647   1HE   LYS  77          1HE       LYS  77 -21.761   5.240   0.177
  648   2HE   LYS  77          2HE       LYS  77 -20.074   4.990  -0.259
  649   1HZ   LYS  77          2HZ       LYS  77 -22.240   3.088  -1.003
  650   2HZ   LYS  77          3HZ       LYS  77 -21.594   4.236  -1.983
  651   3HZ   LYS  77          1HZ       LYS  77 -20.689   3.025  -1.506
  652    H    GLU  78           H        GLU  78 -17.080   1.178  -2.134
  653    HA   GLU  78           HA       GLU  78 -18.455   3.176  -3.789
  654   1HB   GLU  78          1HB       GLU  78 -17.068   0.545  -4.389
  655   2HB   GLU  78          2HB       GLU  78 -17.641   1.704  -5.609
  656   1HG   GLU  78          1HG       GLU  78 -15.260   1.974  -5.376
  657   2HG   GLU  78          2HG       GLU  78 -16.054   3.373  -4.706
   
  No H/Q in entry =         657
  Start of MODEL   17
    1   1H    GLY   1          3H        GLY   1 -16.681  -5.232   4.584
    2   2H    GLY   1          1H        GLY   1 -17.554  -5.347   5.966
    3   3H    GLY   1          2H        GLY   1 -18.217  -4.617   4.637
    4   1HA   GLY   1          1HA       GLY   1 -16.635  -2.848   4.730
    5   2HA   GLY   1          2HA       GLY   1 -17.501  -2.988   6.285
    6    H    TYR   2           H        TYR   2 -15.686  -2.045   7.475
    7    HA   TYR   2           HA       TYR   2 -13.790  -1.893   8.597
    8   1HB   TYR   2          1HB       TYR   2 -14.358  -4.081   9.518
    9   2HB   TYR   2          2HB       TYR   2 -13.534  -4.887   8.186
   10    HD1  TYR   2           HD2      TYR   2 -12.666  -2.063  10.576
   11    HD2  TYR   2           HD1      TYR   2 -11.499  -5.859   8.855
   12    HE1  TYR   2           HE2      TYR   2 -10.461  -1.870  11.632
   13    HE2  TYR   2           HE1      TYR   2  -9.286  -5.663   9.957
   14    HH   TYR   2           HH       TYR   2  -8.260  -2.580  11.080
   15    H    PHE   3           H        PHE   3 -13.233  -3.762   5.641
   16    HA   PHE   3           HA       PHE   3 -10.664  -3.441   5.061
   17   1HB   PHE   3          1HB       PHE   3 -13.089  -3.021   3.285
   18   2HB   PHE   3          2HB       PHE   3 -11.450  -2.937   2.675
   19    HD1  PHE   3           HD1      PHE   3 -11.936  -5.573   5.213
   20    HD2  PHE   3           HD2      PHE   3 -12.214  -4.533   1.022
   21    HE1  PHE   3           HE1      PHE   3 -11.871  -7.959   4.604
   22    HE2  PHE   3           HE2      PHE   3 -12.121  -6.929   0.423
   23    HZ   PHE   3           HZ       PHE   3 -11.939  -8.647   2.220
   24    H    CYS   4           H        CYS   4 -12.934  -0.618   4.755
   25    HA   CYS   4           HA       CYS   4 -11.091   1.013   3.402
   26   1HB   CYS   4          1HB       CYS   4 -13.582   1.500   3.828
   27   2HB   CYS   4          2HB       CYS   4 -13.103   2.086   5.416
   28    H    GLU   5           H        GLU   5 -11.533   0.587   6.947
   29    HA   GLU   5           HA       GLU   5  -9.673   2.603   7.828
   30   1HB   GLU   5          1HB       GLU   5 -11.289   1.581   9.358
   31   2HB   GLU   5          2HB       GLU   5 -10.694  -0.036   9.037
   32   1HG   GLU   5          1HG       GLU   5  -9.100   2.143  10.430
   33   2HG   GLU   5          2HG       GLU   5 -10.038   0.904  11.252
   34    H    SER   6           H        SER   6  -9.465  -0.939   7.423
   35    HA   SER   6           HA       SER   6  -6.777  -1.182   7.992
   36   1HB   SER   6          1HB       SER   6  -8.267  -2.893   5.970
   37   2HB   SER   6          2HB       SER   6  -6.936  -3.374   7.039
   38    HG   SER   6           HG       SER   6  -8.621  -2.505   8.729
   39    H    CYS   7           H        CYS   7  -8.217  -0.790   4.734
   40    HA   CYS   7           HA       CYS   7  -5.806  -0.896   3.239
   41   1HB   CYS   7          1HB       CYS   7  -8.013  -1.197   2.304
   42   2HB   CYS   7          2HB       CYS   7  -8.470   0.461   2.685
   43    H    ARG   8           H        ARG   8  -7.620   1.919   4.639
   44    HA   ARG   8           HA       ARG   8  -5.807   3.853   3.623
   45   1HB   ARG   8          1HB       ARG   8  -8.108   4.306   4.634
   46   2HB   ARG   8          2HB       ARG   8  -7.380   4.043   6.225
   47   1HG   ARG   8          1HG       ARG   8  -5.609   5.859   5.123
   48   2HG   ARG   8          2HG       ARG   8  -7.093   6.328   4.298
   49   1HD   ARG   8          1HD       ARG   8  -8.200   6.711   6.456
   50   2HD   ARG   8          2HD       ARG   8  -6.835   6.001   7.314
   51    HE   ARG   8           HE       ARG   8  -5.428   7.816   6.838
   52   1HH1  ARG   8          2HH2      ARG   8  -8.663   8.538   5.486
   53   2HH1  ARG   8          1HH2      ARG   8  -8.457  10.239   5.663
   54   1HH2  ARG   8          2HH1      ARG   8  -5.051   9.917   6.755
   55   2HH2  ARG   8          1HH1      ARG   8  -6.273  11.095   6.378
   56    H    LYS   9           H        LYS   9  -5.818   2.094   6.807
   57    HA   LYS   9           HA       LYS   9  -3.472   3.318   7.830
   58   1HB   LYS   9          1HB       LYS   9  -5.098   2.023   9.162
   59   2HB   LYS   9          2HB       LYS   9  -4.653   0.540   8.316
   60   1HG   LYS   9          1HG       LYS   9  -2.376   0.667   9.183
   61   2HG   LYS   9          2HG       LYS   9  -2.718   2.197   9.997
   62   1HD   LYS   9          1HD       LYS   9  -4.413  -0.238  10.651
   63   2HD   LYS   9          2HD       LYS   9  -2.757  -0.172  11.236
   64   1HE   LYS   9          1HE       LYS   9  -4.168   0.629  12.977
   65   2HE   LYS   9          2HE       LYS   9  -3.193   1.982  12.383
   66   1HZ   LYS   9          3HZ       LYS   9  -5.986   1.431  11.577
   67   2HZ   LYS   9          1HZ       LYS   9  -5.583   2.502  12.753
   68   3HZ   LYS   9          2HZ       LYS   9  -5.141   2.750  11.177
   69    H    ILE  10           H        ILE  10  -3.876   0.419   5.800
   70    HA   ILE  10           HA       ILE  10  -1.206  -0.467   5.756
   71    HB   ILE  10           HB       ILE  10  -3.536  -0.795   3.853
   72   1HG1  ILE  10          1HG1      ILE  10  -2.065  -2.875   5.517
   73   2HG1  ILE  10          2HG1      ILE  10  -3.301  -1.876   6.236
   74   1HG2  ILE  10          1HG2      ILE  10  -0.757  -1.987   3.601
   75   2HG2  ILE  10          2HG2      ILE  10  -2.180  -2.666   2.783
   76   3HG2  ILE  10          3HG2      ILE  10  -1.635  -1.044   2.381
   77   1HD1  ILE  10          2HD1      ILE  10  -3.779  -3.663   3.820
   78   2HD1  ILE  10          3HD1      ILE  10  -4.251  -4.028   5.474
   79   3HD1  ILE  10          1HD1      ILE  10  -4.985  -2.666   4.620
   80    H    ILE  11           H        ILE  11  -2.906   1.702   3.352
   81    HA   ILE  11           HA       ILE  11  -0.430   2.275   2.011
   82    HB   ILE  11           HB       ILE  11  -3.027   3.846   2.082
   83   1HG1  ILE  11          1HG1      ILE  11  -3.415   1.872   0.785
   84   2HG1  ILE  11          2HG1      ILE  11  -3.156   3.183  -0.349
   85   1HG2  ILE  11          2HG2      ILE  11  -0.506   4.367   0.433
   86   2HG2  ILE  11          3HG2      ILE  11  -2.076   5.139   0.162
   87   3HG2  ILE  11          1HG2      ILE  11  -1.203   5.445   1.640
   88   1HD1  ILE  11          1HD1      ILE  11  -0.810   2.370  -0.708
   89   2HD1  ILE  11          2HD1      ILE  11  -1.186   0.976   0.341
   90   3HD1  ILE  11          3HD1      ILE  11  -2.088   1.236  -1.161
   91    H    GLN  12           H        GLN  12  -2.100   4.012   4.739
   92    HA   GLN  12           HA       GLN  12  -0.406   6.222   4.677
   93   1HB   GLN  12          1HB       GLN  12  -1.836   4.924   7.010
   94   2HB   GLN  12          2HB       GLN  12  -0.974   6.453   7.160
   95   1HG   GLN  12          1HG       GLN  12  -2.919   6.310   4.880
   96   2HG   GLN  12          2HG       GLN  12  -3.608   6.218   6.495
   97   1HE2  GLN  12          2HE2      GLN  12  -1.533   9.713   5.649
   98   2HE2  GLN  12          1HE2      GLN  12  -1.048   8.303   4.779
   99    H    LYS  13           H        LYS  13   0.278   3.131   6.561
  100    HA   LYS  13           HA       LYS  13   2.787   4.368   7.333
  101   1HB   LYS  13          1HB       LYS  13   1.683   2.627   8.733
  102   2HB   LYS  13          2HB       LYS  13   2.146   1.412   7.538
  103   1HG   LYS  13          1HG       LYS  13   3.652   1.603   9.573
  104   2HG   LYS  13          2HG       LYS  13   4.490   1.706   8.026
  105   1HD   LYS  13          1HD       LYS  13   4.771   4.076   8.217
  106   2HD   LYS  13          2HD       LYS  13   3.679   4.187   9.603
  107   1HE   LYS  13          1HE       LYS  13   5.302   3.081  11.024
  108   2HE   LYS  13          2HE       LYS  13   6.338   2.701   9.626
  109   1HZ   LYS  13          3HZ       LYS  13   5.700   5.516  10.272
  110   2HZ   LYS  13          1HZ       LYS  13   7.043   4.758  10.923
  111   3HZ   LYS  13          2HZ       LYS  13   6.783   5.001   9.313
  112    H    LEU  14           H        LEU  14   1.748   2.581   4.492
  113    HA   LEU  14           HA       LEU  14   4.401   1.821   3.651
  114   1HB   LEU  14          1HB       LEU  14   2.193   0.843   2.821
  115   2HB   LEU  14          2HB       LEU  14   1.906   2.315   1.964
  116    HG   LEU  14           HG       LEU  14   2.936   0.144   0.860
  117   1HD1  LEU  14          1HD1      LEU  14   2.301   2.233  -0.272
  118   2HD1  LEU  14          2HD1      LEU  14   3.917   2.898   0.085
  119   3HD1  LEU  14          3HD1      LEU  14   3.728   1.464  -0.953
  120   1HD2  LEU  14          3HD2      LEU  14   5.040   0.067   2.206
  121   2HD2  LEU  14          1HD2      LEU  14   5.316   0.246   0.457
  122   3HD2  LEU  14          2HD2      LEU  14   5.518   1.619   1.516
  123    H    GLU  15           H        GLU  15   2.261   4.552   2.976
  124    HA   GLU  15           HA       GLU  15   3.803   6.077   1.202
  125   1HB   GLU  15          1HB       GLU  15   1.370   6.243   1.610
  126   2HB   GLU  15          2HB       GLU  15   1.636   6.597   3.305
  127   1HG   GLU  15          1HG       GLU  15   2.460   8.840   2.741
  128   2HG   GLU  15          2HG       GLU  15   2.214   8.491   1.022
  129    H    ASP  16           H        ASP  16   3.440   6.363   4.742
  130    HA   ASP  16           HA       ASP  16   5.480   8.212   5.299
  131   1HB   ASP  16          1HB       ASP  16   3.932   7.556   6.993
  132   2HB   ASP  16          2HB       ASP  16   4.194   5.852   6.692
  133    H    MET  17           H        MET  17   5.865   4.624   5.085
  134    HA   MET  17           HA       MET  17   8.659   4.802   5.733
  135   1HB   MET  17          1HB       MET  17   7.005   2.608   4.427
  136   2HB   MET  17          2HB       MET  17   8.739   2.444   4.740
  137   1HG   MET  17          1HG       MET  17   8.319   2.852   7.162
  138   2HG   MET  17          2HG       MET  17   6.600   2.829   6.844
  139   1HE   MET  17          1HE       MET  17   6.236   0.480   4.727
  140   2HE   MET  17          2HE       MET  17   7.956   0.196   4.408
  141   3HE   MET  17          3HE       MET  17   6.972  -1.086   5.134
  142    H    VAL  18           H        VAL  18   6.947   4.457   2.545
  143    HA   VAL  18           HA       VAL  18   9.438   4.038   1.151
  144    HB   VAL  18           HB       VAL  18   7.067   3.258   0.546
  145   1HG1  VAL  18          1HG1      VAL  18   6.032   5.551   0.591
  146   2HG1  VAL  18          2HG1      VAL  18   6.868   5.882  -0.934
  147   3HG1  VAL  18          3HG1      VAL  18   5.683   4.552  -0.822
  148   1HG2  VAL  18          3HG2      VAL  18   9.096   4.256  -1.419
  149   2HG2  VAL  18          1HG2      VAL  18   8.804   2.624  -0.808
  150   3HG2  VAL  18          2HG2      VAL  18   7.637   3.354  -1.916
  151    H    GLY  19           H        GLY  19   7.482   6.836   2.084
  152   1HA   GLY  19          1HA       GLY  19   8.134   8.952   2.362
  153   2HA   GLY  19          2HA       GLY  19   9.763   8.536   1.801
  154    HA   PRO  20           HA       PRO  20   7.448  11.042  -1.361
  155   1HB   PRO  20          1HB       PRO  20   8.864  13.386  -1.405
  156   2HB   PRO  20          2HB       PRO  20   7.753  12.988  -0.060
  157   1HG   PRO  20          1HG       PRO  20  10.759  12.525  -0.179
  158   2HG   PRO  20          2HG       PRO  20   9.829  13.371   1.101
  159   1HD   PRO  20          1HD       PRO  20  10.506  10.726   1.299
  160   2HD   PRO  20          2HD       PRO  20   8.950  11.345   1.931
  161    H    GLN  21           H        GLN  21  10.174   9.404  -1.566
  162    HA   GLN  21           HA       GLN  21  10.639  10.093  -4.423
  163   1HB   GLN  21          1HB       GLN  21  12.863  10.008  -2.352
  164   2HB   GLN  21          2HB       GLN  21  13.133   9.954  -4.093
  165   1HG   GLN  21          1HG       GLN  21  11.763  12.287  -2.687
  166   2HG   GLN  21          2HG       GLN  21  13.478  12.194  -3.049
  167   1HE2  GLN  21          2HE2      GLN  21  10.901  12.975  -6.126
  168   2HE2  GLN  21          1HE2      GLN  21  10.229  12.405  -4.590
  169    HA   PRO  22           HA       PRO  22  10.692   5.534  -3.663
  170   1HB   PRO  22          1HB       PRO  22   8.273   4.737  -4.399
  171   2HB   PRO  22          2HB       PRO  22   8.426   5.705  -2.895
  172   1HG   PRO  22          1HG       PRO  22   7.724   6.717  -5.657
  173   2HG   PRO  22          2HG       PRO  22   6.821   6.953  -4.118
  174   1HD   PRO  22          1HD       PRO  22   8.662   8.791  -5.031
  175   2HD   PRO  22          2HD       PRO  22   8.338   8.482  -3.295
  176    H    ASN  23           H        ASN  23  10.152   3.776  -5.445
  177    HA   ASN  23           HA       ASN  23   9.856   4.586  -8.166
  178   1HB   ASN  23          1HB       ASN  23  11.861   3.554  -9.051
  179   2HB   ASN  23          2HB       ASN  23  12.301   4.879  -7.976
  180   1HD2  ASN  23          2HD2      ASN  23  14.049   2.766  -5.762
  181   2HD2  ASN  23          1HD2      ASN  23  13.839   4.386  -6.385
  182    H    GLU  24           H        GLU  24   9.648   2.485  -9.460
  183    HA   GLU  24           HA       GLU  24   7.639   0.894  -8.512
  184   1HB   GLU  24          1HB       GLU  24   8.202   1.158 -10.841
  185   2HB   GLU  24          2HB       GLU  24   9.775   0.429 -10.597
  186   1HG   GLU  24          1HG       GLU  24   8.453  -1.156 -11.754
  187   2HG   GLU  24          2HG       GLU  24   8.636  -1.780 -10.125
  188    H    ASP  25           H        ASP  25  11.152   0.149  -8.067
  189    HA   ASP  25           HA       ASP  25  10.586  -2.472  -6.901
  190   1HB   ASP  25          1HB       ASP  25  12.791  -2.246  -7.790
  191   2HB   ASP  25          2HB       ASP  25  13.084  -0.745  -6.899
  192    H    THR  26           H        THR  26  11.641   0.725  -5.638
  193    HA   THR  26           HA       THR  26  11.615  -0.041  -2.977
  194    HB   THR  26           HB       THR  26  11.005   2.779  -3.983
  195    HG1  THR  26           HG1      THR  26  13.232   1.075  -4.079
  196   1HG2  THR  26          3HG2      THR  26  12.557   1.777  -1.535
  197   2HG2  THR  26          1HG2      THR  26  12.326   3.471  -2.020
  198   3HG2  THR  26          2HG2      THR  26  10.943   2.505  -1.491
  199    H    VAL  27           H        VAL  27   8.781   1.038  -4.863
  200    HA   VAL  27           HA       VAL  27   7.107   1.084  -2.465
  201    HB   VAL  27           HB       VAL  27   6.087   0.649  -5.299
  202   1HG1  VAL  27          1HG1      VAL  27   4.921   1.717  -2.697
  203   2HG1  VAL  27          2HG1      VAL  27   4.048   1.778  -4.212
  204   3HG1  VAL  27          3HG1      VAL  27   4.455   0.203  -3.515
  205   1HG2  VAL  27          3HG2      VAL  27   6.549   3.306  -3.896
  206   2HG2  VAL  27          1HG2      VAL  27   7.357   2.744  -5.371
  207   3HG2  VAL  27          2HG2      VAL  27   5.635   3.077  -5.406
  208    H    THR  28           H        THR  28   7.848  -1.360  -5.026
  209    HA   THR  28           HA       THR  28   6.058  -3.351  -4.177
  210    HB   THR  28           HB       THR  28   8.665  -3.376  -5.741
  211    HG1  THR  28           HG1      THR  28   7.256  -2.511  -7.009
  212   1HG2  THR  28          2HG2      THR  28   6.710  -5.691  -5.457
  213   2HG2  THR  28          3HG2      THR  28   8.047  -5.569  -6.614
  214   3HG2  THR  28          1HG2      THR  28   8.395  -5.656  -4.885
  215    H    GLN  29           H        GLN  29   9.545  -2.881  -3.298
  216    HA   GLN  29           HA       GLN  29   9.503  -5.078  -1.445
  217   1HB   GLN  29          1HB       GLN  29  11.620  -4.262  -0.614
  218   2HB   GLN  29          2HB       GLN  29  11.598  -4.471  -2.361
  219   1HG   GLN  29          1HG       GLN  29  11.796  -2.218  -2.796
  220   2HG   GLN  29          2HG       GLN  29  11.206  -1.709  -1.208
  221   1HE2  GLN  29          2HE2      GLN  29  15.164  -2.172  -1.735
  222   2HE2  GLN  29          1HE2      GLN  29  14.018  -2.187  -3.071
  223    H    ALA  30           H        ALA  30   9.159  -1.484  -0.947
  224    HA   ALA  30           HA       ALA  30   9.067  -1.659   1.853
  225   1HB   ALA  30          3HB       ALA  30   9.387   0.475   0.697
  226   2HB   ALA  30          1HB       ALA  30   7.724   0.406   0.063
  227   3HB   ALA  30          2HB       ALA  30   8.010   0.571   1.806
  228    H    ALA  31           H        ALA  31   6.437  -2.056  -0.520
  229    HA   ALA  31           HA       ALA  31   4.343  -2.188   1.494
  230   1HB   ALA  31          3HB       ALA  31   3.950  -1.377  -0.855
  231   2HB   ALA  31          1HB       ALA  31   4.363  -2.980  -1.488
  232   3HB   ALA  31          2HB       ALA  31   2.920  -2.770  -0.484
  233    H    SER  32           H        SER  32   6.068  -4.692  -0.556
  234    HA   SER  32           HA       SER  32   4.602  -6.909   0.582
  235   1HB   SER  32          1HB       SER  32   6.579  -8.288  -0.097
  236   2HB   SER  32          2HB       SER  32   5.874  -7.320  -1.404
  237    HG   SER  32           HG       SER  32   7.550  -5.916  -1.306
  238    H    GLN  33           H        GLN  33   7.230  -4.951   1.811
  239    HA   GLN  33           HA       GLN  33   7.474  -6.483   4.271
  240   1HB   GLN  33          1HB       GLN  33   8.542  -3.836   3.233
  241   2HB   GLN  33          2HB       GLN  33   8.686  -4.216   4.926
  242   1HG   GLN  33          1HG       GLN  33   9.688  -6.144   2.778
  243   2HG   GLN  33          2HG       GLN  33  10.683  -4.814   3.408
  244   1HE2  GLN  33          2HE2      GLN  33  10.106  -8.086   5.760
  245   2HE2  GLN  33          1HE2      GLN  33   9.697  -8.037   4.052
  246    H    VAL  34           H        VAL  34   5.731  -3.442   3.286
  247    HA   VAL  34           HA       VAL  34   5.190  -2.532   5.804
  248    HB   VAL  34           HB       VAL  34   4.539  -1.513   3.534
  249   1HG1  VAL  34          1HG1      VAL  34   2.667  -3.192   2.860
  250   2HG1  VAL  34          2HG1      VAL  34   1.719  -2.397   4.092
  251   3HG1  VAL  34          3HG1      VAL  34   2.341  -1.476   2.719
  252   1HG2  VAL  34          2HG2      VAL  34   2.806  -1.165   5.924
  253   2HG2  VAL  34          3HG2      VAL  34   4.362  -0.347   5.537
  254   3HG2  VAL  34          1HG2      VAL  34   2.928  -0.047   4.554
  255    H    CYS  35           H        CYS  35   3.481  -4.968   3.878
  256    HA   CYS  35           HA       CYS  35   1.379  -5.468   5.747
  257   1HB   CYS  35          1HB       CYS  35   2.621  -7.418   3.750
  258   2HB   CYS  35          2HB       CYS  35   1.029  -7.494   4.526
  259    H    ASP  36           H        ASP  36   4.526  -7.223   5.143
  260    HA   ASP  36           HA       ASP  36   3.961  -9.230   7.069
  261   1HB   ASP  36          1HB       ASP  36   5.772  -9.230   5.263
  262   2HB   ASP  36          2HB       ASP  36   6.755  -8.295   6.412
  263    H    LYS  37           H        LYS  37   5.469  -6.100   7.324
  264    HA   LYS  37           HA       LYS  37   6.366  -6.194  10.017
  265   1HB   LYS  37          1HB       LYS  37   7.207  -4.974   8.001
  266   2HB   LYS  37          2HB       LYS  37   5.869  -3.834   8.134
  267   1HG   LYS  37          1HG       LYS  37   6.964  -2.619   9.712
  268   2HG   LYS  37          2HG       LYS  37   7.485  -4.061  10.598
  269   1HD   LYS  37          1HD       LYS  37   9.427  -2.880   9.716
  270   2HD   LYS  37          2HD       LYS  37   9.260  -4.486   8.982
  271   1HE   LYS  37          1HE       LYS  37   8.184  -3.316   6.976
  272   2HE   LYS  37          2HE       LYS  37   8.712  -1.786   7.693
  273   1HZ   LYS  37          2HZ       LYS  37  11.012  -2.728   7.622
  274   2HZ   LYS  37          3HZ       LYS  37  10.436  -4.041   6.803
  275   3HZ   LYS  37          1HZ       LYS  37  10.347  -2.552   6.136
  276    H    LEU  38           H        LEU  38   3.373  -4.838   8.527
  277    HA   LEU  38           HA       LEU  38   2.391  -3.726  11.049
  278   1HB   LEU  38          1HB       LEU  38   1.065  -4.399   8.389
  279   2HB   LEU  38          2HB       LEU  38   0.166  -3.767   9.756
  280    HG   LEU  38           HG       LEU  38   2.484  -2.232   8.510
  281   1HD1  LEU  38          2HD1      LEU  38  -0.505  -2.038   7.896
  282   2HD1  LEU  38          3HD1      LEU  38   0.756  -0.943   7.287
  283   3HD1  LEU  38          1HD1      LEU  38   0.755  -2.640   6.794
  284   1HD2  LEU  38          2HD2      LEU  38   0.155  -1.305  10.243
  285   2HD2  LEU  38          3HD2      LEU  38   1.852  -1.465  10.766
  286   3HD2  LEU  38          1HD2      LEU  38   1.416  -0.279   9.533
  287    H    LYS  39           H        LYS  39   2.521  -5.428  12.573
  288    HA   LYS  39           HA       LYS  39   1.654  -8.077  11.837
  289   1HB   LYS  39          1HB       LYS  39   2.055  -8.702  14.169
  290   2HB   LYS  39          2HB       LYS  39   3.391  -7.765  13.510
  291   1HG   LYS  39          1HG       LYS  39   2.567  -5.743  14.726
  292   2HG   LYS  39          2HG       LYS  39   1.241  -6.707  15.405
  293   1HD   LYS  39          1HD       LYS  39   2.895  -8.208  16.497
  294   2HD   LYS  39          2HD       LYS  39   4.221  -7.244  15.810
  295   1HE   LYS  39          1HE       LYS  39   3.405  -5.246  17.047
  296   2HE   LYS  39          2HE       LYS  39   2.085  -6.203  17.732
  297   1HZ   LYS  39          2HZ       LYS  39   4.971  -6.681  18.212
  298   2HZ   LYS  39          3HZ       LYS  39   3.923  -6.001  19.270
  299   3HZ   LYS  39          1HZ       LYS  39   3.744  -7.573  18.851
  300    H    ILE  40           H        ILE  40  -0.107  -9.279  12.902
  301    HA   ILE  40           HA       ILE  40  -2.266  -9.708  13.320
  302    HB   ILE  40           HB       ILE  40  -2.601  -6.813  14.212
  303   1HG1  ILE  40          1HG1      ILE  40  -1.045  -7.936  15.691
  304   2HG1  ILE  40          2HG1      ILE  40  -2.581  -7.665  16.491
  305   1HG2  ILE  40          3HG2      ILE  40  -4.530  -9.140  14.431
  306   2HG2  ILE  40          1HG2      ILE  40  -4.686  -7.588  15.282
  307   3HG2  ILE  40          2HG2      ILE  40  -4.743  -7.632  13.526
  308   1HD1  ILE  40          1HD1      ILE  40  -3.185 -10.070  16.133
  309   2HD1  ILE  40          2HD1      ILE  40  -1.589 -10.332  15.385
  310   3HD1  ILE  40          3HD1      ILE  40  -1.709  -9.855  17.085
  311    H    LEU  41           H        LEU  41  -2.032  -6.437  11.867
  312    HA   LEU  41           HA       LEU  41  -4.234  -6.993  10.073
  313   1HB   LEU  41          1HB       LEU  41  -3.567  -4.897  11.398
  314   2HB   LEU  41          2HB       LEU  41  -2.327  -4.610  10.203
  315    HG   LEU  41           HG       LEU  41  -4.524  -3.309  10.182
  316   1HD1  LEU  41          2HD1      LEU  41  -2.909  -3.175   8.358
  317   2HD1  LEU  41          3HD1      LEU  41  -3.739  -4.511   7.539
  318   3HD1  LEU  41          1HD1      LEU  41  -4.591  -2.983   7.834
  319   1HD2  LEU  41          3HD2      LEU  41  -6.033  -5.263  10.425
  320   2HD2  LEU  41          1HD2      LEU  41  -6.458  -4.202   9.095
  321   3HD2  LEU  41          2HD2      LEU  41  -5.642  -5.746   8.757
  322    H    ARG  42           H        ARG  42  -1.228  -8.072   9.962
  323    HA   ARG  42           HA       ARG  42  -0.050  -7.767   7.473
  324   1HB   ARG  42          1HB       ARG  42   1.010  -8.915   9.341
  325   2HB   ARG  42          2HB       ARG  42  -0.253 -10.145   9.374
  326   1HG   ARG  42          1HG       ARG  42   0.516 -10.975   7.157
  327   2HG   ARG  42          2HG       ARG  42   1.825  -9.796   7.173
  328   1HD   ARG  42          1HD       ARG  42   1.396 -11.949   9.311
  329   2HD   ARG  42          2HD       ARG  42   2.397 -12.168   7.870
  330    HE   ARG  42           HE       ARG  42   3.206  -9.827   9.373
  331   1HH1  ARG  42          2HH2      ARG  42   3.706 -13.381   9.130
  332   2HH1  ARG  42          1HH2      ARG  42   5.339 -13.238   9.686
  333   1HH2  ARG  42          2HH1      ARG  42   5.234  -9.780  10.131
  334   2HH2  ARG  42          1HH1      ARG  42   6.273 -11.013   9.698
  335    H    GLY  43           H        GLY  43  -2.684 -10.024   8.393
  336   1HA   GLY  43          1HA       GLY  43  -2.759 -11.487   5.960
  337   2HA   GLY  43          2HA       GLY  43  -4.099 -11.308   7.102
  338    H    LEU  44           H        LEU  44  -4.544  -8.506   6.954
  339    HA   LEU  44           HA       LEU  44  -6.270  -8.532   4.694
  340   1HB   LEU  44          1HB       LEU  44  -6.496  -7.327   6.989
  341   2HB   LEU  44          2HB       LEU  44  -5.488  -6.065   6.314
  342    HG   LEU  44           HG       LEU  44  -7.873  -5.540   6.301
  343   1HD1  LEU  44          2HD1      LEU  44  -6.568  -4.482   4.528
  344   2HD1  LEU  44          3HD1      LEU  44  -6.921  -5.822   3.427
  345   3HD1  LEU  44          1HD1      LEU  44  -8.229  -4.784   4.026
  346   1HD2  LEU  44          1HD2      LEU  44  -8.736  -7.837   6.059
  347   2HD2  LEU  44          2HD2      LEU  44  -9.500  -6.682   4.975
  348   3HD2  LEU  44          3HD2      LEU  44  -8.303  -7.826   4.336
  349    H    CYS  45           H        CYS  45  -3.329  -6.567   5.410
  350    HA   CYS  45           HA       CYS  45  -2.910  -5.384   2.978
  351   1HB   CYS  45          1HB       CYS  45  -1.850  -5.006   5.218
  352   2HB   CYS  45          2HB       CYS  45  -0.897  -6.453   4.990
  353    H    LYS  46           H        LYS  46  -1.416  -8.568   4.004
  354    HA   LYS  46           HA       LYS  46  -0.228  -8.941   1.447
  355   1HB   LYS  46          1HB       LYS  46  -0.794 -10.882   3.679
  356   2HB   LYS  46          2HB       LYS  46  -0.265 -11.471   2.090
  357   1HG   LYS  46          1HG       LYS  46   1.684 -10.021   2.109
  358   2HG   LYS  46          2HG       LYS  46   1.183  -9.303   3.632
  359   1HD   LYS  46          1HD       LYS  46   1.755 -11.172   4.901
  360   2HD   LYS  46          2HD       LYS  46   1.873 -12.226   3.468
  361   1HE   LYS  46          1HE       LYS  46   3.762 -10.797   2.619
  362   2HE   LYS  46          2HE       LYS  46   3.710  -9.847   4.101
  363   1HZ   LYS  46          2HZ       LYS  46   4.303 -12.756   4.089
  364   2HZ   LYS  46          3HZ       LYS  46   5.441 -11.582   4.020
  365   3HZ   LYS  46          1HZ       LYS  46   4.548 -11.683   5.334
  366    H    LYS  47           H        LYS  47  -3.542  -9.852   2.493
  367    HA   LYS  47           HA       LYS  47  -4.215 -11.104   0.017
  368   1HB   LYS  47          1HB       LYS  47  -5.539 -11.301   2.038
  369   2HB   LYS  47          2HB       LYS  47  -5.949  -9.604   2.038
  370   1HG   LYS  47          1HG       LYS  47  -6.695 -11.444  -0.266
  371   2HG   LYS  47          2HG       LYS  47  -7.648 -11.392   1.204
  372   1HD   LYS  47          1HD       LYS  47  -7.258  -9.027  -0.692
  373   2HD   LYS  47          2HD       LYS  47  -8.644 -10.082  -0.566
  374   1HE   LYS  47          1HE       LYS  47  -9.431  -8.383   0.695
  375   2HE   LYS  47          2HE       LYS  47  -8.695  -9.358   1.968
  376   1HZ   LYS  47          1HZ       LYS  47  -7.472  -7.003   0.650
  377   2HZ   LYS  47          2HZ       LYS  47  -8.153  -7.010   2.138
  378   3HZ   LYS  47          3HZ       LYS  47  -6.762  -7.847   1.872
  379    H    ILE  48           H        ILE  48  -4.068  -7.603   0.809
  380    HA   ILE  48           HA       ILE  48  -5.297  -6.785  -1.705
  381    HB   ILE  48           HB       ILE  48  -3.417  -5.274   0.174
  382   1HG1  ILE  48          1HG1      ILE  48  -6.421  -5.075  -0.332
  383   2HG1  ILE  48          2HG1      ILE  48  -5.665  -5.807   1.075
  384   1HG2  ILE  48          2HG2      ILE  48  -3.204  -4.404  -2.161
  385   2HG2  ILE  48          3HG2      ILE  48  -4.963  -4.168  -2.209
  386   3HG2  ILE  48          1HG2      ILE  48  -3.947  -3.247  -1.084
  387   1HD1  ILE  48          2HD1      ILE  48  -4.638  -3.583   1.649
  388   2HD1  ILE  48          3HD1      ILE  48  -5.647  -2.860   0.376
  389   3HD1  ILE  48          1HD1      ILE  48  -6.409  -3.655   1.757
  390    H    MET  49           H        MET  49  -1.854  -7.053  -0.600
  391    HA   MET  49           HA       MET  49  -0.751  -6.420  -3.096
  392   1HB   MET  49          1HB       MET  49   0.500  -8.275  -1.041
  393   2HB   MET  49          2HB       MET  49   1.328  -7.356  -2.301
  394   1HG   MET  49          1HG       MET  49  -0.086  -6.296   0.150
  395   2HG   MET  49          2HG       MET  49   1.630  -6.206  -0.219
  396   1HE   MET  49          2HE       MET  49   1.257  -3.714   0.762
  397   2HE   MET  49          3HE       MET  49   0.267  -2.478  -0.040
  398   3HE   MET  49          1HE       MET  49  -0.515  -3.836   0.792
  399    H    ARG  50           H        ARG  50  -1.718  -9.675  -1.918
  400    HA   ARG  50           HA       ARG  50  -0.743 -11.300  -3.934
  401   1HB   ARG  50          1HB       ARG  50  -2.286 -11.844  -1.897
  402   2HB   ARG  50          2HB       ARG  50  -3.633 -11.488  -2.957
  403   1HG   ARG  50          1HG       ARG  50  -1.618 -13.739  -3.116
  404   2HG   ARG  50          2HG       ARG  50  -3.336 -13.852  -2.804
  405   1HD   ARG  50          1HD       ARG  50  -1.952 -13.338  -5.447
  406   2HD   ARG  50          2HD       ARG  50  -2.861 -14.760  -4.961
  407    HE   ARG  50           HE       ARG  50  -4.711 -12.693  -4.829
  408   1HH1  ARG  50          2HH2      ARG  50  -2.674 -14.177  -7.311
  409   2HH1  ARG  50          1HH2      ARG  50  -3.682 -13.766  -8.642
  410   1HH2  ARG  50          2HH1      ARG  50  -6.000 -11.880  -6.712
  411   2HH2  ARG  50          1HH1      ARG  50  -5.632 -12.506  -8.252
  412    H    SER  51           H        SER  51  -3.651  -9.207  -4.104
  413    HA   SER  51           HA       SER  51  -3.991 -10.081  -6.940
  414   1HB   SER  51          1HB       SER  51  -5.793 -10.285  -5.088
  415   2HB   SER  51          2HB       SER  51  -5.971  -8.530  -5.255
  416    HG   SER  51           HG       SER  51  -6.416  -8.883  -7.472
  417    H    PHE  52           H        PHE  52  -2.910  -7.273  -5.131
  418    HA   PHE  52           HA       PHE  52  -3.081  -5.621  -7.620
  419   1HB   PHE  52          1HB       PHE  52  -3.879  -4.895  -4.765
  420   2HB   PHE  52          2HB       PHE  52  -3.818  -3.746  -6.064
  421    HD1  PHE  52           HD1      PHE  52  -5.242  -5.429  -8.270
  422    HD2  PHE  52           HD2      PHE  52  -6.113  -4.436  -4.158
  423    HE1  PHE  52           HE1      PHE  52  -7.663  -5.540  -8.741
  424    HE2  PHE  52           HE2      PHE  52  -8.544  -4.503  -4.670
  425    HZ   PHE  52           HZ       PHE  52  -9.314  -5.061  -6.941
  426    H    LEU  53           H        LEU  53  -0.589  -6.970  -6.445
  427    HA   LEU  53           HA       LEU  53   0.738  -5.179  -4.785
  428   1HB   LEU  53          1HB       LEU  53   1.430  -7.571  -5.540
  429   2HB   LEU  53          2HB       LEU  53   2.236  -6.788  -6.876
  430    HG   LEU  53           HG       LEU  53   2.716  -6.328  -3.903
  431   1HD1  LEU  53          3HD1      LEU  53   3.481  -8.511  -4.744
  432   2HD1  LEU  53          1HD1      LEU  53   4.464  -7.691  -5.979
  433   3HD1  LEU  53          2HD1      LEU  53   4.839  -7.484  -4.258
  434   1HD2  LEU  53          1HD2      LEU  53   4.257  -5.062  -6.201
  435   2HD2  LEU  53          2HD2      LEU  53   3.328  -4.230  -4.922
  436   3HD2  LEU  53          3HD2      LEU  53   4.768  -5.110  -4.502
  437    H    ARG  54           H        ARG  54   1.346  -5.371  -8.386
  438    HA   ARG  54           HA       ARG  54   2.804  -2.940  -8.276
  439   1HB   ARG  54          1HB       ARG  54   2.918  -4.767 -10.047
  440   2HB   ARG  54          2HB       ARG  54   1.535  -3.985 -10.824
  441   1HG   ARG  54          1HG       ARG  54   3.710  -2.099 -10.095
  442   2HG   ARG  54          2HG       ARG  54   4.288  -3.365 -11.135
  443   1HD   ARG  54          1HD       ARG  54   1.833  -1.740 -11.875
  444   2HD   ARG  54          2HD       ARG  54   3.454  -1.117 -12.136
  445    HE   ARG  54           HE       ARG  54   2.129  -3.263 -13.600
  446   1HH1  ARG  54          2HH2      ARG  54   5.291  -1.702 -12.910
  447   2HH1  ARG  54          1HH2      ARG  54   6.031  -2.231 -14.347
  448   1HH2  ARG  54          2HH1      ARG  54   3.160  -3.997 -15.563
  449   2HH2  ARG  54          1HH1      ARG  54   4.799  -3.566 -15.869
  450    H    ARG  55           H        ARG  55  -0.664  -3.276  -8.075
  451    HA   ARG  55           HA       ARG  55  -1.280  -0.782  -9.375
  452   1HB   ARG  55          1HB       ARG  55  -2.696  -2.595  -7.426
  453   2HB   ARG  55          2HB       ARG  55  -3.286  -1.010  -7.646
  454   1HG   ARG  55          1HG       ARG  55  -3.073  -3.027  -9.882
  455   2HG   ARG  55          2HG       ARG  55  -4.458  -2.930  -8.814
  456   1HD   ARG  55          1HD       ARG  55  -3.837  -0.362 -10.180
  457   2HD   ARG  55          2HD       ARG  55  -4.239  -1.677 -11.263
  458    HE   ARG  55           HE       ARG  55  -6.271  -1.977  -9.638
  459   1HH1  ARG  55          2HH2      ARG  55  -5.115   1.260 -10.819
  460   2HH1  ARG  55          1HH2      ARG  55  -6.685   1.919 -10.524
  461   1HH2  ARG  55          2HH1      ARG  55  -8.387  -0.861  -9.522
  462   2HH2  ARG  55          1HH1      ARG  55  -8.314   0.858  -9.760
  463    H    ILE  56           H        ILE  56  -0.587  -1.980  -6.002
  464    HA   ILE  56           HA       ILE  56  -0.737   0.568  -4.759
  465    HB   ILE  56           HB       ILE  56   0.429  -2.101  -4.061
  466   1HG1  ILE  56          1HG1      ILE  56  -1.158  -2.077  -2.295
  467   2HG1  ILE  56          2HG1      ILE  56  -1.407  -0.347  -2.434
  468   1HG2  ILE  56          1HG2      ILE  56   0.931   0.399  -2.401
  469   2HG2  ILE  56          2HG2      ILE  56   1.156  -1.277  -1.846
  470   3HG2  ILE  56          3HG2      ILE  56   2.152  -0.647  -3.154
  471   1HD1  ILE  56          2HD1      ILE  56  -2.405  -2.370  -4.452
  472   2HD1  ILE  56          3HD1      ILE  56  -3.354  -1.601  -3.180
  473   3HD1  ILE  56          1HD1      ILE  56  -2.697  -0.623  -4.493
  474    H    SER  57           H        SER  57   1.829  -0.855  -6.739
  475    HA   SER  57           HA       SER  57   3.795   1.114  -6.111
  476   1HB   SER  57          1HB       SER  57   4.061  -1.147  -7.291
  477   2HB   SER  57          2HB       SER  57   3.562  -0.285  -8.765
  478    HG   SER  57           HG       SER  57   5.758  -0.359  -8.476
  479    H    TRP  58           H        TRP  58   1.646   0.904  -9.023
  480    HA   TRP  58           HA       TRP  58   2.017   3.462 -10.041
  481   1HB   TRP  58          1HB       TRP  58   0.645   2.458 -11.496
  482   2HB   TRP  58          2HB       TRP  58  -0.081   1.431 -10.272
  483    HD1  TRP  58           HD1      TRP  58  -0.482   5.069 -11.579
  484    HE1  TRP  58           HE1      TRP  58  -2.847   5.887 -11.049
  485    HE3  TRP  58           HE3      TRP  58  -2.235   0.953  -9.226
  486    HZ2  TRP  58           HZ2      TRP  58  -5.143   4.935  -9.427
  487    HZ3  TRP  58           HZ3      TRP  58  -4.388   0.925  -8.093
  488    HH2  TRP  58           HH2      TRP  58  -5.807   2.903  -8.071
  489    H    ASP  59           H        ASP  59  -0.211   2.548  -7.440
  490    HA   ASP  59           HA       ASP  59  -1.525   4.974  -7.039
  491   1HB   ASP  59          1HB       ASP  59  -0.756   2.751  -5.088
  492   2HB   ASP  59          2HB       ASP  59  -1.550   4.178  -4.523
  493    HD2  ASP  59           HD2      ASP  59  -3.898   1.693  -6.262
  494    H    ILE  60           H        ILE  60   1.442   3.919  -5.270
  495    HA   ILE  60           HA       ILE  60   1.860   6.504  -4.083
  496    HB   ILE  60           HB       ILE  60   3.369   3.921  -4.240
  497   1HG1  ILE  60          1HG1      ILE  60   3.325   4.148  -1.782
  498   2HG1  ILE  60          2HG1      ILE  60   2.539   5.712  -1.909
  499   1HG2  ILE  60          1HG2      ILE  60   4.574   6.520  -3.219
  500   2HG2  ILE  60          2HG2      ILE  60   5.226   4.895  -2.931
  501   3HG2  ILE  60          3HG2      ILE  60   5.158   5.512  -4.570
  502   1HD1  ILE  60          2HD1      ILE  60   1.311   3.059  -2.764
  503   2HD1  ILE  60          3HD1      ILE  60   0.996   3.920  -1.250
  504   3HD1  ILE  60          1HD1      ILE  60   0.496   4.649  -2.774
  505    H    LEU  61           H        LEU  61   3.322   4.907  -6.961
  506    HA   LEU  61           HA       LEU  61   5.200   6.896  -7.550
  507   1HB   LEU  61          1HB       LEU  61   3.608   5.098  -9.416
  508   2HB   LEU  61          2HB       LEU  61   4.957   6.087  -9.955
  509    HG   LEU  61           HG       LEU  61   5.267   3.979  -7.780
  510   1HD1  LEU  61          3HD1      LEU  61   4.480   2.903  -9.867
  511   2HD1  LEU  61          1HD1      LEU  61   5.781   3.704 -10.777
  512   3HD1  LEU  61          2HD1      LEU  61   6.158   2.498  -9.528
  513   1HD2  LEU  61          3HD2      LEU  61   7.073   5.676  -7.860
  514   2HD2  LEU  61          1HD2      LEU  61   7.615   4.070  -8.340
  515   3HD2  LEU  61          2HD2      LEU  61   7.332   5.308  -9.582
  516    H    THR  62           H        THR  62   1.751   6.808  -8.437
  517    HA   THR  62           HA       THR  62   2.009   9.465  -9.731
  518    HB   THR  62           HB       THR  62  -0.276   9.152 -10.474
  519    HG1  THR  62           HG1      THR  62  -0.120   6.596  -9.244
  520   1HG2  THR  62          1HG2      THR  62   1.596   8.291 -11.846
  521   2HG2  THR  62          2HG2      THR  62   1.412   6.694 -11.096
  522   3HG2  THR  62          3HG2      THR  62   0.098   7.379 -12.081
  523    H    GLY  63           H        GLY  63   2.464   9.132  -6.869
  524   1HA   GLY  63          1HA       GLY  63   1.953   9.939  -4.833
  525   2HA   GLY  63          2HA       GLY  63   1.712  11.423  -5.762
  526    H    LYS  64           H        LYS  64  -0.330   8.393  -5.410
  527    HA   LYS  64           HA       LYS  64  -2.635  10.229  -5.299
  528   1HB   LYS  64          1HB       LYS  64  -2.298   7.940  -6.547
  529   2HB   LYS  64          2HB       LYS  64  -2.603   7.198  -5.022
  530   1HG   LYS  64          1HG       LYS  64  -4.673   7.159  -6.086
  531   2HG   LYS  64          2HG       LYS  64  -4.820   8.553  -5.011
  532   1HD   LYS  64          1HD       LYS  64  -5.748   9.023  -7.230
  533   2HD   LYS  64          2HD       LYS  64  -4.371  10.082  -6.944
  534   1HE   LYS  64          1HE       LYS  64  -3.922   7.438  -8.343
  535   2HE   LYS  64          2HE       LYS  64  -4.748   8.705  -9.248
  536   1HZ   LYS  64          3HZ       LYS  64  -2.130   9.257  -7.967
  537   2HZ   LYS  64          1HZ       LYS  64  -2.206   8.547  -9.396
  538   3HZ   LYS  64          2HZ       LYS  64  -2.847  10.056  -9.191
  539    H    LYS  65           H        LYS  65  -3.967  10.336  -3.544
  540    HA   LYS  65           HA       LYS  65  -2.630   9.878  -0.943
  541   1HB   LYS  65          1HB       LYS  65  -5.341  11.167  -1.450
  542   2HB   LYS  65          2HB       LYS  65  -4.489  11.149   0.085
  543   1HG   LYS  65          1HG       LYS  65  -3.789  12.642  -2.443
  544   2HG   LYS  65          2HG       LYS  65  -4.052  13.286  -0.835
  545   1HD   LYS  65          1HD       LYS  65  -1.602  11.692  -1.748
  546   2HD   LYS  65          2HD       LYS  65  -1.697  13.431  -1.585
  547   1HE   LYS  65          1HE       LYS  65  -1.839  13.366   0.775
  548   2HE   LYS  65          2HE       LYS  65  -2.221  11.634   0.807
  549   1HZ   LYS  65          2HZ       LYS  65   0.383  12.495  -0.251
  550   2HZ   LYS  65          3HZ       LYS  65   0.130  12.296   1.373
  551   3HZ   LYS  65          1HZ       LYS  65  -0.085  11.045   0.420
  552    HA   PRO  66           HA       PRO  66  -4.118   6.009   0.139
  553   1HB   PRO  66          1HB       PRO  66  -5.003   6.253   2.797
  554   2HB   PRO  66          2HB       PRO  66  -3.309   6.104   2.273
  555   1HG   PRO  66          1HG       PRO  66  -4.837   8.642   2.849
  556   2HG   PRO  66          2HG       PRO  66  -3.179   8.183   3.365
  557   1HD   PRO  66          1HD       PRO  66  -3.450   9.780   1.279
  558   2HD   PRO  66          2HD       PRO  66  -2.338   8.381   1.126
  559    H    GLN  67           H        GLN  67  -6.497   8.387   1.362
  560    HA   GLN  67           HA       GLN  67  -8.669   6.575   1.465
  561   1HB   GLN  67          1HB       GLN  67  -8.329   9.004   2.453
  562   2HB   GLN  67          2HB       GLN  67  -8.916   9.559   0.888
  563   1HG   GLN  67          1HG       GLN  67 -10.768   9.512   2.424
  564   2HG   GLN  67          2HG       GLN  67 -11.014   8.210   1.256
  565   1HE2  GLN  67          2HE2      GLN  67 -11.480   5.959   3.955
  566   2HE2  GLN  67          1HE2      GLN  67 -12.033   6.564   2.416
  567    H    ALA  68           H        ALA  68  -7.299   8.412  -1.229
  568    HA   ALA  68           HA       ALA  68  -9.545   7.832  -3.027
  569   1HB   ALA  68          2HB       ALA  68  -8.268   9.926  -3.297
  570   2HB   ALA  68          3HB       ALA  68  -6.771   8.997  -3.561
  571   3HB   ALA  68          1HB       ALA  68  -8.105   8.890  -4.726
  572    H    ILE  69           H        ILE  69  -6.198   6.597  -2.376
  573    HA   ILE  69           HA       ILE  69  -6.027   4.827  -4.556
  574    HB   ILE  69           HB       ILE  69  -4.936   4.695  -1.701
  575   1HG1  ILE  69          1HG1      ILE  69  -3.498   5.173  -4.314
  576   2HG1  ILE  69          2HG1      ILE  69  -4.186   6.463  -3.427
  577   1HG2  ILE  69          3HG2      ILE  69  -4.620   2.676  -3.917
  578   2HG2  ILE  69          1HG2      ILE  69  -3.322   2.899  -2.735
  579   3HG2  ILE  69          2HG2      ILE  69  -4.929   2.406  -2.202
  580   1HD1  ILE  69          1HD1      ILE  69  -2.132   4.619  -2.150
  581   2HD1  ILE  69          2HD1      ILE  69  -1.708   6.053  -3.076
  582   3HD1  ILE  69          3HD1      ILE  69  -2.686   6.225  -1.616
  583    H    CYS  70           H        CYS  70  -7.346   4.118  -1.298
  584    HA   CYS  70           HA       CYS  70  -8.118   1.424  -1.812
  585   1HB   CYS  70          1HB       CYS  70  -9.319   3.514   0.055
  586   2HB   CYS  70          2HB       CYS  70  -9.592   1.768   0.156
  587    H    VAL  71           H        VAL  71  -9.897   4.503  -2.418
  588    HA   VAL  71           HA       VAL  71 -12.309   3.180  -3.184
  589    HB   VAL  71           HB       VAL  71 -11.208   5.972  -3.347
  590   1HG1  VAL  71          1HG1      VAL  71 -12.528   5.808  -5.428
  591   2HG1  VAL  71          2HG1      VAL  71 -13.942   5.277  -4.495
  592   3HG1  VAL  71          3HG1      VAL  71 -13.260   6.883  -4.237
  593   1HG2  VAL  71          2HG2      VAL  71 -12.102   5.094  -1.205
  594   2HG2  VAL  71          3HG2      VAL  71 -13.097   6.420  -1.822
  595   3HG2  VAL  71          1HG2      VAL  71 -13.656   4.743  -1.993
  596    H    ASP  72           H        ASP  72  -9.489   4.361  -5.094
  597    HA   ASP  72           HA       ASP  72 -10.522   3.820  -7.670
  598   1HB   ASP  72          1HB       ASP  72  -8.377   5.064  -7.104
  599   2HB   ASP  72          2HB       ASP  72  -7.630   3.527  -6.754
  600    H    ILE  73           H        ILE  73  -8.459   1.767  -5.581
  601    HA   ILE  73           HA       ILE  73  -8.761  -0.472  -7.423
  602    HB   ILE  73           HB       ILE  73  -7.224  -1.657  -6.073
  603   1HG1  ILE  73          1HG1      ILE  73  -7.737   0.491  -3.965
  604   2HG1  ILE  73          2HG1      ILE  73  -8.023  -1.230  -3.861
  605   1HG2  ILE  73          2HG2      ILE  73  -6.498   0.283  -7.545
  606   2HG2  ILE  73          3HG2      ILE  73  -6.261   1.216  -6.069
  607   3HG2  ILE  73          1HG2      ILE  73  -5.332  -0.284  -6.343
  608   1HD1  ILE  73          3HD1      ILE  73  -5.576  -1.628  -4.102
  609   2HD1  ILE  73          1HD1      ILE  73  -5.323   0.139  -4.036
  610   3HD1  ILE  73          2HD1      ILE  73  -6.013  -0.696  -2.638
  611    H    LYS  74           H        LYS  74 -10.793   0.719  -5.181
  612    HA   LYS  74           HA       LYS  74 -12.670   0.335  -4.411
  613   1HB   LYS  74          1HB       LYS  74 -12.873  -0.325  -6.803
  614   2HB   LYS  74          2HB       LYS  74 -12.767  -2.032  -6.312
  615   1HG   LYS  74          1HG       LYS  74 -14.641  -1.783  -4.880
  616   2HG   LYS  74          2HG       LYS  74 -14.762  -0.079  -5.153
  617   1HD   LYS  74          1HD       LYS  74 -15.355  -2.129  -7.238
  618   2HD   LYS  74          2HD       LYS  74 -16.515  -1.085  -6.422
  619   1HE   LYS  74          1HE       LYS  74 -14.357  -0.303  -8.428
  620   2HE   LYS  74          2HE       LYS  74 -16.108  -0.191  -8.632
  621   1HZ   LYS  74          1HZ       LYS  74 -16.088   1.520  -6.869
  622   2HZ   LYS  74          2HZ       LYS  74 -14.452   1.440  -6.796
  623   3HZ   LYS  74          3HZ       LYS  74 -15.173   1.962  -8.167
  624    H    ILE  75           H        ILE  75 -11.957   0.069  -2.401
  625    HA   ILE  75           HA       ILE  75 -12.225  -2.633  -1.165
  626    HB   ILE  75           HB       ILE  75  -9.879  -0.709  -0.970
  627   1HG1  ILE  75          1HG1      ILE  75 -10.065  -3.636  -1.864
  628   2HG1  ILE  75          2HG1      ILE  75  -9.758  -2.241  -2.892
  629   1HG2  ILE  75          1HG2      ILE  75 -10.316  -3.192   0.733
  630   2HG2  ILE  75          2HG2      ILE  75  -8.818  -2.250   0.679
  631   3HG2  ILE  75          3HG2      ILE  75 -10.254  -1.502   1.309
  632   1HD1  ILE  75          1HD1      ILE  75  -7.655  -1.824  -1.495
  633   2HD1  ILE  75          2HD1      ILE  75  -7.897  -3.469  -0.870
  634   3HD1  ILE  75          3HD1      ILE  75  -7.652  -3.219  -2.603
  635    H    CYS  76           H        CYS  76 -12.770   0.829  -0.954
  636    HA   CYS  76           HA       CYS  76 -12.832   0.830   1.975
  637   1HB   CYS  76          1HB       CYS  76 -11.962   2.769   0.684
  638   2HB   CYS  76          2HB       CYS  76 -13.518   2.943  -0.108
  639    H    LYS  77           H        LYS  77 -15.064   1.688  -0.544
  640    HA   LYS  77           HA       LYS  77 -17.326   0.699  -0.554
  641   1HB   LYS  77          1HB       LYS  77 -17.766   0.721   1.931
  642   2HB   LYS  77          2HB       LYS  77 -17.803   2.489   1.879
  643   1HG   LYS  77          1HG       LYS  77 -19.528   1.275  -0.218
  644   2HG   LYS  77          2HG       LYS  77 -19.883   0.616   1.355
  645   1HD   LYS  77          1HD       LYS  77 -21.422   2.327   1.106
  646   2HD   LYS  77          2HD       LYS  77 -20.224   2.963   2.219
  647   1HE   LYS  77          1HE       LYS  77 -20.924   4.713   0.711
  648   2HE   LYS  77          2HE       LYS  77 -19.251   4.330   0.387
  649   1HZ   LYS  77          3HZ       LYS  77 -20.090   2.982  -1.572
  650   2HZ   LYS  77          1HZ       LYS  77 -21.581   3.636  -1.313
  651   3HZ   LYS  77          2HZ       LYS  77 -20.237   4.509  -1.703
  652    H    GLU  78           H        GLU  78 -16.763   1.567  -2.293
  653    HA   GLU  78           HA       GLU  78 -16.643   4.381  -2.965
  654   1HB   GLU  78          1HB       GLU  78 -16.990   1.791  -4.597
  655   2HB   GLU  78          2HB       GLU  78 -16.541   3.371  -5.238
  656   1HG   GLU  78          1HG       GLU  78 -14.557   2.009  -5.076
  657   2HG   GLU  78          2HG       GLU  78 -14.448   3.315  -3.935
   
  No H/Q in entry =         657
  Start of MODEL   18
    1   1H    GLY   1          2H        GLY   1 -16.889   0.459   3.988
    2   2H    GLY   1          3H        GLY   1 -15.919  -0.343   2.948
    3   3H    GLY   1          1H        GLY   1 -17.541  -0.610   2.911
    4   1HA   GLY   1          1HA       GLY   1 -17.513  -1.596   5.102
    5   2HA   GLY   1          2HA       GLY   1 -16.407  -2.442   3.998
    6    H    TYR   2           H        TYR   2 -15.825  -2.829   6.662
    7    HA   TYR   2           HA       TYR   2 -14.023  -1.158   7.962
    8   1HB   TYR   2          1HB       TYR   2 -14.743  -3.225   8.947
    9   2HB   TYR   2          2HB       TYR   2 -14.116  -4.167   7.600
   10    HD1  TYR   2           HD2      TYR   2 -12.506  -1.516   9.822
   11    HD2  TYR   2           HD1      TYR   2 -12.435  -5.599   8.383
   12    HE1  TYR   2           HE2      TYR   2 -10.434  -1.913  11.057
   13    HE2  TYR   2           HE1      TYR   2 -10.357  -6.000   9.655
   14    HH   TYR   2           HH       TYR   2  -8.996  -3.565  11.855
   15    H    PHE   3           H        PHE   3 -13.517  -3.147   5.088
   16    HA   PHE   3           HA       PHE   3 -10.868  -3.048   4.598
   17   1HB   PHE   3          1HB       PHE   3 -13.254  -2.690   2.785
   18   2HB   PHE   3          2HB       PHE   3 -11.636  -2.611   2.159
   19    HD1  PHE   3           HD1      PHE   3 -10.068  -4.474   2.269
   20    HD2  PHE   3           HD2      PHE   3 -14.244  -4.912   3.298
   21    HE1  PHE   3           HE1      PHE   3  -9.920  -6.906   1.839
   22    HE2  PHE   3           HE2      PHE   3 -14.066  -7.354   2.912
   23    HZ   PHE   3           HZ       PHE   3 -11.923  -8.344   2.167
   24    H    CYS   4           H        CYS   4 -12.999  -0.112   4.307
   25    HA   CYS   4           HA       CYS   4 -11.029   1.390   2.879
   26   1HB   CYS   4          1HB       CYS   4 -13.530   1.998   3.263
   27   2HB   CYS   4          2HB       CYS   4 -13.001   2.648   4.811
   28    H    GLU   5           H        GLU   5 -11.709   1.073   6.390
   29    HA   GLU   5           HA       GLU   5  -9.720   2.916   7.306
   30   1HB   GLU   5          1HB       GLU   5 -11.744   2.102   8.545
   31   2HB   GLU   5          2HB       GLU   5 -11.008   0.514   8.698
   32   1HG   GLU   5          1HG       GLU   5  -9.899   3.120   9.834
   33   2HG   GLU   5          2HG       GLU   5 -10.810   1.910  10.745
   34    H    SER   6           H        SER   6  -9.817  -0.640   7.006
   35    HA   SER   6           HA       SER   6  -7.199  -1.231   7.817
   36   1HB   SER   6          1HB       SER   6  -8.949  -2.586   5.725
   37   2HB   SER   6          2HB       SER   6  -7.460  -3.267   6.401
   38    HG   SER   6           HG       SER   6  -9.665  -2.473   8.023
   39    H    CYS   7           H        CYS   7  -8.359  -0.576   4.490
   40    HA   CYS   7           HA       CYS   7  -5.883  -0.865   3.143
   41   1HB   CYS   7          1HB       CYS   7  -8.020  -1.042   2.073
   42   2HB   CYS   7          2HB       CYS   7  -8.452   0.612   2.494
   43    H    ARG   8           H        ARG   8  -7.580   2.077   4.452
   44    HA   ARG   8           HA       ARG   8  -5.647   3.949   3.614
   45   1HB   ARG   8          1HB       ARG   8  -7.887   4.555   4.640
   46   2HB   ARG   8          2HB       ARG   8  -7.263   4.033   6.208
   47   1HG   ARG   8          1HG       ARG   8  -5.301   5.773   5.582
   48   2HG   ARG   8          2HG       ARG   8  -6.551   6.468   4.565
   49   1HD   ARG   8          1HD       ARG   8  -7.929   6.966   6.468
   50   2HD   ARG   8          2HD       ARG   8  -6.964   5.919   7.531
   51    HE   ARG   8           HE       ARG   8  -5.117   7.757   6.642
   52   1HH1  ARG   8          2HH2      ARG   8  -8.179   8.100   8.413
   53   2HH1  ARG   8          1HH2      ARG   8  -7.654   9.506   9.266
   54   1HH2  ARG   8          2HH1      ARG   8  -4.423   9.481   7.747
   55   2HH2  ARG   8          1HH1      ARG   8  -5.420  10.364   8.858
   56    H    LYS   9           H        LYS   9  -5.843   2.109   6.718
   57    HA   LYS   9           HA       LYS   9  -3.442   3.164   7.785
   58   1HB   LYS   9          1HB       LYS   9  -5.236   2.070   9.039
   59   2HB   LYS   9          2HB       LYS   9  -4.847   0.511   8.287
   60   1HG   LYS   9          1HG       LYS   9  -2.835   0.289   9.498
   61   2HG   LYS   9          2HG       LYS   9  -2.731   2.026   9.810
   62   1HD   LYS   9          1HD       LYS   9  -3.244   0.946  11.873
   63   2HD   LYS   9          2HD       LYS   9  -4.629   1.905  11.384
   64   1HE   LYS   9          1HE       LYS   9  -4.385  -1.135  11.123
   65   2HE   LYS   9          2HE       LYS   9  -5.253  -0.252  12.395
   66   1HZ   LYS   9          2HZ       LYS   9  -6.660   0.708  10.645
   67   2HZ   LYS   9          3HZ       LYS   9  -6.007  -0.257   9.538
   68   3HZ   LYS   9          1HZ       LYS   9  -6.899  -0.838  10.796
   69    H    ILE  10           H        ILE  10  -3.951   0.279   5.717
   70    HA   ILE  10           HA       ILE  10  -1.272  -0.682   5.823
   71    HB   ILE  10           HB       ILE  10  -3.506  -1.054   3.822
   72   1HG1  ILE  10          1HG1      ILE  10  -2.139  -3.035   5.717
   73   2HG1  ILE  10          2HG1      ILE  10  -3.510  -2.069   6.212
   74   1HG2  ILE  10          2HG2      ILE  10  -0.749  -2.370   3.803
   75   2HG2  ILE  10          3HG2      ILE  10  -2.124  -2.879   2.798
   76   3HG2  ILE  10          1HG2      ILE  10  -1.405  -1.296   2.554
   77   1HD1  ILE  10          2HD1      ILE  10  -4.899  -3.062   4.410
   78   2HD1  ILE  10          3HD1      ILE  10  -3.537  -4.113   3.964
   79   3HD1  ILE  10          1HD1      ILE  10  -4.281  -4.268   5.550
   80    H    ILE  11           H        ILE  11  -2.819   1.495   3.322
   81    HA   ILE  11           HA       ILE  11  -0.259   1.909   2.121
   82    HB   ILE  11           HB       ILE  11  -2.895   3.280   1.781
   83   1HG1  ILE  11          1HG1      ILE  11  -1.539   2.530  -0.664
   84   2HG1  ILE  11          2HG1      ILE  11  -1.273   1.200   0.441
   85   1HG2  ILE  11          3HG2      ILE  11  -1.237   5.151   1.681
   86   2HG2  ILE  11          1HG2      ILE  11  -0.266   4.222   0.535
   87   3HG2  ILE  11          2HG2      ILE  11  -1.898   4.765   0.111
   88   1HD1  ILE  11          2HD1      ILE  11  -3.968   2.381  -0.259
   89   2HD1  ILE  11          3HD1      ILE  11  -3.256   0.887  -0.922
   90   3HD1  ILE  11          1HD1      ILE  11  -3.670   0.975   0.808
   91    H    GLN  12           H        GLN  12  -1.956   3.830   4.705
   92    HA   GLN  12           HA       GLN  12  -0.197   6.006   4.626
   93   1HB   GLN  12          1HB       GLN  12  -1.610   4.722   6.991
   94   2HB   GLN  12          2HB       GLN  12  -0.719   6.235   7.131
   95   1HG   GLN  12          1HG       GLN  12  -2.769   6.110   4.945
   96   2HG   GLN  12          2HG       GLN  12  -3.346   6.073   6.608
   97   1HE2  GLN  12          2HE2      GLN  12  -1.313   9.527   5.521
   98   2HE2  GLN  12          1HE2      GLN  12  -0.873   8.088   4.683
   99    H    LYS  13           H        LYS  13   0.284   2.872   6.342
  100    HA   LYS  13           HA       LYS  13   2.777   3.864   7.443
  101   1HB   LYS  13          1HB       LYS  13   1.256   1.969   8.379
  102   2HB   LYS  13          2HB       LYS  13   2.005   0.943   7.159
  103   1HG   LYS  13          1HG       LYS  13   3.065   0.624   9.306
  104   2HG   LYS  13          2HG       LYS  13   4.235   1.324   8.201
  105   1HD   LYS  13          1HD       LYS  13   2.650   3.211   9.961
  106   2HD   LYS  13          2HD       LYS  13   3.869   2.190  10.738
  107   1HE   LYS  13          1HE       LYS  13   5.630   3.042   9.263
  108   2HE   LYS  13          2HE       LYS  13   4.484   3.964   8.335
  109   1HZ   LYS  13          1HZ       LYS  13   5.190   4.556  11.160
  110   2HZ   LYS  13          2HZ       LYS  13   5.634   5.339   9.781
  111   3HZ   LYS  13          3HZ       LYS  13   4.131   5.421  10.191
  112    H    LEU  14           H        LEU  14   1.867   2.325   4.414
  113    HA   LEU  14           HA       LEU  14   4.566   1.573   3.650
  114   1HB   LEU  14          1HB       LEU  14   2.540   0.514   2.672
  115   2HB   LEU  14          2HB       LEU  14   2.051   2.053   1.988
  116    HG   LEU  14           HG       LEU  14   3.884   2.095   0.437
  117   1HD1  LEU  14          3HD1      LEU  14   4.901  -0.370   1.908
  118   2HD1  LEU  14          1HD1      LEU  14   5.458   0.115   0.285
  119   3HD1  LEU  14          2HD1      LEU  14   5.747   1.167   1.663
  120   1HD2  LEU  14          1HD2      LEU  14   1.873   0.767  -0.119
  121   2HD2  LEU  14          2HD2      LEU  14   3.321   0.068  -0.855
  122   3HD2  LEU  14          3HD2      LEU  14   2.620  -0.680   0.596
  123    H    GLU  15           H        GLU  15   2.425   4.319   3.029
  124    HA   GLU  15           HA       GLU  15   3.960   5.836   1.244
  125   1HB   GLU  15          1HB       GLU  15   1.521   5.944   1.710
  126   2HB   GLU  15          2HB       GLU  15   1.833   6.393   3.377
  127   1HG   GLU  15          1HG       GLU  15   2.555   8.626   2.665
  128   2HG   GLU  15          2HG       GLU  15   2.298   8.169   0.970
  129    H    ASP  16           H        ASP  16   3.614   6.106   4.806
  130    HA   ASP  16           HA       ASP  16   5.687   7.948   5.326
  131   1HB   ASP  16          1HB       ASP  16   4.125   7.349   7.037
  132   2HB   ASP  16          2HB       ASP  16   4.354   5.629   6.771
  133    H    MET  17           H        MET  17   5.933   4.429   4.796
  134    HA   MET  17           HA       MET  17   8.712   4.431   5.691
  135   1HB   MET  17          1HB       MET  17   6.847   2.321   4.550
  136   2HB   MET  17          2HB       MET  17   8.588   2.028   4.698
  137   1HG   MET  17          1HG       MET  17   8.563   2.485   7.059
  138   2HG   MET  17          2HG       MET  17   6.876   2.981   7.011
  139   1HE   MET  17          1HE       MET  17   9.284  -0.101   6.280
  140   2HE   MET  17          2HE       MET  17   8.128  -1.456   6.282
  141   3HE   MET  17          3HE       MET  17   8.091  -0.265   4.971
  142    H    VAL  18           H        VAL  18   7.099   4.102   2.447
  143    HA   VAL  18           HA       VAL  18   9.661   3.665   1.177
  144    HB   VAL  18           HB       VAL  18   7.330   2.900   0.406
  145   1HG1  VAL  18          2HG1      VAL  18   6.202   5.095   0.381
  146   2HG1  VAL  18          3HG1      VAL  18   7.257   5.593  -0.951
  147   3HG1  VAL  18          1HG1      VAL  18   6.142   4.238  -1.178
  148   1HG2  VAL  18          1HG2      VAL  18   9.482   3.924  -1.419
  149   2HG2  VAL  18          2HG2      VAL  18   9.196   2.295  -0.791
  150   3HG2  VAL  18          3HG2      VAL  18   8.086   2.967  -1.988
  151    H    GLY  19           H        GLY  19   7.623   6.466   1.983
  152   1HA   GLY  19          1HA       GLY  19   8.249   8.603   2.297
  153   2HA   GLY  19          2HA       GLY  19   9.888   8.235   1.726
  154    HA   PRO  20           HA       PRO  20   7.607  10.595  -1.594
  155   1HB   PRO  20          1HB       PRO  20   9.401  12.582  -2.087
  156   2HB   PRO  20          2HB       PRO  20   8.326  12.630  -0.654
  157   1HG   PRO  20          1HG       PRO  20  11.203  11.661  -0.797
  158   2HG   PRO  20          2HG       PRO  20  10.482  12.811   0.377
  159   1HD   PRO  20          1HD       PRO  20  10.775  10.125   0.871
  160   2HD   PRO  20          2HD       PRO  20   9.391  11.083   1.535
  161    H    GLN  21           H        GLN  21   8.248  10.997  -3.667
  162    HA   GLN  21           HA       GLN  21   8.629   9.917  -5.738
  163   1HB   GLN  21          1HB       GLN  21  11.303  11.033  -4.829
  164   2HB   GLN  21          2HB       GLN  21  10.950  10.546  -6.495
  165   1HG   GLN  21          1HG       GLN  21   9.230  12.211  -6.735
  166   2HG   GLN  21          2HG       GLN  21   9.274  12.610  -5.017
  167   1HE2  GLN  21          2HE2      GLN  21  12.626  13.874  -7.019
  168   2HE2  GLN  21          1HE2      GLN  21  12.125  12.205  -7.264
  169    HA   PRO  22           HA       PRO  22  10.584   5.940  -4.293
  170   1HB   PRO  22          1HB       PRO  22   8.518   4.304  -3.957
  171   2HB   PRO  22          2HB       PRO  22   8.881   5.586  -2.756
  172   1HG   PRO  22          1HG       PRO  22   6.864   5.725  -5.020
  173   2HG   PRO  22          2HG       PRO  22   6.611   6.033  -3.260
  174   1HD   PRO  22          1HD       PRO  22   7.184   8.057  -5.040
  175   2HD   PRO  22          2HD       PRO  22   7.714   8.067  -3.328
  176    H    ASN  23           H        ASN  23   9.997   3.633  -5.514
  177    HA   ASN  23           HA       ASN  23   9.033   4.071  -8.243
  178   1HB   ASN  23          1HB       ASN  23  10.898   2.970  -9.286
  179   2HB   ASN  23          2HB       ASN  23  11.506   4.354  -8.377
  180   1HD2  ASN  23          2HD2      ASN  23  13.312   2.318  -6.068
  181   2HD2  ASN  23          1HD2      ASN  23  13.014   3.940  -6.659
  182    H    GLU  24           H        GLU  24   8.628   1.951  -9.281
  183    HA   GLU  24           HA       GLU  24   6.821   0.363  -8.011
  184   1HB   GLU  24          1HB       GLU  24   7.220   0.566 -10.442
  185   2HB   GLU  24          2HB       GLU  24   8.747  -0.243 -10.270
  186   1HG   GLU  24          1HG       GLU  24   7.455  -1.923 -11.155
  187   2HG   GLU  24          2HG       GLU  24   7.351  -2.327  -9.451
  188    H    ASP  25           H        ASP  25  10.392  -0.312  -8.021
  189    HA   ASP  25           HA       ASP  25  10.010  -2.939  -6.797
  190   1HB   ASP  25          1HB       ASP  25  12.050  -2.694  -8.022
  191   2HB   ASP  25          2HB       ASP  25  12.479  -1.206  -7.162
  192    H    THR  26           H        THR  26  11.264   0.246  -5.694
  193    HA   THR  26           HA       THR  26  11.580  -0.553  -3.049
  194    HB   THR  26           HB       THR  26  10.992   2.284  -3.983
  195    HG1  THR  26           HG1      THR  26  13.155   0.496  -4.301
  196   1HG2  THR  26          2HG2      THR  26  11.268   1.980  -1.492
  197   2HG2  THR  26          3HG2      THR  26  12.828   1.199  -1.779
  198   3HG2  THR  26          1HG2      THR  26  12.591   2.905  -2.214
  199    H    VAL  27           H        VAL  27   8.613   0.642  -4.616
  200    HA   VAL  27           HA       VAL  27   7.081   0.763  -2.152
  201    HB   VAL  27           HB       VAL  27   6.156   0.359  -5.046
  202   1HG1  VAL  27          2HG1      VAL  27   4.540   1.120  -2.571
  203   2HG1  VAL  27          3HG1      VAL  27   3.928   1.144  -4.236
  204   3HG1  VAL  27          1HG1      VAL  27   4.388  -0.392  -3.498
  205   1HG2  VAL  27          2HG2      VAL  27   7.261   2.563  -4.666
  206   2HG2  VAL  27          3HG2      VAL  27   5.545   2.738  -5.001
  207   3HG2  VAL  27          1HG2      VAL  27   6.142   2.892  -3.334
  208    H    THR  28           H        THR  28   7.665  -1.842  -4.589
  209    HA   THR  28           HA       THR  28   5.940  -3.771  -3.438
  210    HB   THR  28           HB       THR  28   8.464  -4.105  -5.127
  211    HG1  THR  28           HG1      THR  28   7.053  -3.000  -6.321
  212   1HG2  THR  28          3HG2      THR  28   6.176  -6.034  -4.557
  213   2HG2  THR  28          1HG2      THR  28   7.420  -6.245  -5.813
  214   3HG2  THR  28          2HG2      THR  28   7.886  -6.247  -4.108
  215    H    GLN  29           H        GLN  29   9.516  -3.274  -2.960
  216    HA   GLN  29           HA       GLN  29   9.616  -5.402  -1.033
  217   1HB   GLN  29          1HB       GLN  29  11.841  -4.527  -0.406
  218   2HB   GLN  29          2HB       GLN  29  11.648  -4.963  -2.099
  219   1HG   GLN  29          1HG       GLN  29  11.730  -2.754  -2.838
  220   2HG   GLN  29          2HG       GLN  29  11.409  -2.074  -1.232
  221   1HE2  GLN  29          2HE2      GLN  29  15.222  -2.596  -2.354
  222   2HE2  GLN  29          1HE2      GLN  29  13.883  -2.671  -3.491
  223    H    ALA  30           H        ALA  30   9.406  -1.774  -0.612
  224    HA   ALA  30           HA       ALA  30   9.516  -1.822   2.193
  225   1HB   ALA  30          3HB       ALA  30   9.675   0.261   0.897
  226   2HB   ALA  30          1HB       ALA  30   7.975   0.100   0.395
  227   3HB   ALA  30          2HB       ALA  30   8.380   0.372   2.102
  228    H    ALA  31           H        ALA  31   6.735  -2.310  -0.006
  229    HA   ALA  31           HA       ALA  31   4.770  -2.554   2.030
  230   1HB   ALA  31          1HB       ALA  31   4.203  -2.218  -0.374
  231   2HB   ALA  31          2HB       ALA  31   4.813  -3.836  -0.757
  232   3HB   ALA  31          3HB       ALA  31   3.392  -3.647   0.292
  233    H    SER  32           H        SER  32   6.864  -5.081   0.434
  234    HA   SER  32           HA       SER  32   5.615  -7.264   1.754
  235   1HB   SER  32          1HB       SER  32   7.461  -8.566   1.102
  236   2HB   SER  32          2HB       SER  32   7.353  -7.316  -0.142
  237    HG   SER  32           HG       SER  32   9.065  -6.191   1.081
  238    H    GLN  33           H        GLN  33   7.979  -4.954   3.020
  239    HA   GLN  33           HA       GLN  33   7.997  -6.272   5.646
  240   1HB   GLN  33          1HB       GLN  33   9.322  -3.798   4.504
  241   2HB   GLN  33          2HB       GLN  33   9.257  -4.074   6.244
  242   1HG   GLN  33          1HG       GLN  33  11.376  -4.868   5.324
  243   2HG   GLN  33          2HG       GLN  33  10.452  -6.189   6.041
  244   1HE2  GLN  33          2HE2      GLN  33  10.167  -7.879   2.918
  245   2HE2  GLN  33          1HE2      GLN  33   9.911  -8.016   4.674
  246    H    VAL  34           H        VAL  34   6.275  -3.488   4.107
  247    HA   VAL  34           HA       VAL  34   5.401  -2.275   6.452
  248    HB   VAL  34           HB       VAL  34   4.960  -1.549   3.999
  249   1HG1  VAL  34          3HG1      VAL  34   3.237  -3.426   3.375
  250   2HG1  VAL  34          1HG1      VAL  34   2.144  -2.539   4.401
  251   3HG1  VAL  34          2HG1      VAL  34   2.856  -1.757   2.991
  252   1HG2  VAL  34          1HG2      VAL  34   3.088  -1.052   6.266
  253   2HG2  VAL  34          2HG2      VAL  34   4.522  -0.110   5.714
  254   3HG2  VAL  34          3HG2      VAL  34   3.047  -0.165   4.732
  255    H    CYS  35           H        CYS  35   4.131  -5.014   4.631
  256    HA   CYS  35           HA       CYS  35   1.887  -5.589   6.302
  257   1HB   CYS  35          1HB       CYS  35   3.496  -7.493   4.572
  258   2HB   CYS  35          2HB       CYS  35   1.863  -7.725   5.222
  259    H    ASP  36           H        ASP  36   5.322  -6.906   6.312
  260    HA   ASP  36           HA       ASP  36   4.786  -8.683   8.483
  261   1HB   ASP  36          1HB       ASP  36   6.972  -8.587   7.182
  262   2HB   ASP  36          2HB       ASP  36   7.439  -7.249   8.250
  263    H    LYS  37           H        LYS  37   5.721  -5.279   8.474
  264    HA   LYS  37           HA       LYS  37   6.036  -4.953  11.282
  265   1HB   LYS  37          1HB       LYS  37   6.979  -3.696   9.278
  266   2HB   LYS  37          2HB       LYS  37   5.425  -2.886   9.119
  267   1HG   LYS  37          1HG       LYS  37   5.815  -1.783  11.323
  268   2HG   LYS  37          2HG       LYS  37   7.357  -2.671  11.478
  269   1HD   LYS  37          1HD       LYS  37   8.085  -1.695   9.269
  270   2HD   LYS  37          2HD       LYS  37   6.577  -0.766   9.242
  271   1HE   LYS  37          1HE       LYS  37   7.276   0.543  11.150
  272   2HE   LYS  37          2HE       LYS  37   8.716  -0.464  11.385
  273   1HZ   LYS  37          1HZ       LYS  37   8.219   1.188   8.968
  274   2HZ   LYS  37          2HZ       LYS  37   9.176   1.649  10.222
  275   3HZ   LYS  37          3HZ       LYS  37   9.586   0.357   9.310
  276    H    LEU  38           H        LEU  38   3.275  -4.234   9.050
  277    HA   LEU  38           HA       LEU  38   1.515  -3.493  11.304
  278   1HB   LEU  38          1HB       LEU  38   1.012  -4.020   8.335
  279   2HB   LEU  38          2HB       LEU  38  -0.252  -3.613   9.485
  280    HG   LEU  38           HG       LEU  38   2.080  -1.769   8.805
  281   1HD1  LEU  38          3HD1      LEU  38  -0.823  -1.833   7.859
  282   2HD1  LEU  38          1HD1      LEU  38   0.322  -0.520   7.533
  283   3HD1  LEU  38          2HD1      LEU  38   0.627  -2.129   6.869
  284   1HD2  LEU  38          2HD2      LEU  38  -0.495  -1.307  10.387
  285   2HD2  LEU  38          3HD2      LEU  38   1.162  -1.278  11.034
  286   3HD2  LEU  38          1HD2      LEU  38   0.640  -0.039   9.890
  287    H    LYS  39           H        LYS  39   2.093  -5.483  12.467
  288    HA   LYS  39           HA       LYS  39   1.106  -7.924  11.239
  289   1HB   LYS  39          1HB       LYS  39   1.811  -9.129  13.301
  290   2HB   LYS  39          2HB       LYS  39   2.999  -8.454  12.203
  291   1HG   LYS  39          1HG       LYS  39   3.346  -6.542  13.770
  292   2HG   LYS  39          2HG       LYS  39   2.209  -7.284  14.900
  293   1HD   LYS  39          1HD       LYS  39   4.632  -7.678  15.438
  294   2HD   LYS  39          2HD       LYS  39   3.676  -9.134  15.286
  295   1HE   LYS  39          1HE       LYS  39   5.865  -9.503  14.338
  296   2HE   LYS  39          2HE       LYS  39   4.641  -9.622  13.081
  297   1HZ   LYS  39          1HZ       LYS  39   5.288  -7.422  12.315
  298   2HZ   LYS  39          2HZ       LYS  39   6.467  -7.326  13.485
  299   3HZ   LYS  39          3HZ       LYS  39   6.524  -8.428  12.254
  300    H    ILE  40           H        ILE  40  -0.445  -9.376  12.563
  301    HA   ILE  40           HA       ILE  40  -2.582  -9.774  13.185
  302    HB   ILE  40           HB       ILE  40  -2.919  -6.800  13.839
  303   1HG1  ILE  40          1HG1      ILE  40  -2.692  -9.218  15.689
  304   2HG1  ILE  40          2HG1      ILE  40  -1.353  -8.126  15.326
  305   1HG2  ILE  40          1HG2      ILE  40  -5.046  -7.783  13.100
  306   2HG2  ILE  40          2HG2      ILE  40  -4.861  -9.094  14.283
  307   3HG2  ILE  40          3HG2      ILE  40  -5.068  -7.410  14.806
  308   1HD1  ILE  40          3HD1      ILE  40  -2.671  -6.213  16.248
  309   2HD1  ILE  40          1HD1      ILE  40  -3.924  -7.371  16.762
  310   3HD1  ILE  40          2HD1      ILE  40  -2.293  -7.476  17.435
  311    H    LEU  41           H        LEU  41  -2.309  -6.610  11.491
  312    HA   LEU  41           HA       LEU  41  -4.290  -7.338   9.496
  313   1HB   LEU  41          1HB       LEU  41  -3.826  -5.069  10.600
  314   2HB   LEU  41          2HB       LEU  41  -2.385  -4.962   9.594
  315    HG   LEU  41           HG       LEU  41  -3.791  -4.931   7.570
  316   1HD1  LEU  41          3HD1      LEU  41  -6.155  -5.101   9.505
  317   2HD1  LEU  41          1HD1      LEU  41  -6.280  -4.686   7.790
  318   3HD1  LEU  41          2HD1      LEU  41  -5.729  -6.290   8.258
  319   1HD2  LEU  41          3HD2      LEU  41  -4.694  -2.975   9.725
  320   2HD2  LEU  41          1HD2      LEU  41  -3.260  -2.807   8.684
  321   3HD2  LEU  41          2HD2      LEU  41  -4.884  -2.734   7.976
  322    H    ARG  42           H        ARG  42  -1.421  -8.479   9.853
  323    HA   ARG  42           HA       ARG  42   0.291  -8.224   7.663
  324   1HB   ARG  42          1HB       ARG  42   0.614  -9.366   9.895
  325   2HB   ARG  42          2HB       ARG  42  -0.386 -10.691   9.352
  326   1HG   ARG  42          1HG       ARG  42   1.368 -11.217   7.613
  327   2HG   ARG  42          2HG       ARG  42   2.363  -9.908   8.304
  328   1HD   ARG  42          1HD       ARG  42   2.115 -11.053  10.578
  329   2HD   ARG  42          2HD       ARG  42   1.306 -12.387   9.763
  330    HE   ARG  42           HE       ARG  42   3.315 -13.180   9.002
  331   1HH1  ARG  42          2HH2      ARG  42   3.891  -9.897  10.368
  332   2HH1  ARG  42          1HH2      ARG  42   5.609 -10.129  10.372
  333   1HH2  ARG  42          2HH1      ARG  42   5.699 -13.355   9.042
  334   2HH2  ARG  42          1HH1      ARG  42   6.549 -11.872   9.358
  335    H    GLY  43           H        GLY  43  -2.386 -10.549   8.172
  336   1HA   GLY  43          1HA       GLY  43  -2.123 -11.995   5.736
  337   2HA   GLY  43          2HA       GLY  43  -3.572 -11.899   6.752
  338    H    LEU  44           H        LEU  44  -4.089  -9.037   6.590
  339    HA   LEU  44           HA       LEU  44  -5.553  -9.168   4.129
  340   1HB   LEU  44          1HB       LEU  44  -6.237  -7.964   6.354
  341   2HB   LEU  44          2HB       LEU  44  -5.179  -6.664   5.804
  342    HG   LEU  44           HG       LEU  44  -6.545  -6.819   3.550
  343   1HD1  LEU  44          1HD1      LEU  44  -8.487  -8.161   5.493
  344   2HD1  LEU  44          2HD1      LEU  44  -8.887  -7.588   3.871
  345   3HD1  LEU  44          3HD1      LEU  44  -7.754  -8.929   4.069
  346   1HD2  LEU  44          3HD2      LEU  44  -7.875  -5.749   6.070
  347   2HD2  LEU  44          1HD2      LEU  44  -6.678  -4.901   5.058
  348   3HD2  LEU  44          2HD2      LEU  44  -8.272  -5.294   4.399
  349    H    CYS  45           H        CYS  45  -2.893  -7.048   5.338
  350    HA   CYS  45           HA       CYS  45  -2.303  -5.635   3.057
  351   1HB   CYS  45          1HB       CYS  45  -1.392  -5.331   5.318
  352   2HB   CYS  45          2HB       CYS  45  -0.429  -6.792   5.159
  353    H    LYS  46           H        LYS  46  -0.793  -8.861   3.876
  354    HA   LYS  46           HA       LYS  46   0.592  -8.870   1.365
  355   1HB   LYS  46          1HB       LYS  46   0.030 -11.095   3.346
  356   2HB   LYS  46          2HB       LYS  46   0.895 -11.376   1.816
  357   1HG   LYS  46          1HG       LYS  46   2.544  -9.644   2.353
  358   2HG   LYS  46          2HG       LYS  46   1.658  -9.246   3.826
  359   1HD   LYS  46          1HD       LYS  46   2.185 -11.372   4.823
  360   2HD   LYS  46          2HD       LYS  46   3.071 -11.885   3.379
  361   1HE   LYS  46          1HE       LYS  46   3.755  -9.496   5.167
  362   2HE   LYS  46          2HE       LYS  46   4.565 -11.058   5.231
  363   1HZ   LYS  46          3HZ       LYS  46   4.583  -9.351   2.820
  364   2HZ   LYS  46          1HZ       LYS  46   5.742  -9.285   3.956
  365   3HZ   LYS  46          2HZ       LYS  46   5.519 -10.677   3.112
  366    H    LYS  47           H        LYS  47  -2.686 -10.107   2.150
  367    HA   LYS  47           HA       LYS  47  -3.045 -11.299  -0.446
  368   1HB   LYS  47          1HB       LYS  47  -4.505 -11.797   1.501
  369   2HB   LYS  47          2HB       LYS  47  -5.137 -10.144   1.455
  370   1HG   LYS  47          1HG       LYS  47  -6.043 -10.536  -0.812
  371   2HG   LYS  47          2HG       LYS  47  -5.397 -12.179  -0.819
  372   1HD   LYS  47          1HD       LYS  47  -7.360 -11.188   1.287
  373   2HD   LYS  47          2HD       LYS  47  -7.915 -11.805  -0.260
  374   1HE   LYS  47          1HE       LYS  47  -6.123 -13.437   1.591
  375   2HE   LYS  47          2HE       LYS  47  -7.884 -13.430   1.732
  376   1HZ   LYS  47          3HZ       LYS  47  -8.048 -14.255  -0.515
  377   2HZ   LYS  47          1HZ       LYS  47  -6.412 -14.268  -0.690
  378   3HZ   LYS  47          2HZ       LYS  47  -7.139 -15.269   0.392
  379    H    ILE  48           H        ILE  48  -3.760  -7.984   0.782
  380    HA   ILE  48           HA       ILE  48  -4.995  -6.925  -1.528
  381    HB   ILE  48           HB       ILE  48  -3.302  -5.657   0.652
  382   1HG1  ILE  48          1HG1      ILE  48  -5.675  -6.772   1.082
  383   2HG1  ILE  48          2HG1      ILE  48  -5.133  -5.316   1.907
  384   1HG2  ILE  48          1HG2      ILE  48  -4.910  -4.180  -1.457
  385   2HG2  ILE  48          2HG2      ILE  48  -4.227  -3.453   0.019
  386   3HG2  ILE  48          3HG2      ILE  48  -3.158  -4.123  -1.205
  387   1HD1  ILE  48          1HD1      ILE  48  -6.969  -5.336  -0.511
  388   2HD1  ILE  48          2HD1      ILE  48  -7.495  -5.255   1.187
  389   3HD1  ILE  48          3HD1      ILE  48  -6.540  -3.932   0.512
  390    H    MET  49           H        MET  49  -1.531  -6.746  -0.501
  391    HA   MET  49           HA       MET  49  -0.521  -5.560  -2.828
  392   1HB   MET  49          1HB       MET  49   0.658  -7.315  -0.656
  393   2HB   MET  49          2HB       MET  49   1.635  -6.791  -2.025
  394   1HG   MET  49          1HG       MET  49   1.827  -5.337  -0.013
  395   2HG   MET  49          2HG       MET  49   1.416  -4.524  -1.520
  396   1HE   MET  49          1HE       MET  49   0.958  -2.384  -0.549
  397   2HE   MET  49          2HE       MET  49  -0.278  -1.981   0.656
  398   3HE   MET  49          3HE       MET  49   1.212  -2.816   1.157
  399    H    ARG  50           H        ARG  50  -0.773  -9.186  -2.168
  400    HA   ARG  50           HA       ARG  50   0.419  -9.737  -4.719
  401   1HB   ARG  50          1HB       ARG  50  -0.023 -11.352  -2.764
  402   2HB   ARG  50          2HB       ARG  50  -1.646 -11.563  -3.395
  403   1HG   ARG  50          1HG       ARG  50   0.830 -12.057  -5.118
  404   2HG   ARG  50          2HG       ARG  50   0.280 -13.236  -3.953
  405   1HD   ARG  50          1HD       ARG  50  -0.504 -13.993  -6.014
  406   2HD   ARG  50          2HD       ARG  50  -1.926 -13.388  -5.146
  407    HE   ARG  50           HE       ARG  50  -0.967 -11.261  -6.671
  408   1HH1  ARG  50          2HH2      ARG  50  -2.042 -14.487  -7.661
  409   2HH1  ARG  50          1HH2      ARG  50  -2.892 -13.909  -9.045
  410   1HH2  ARG  50          2HH1      ARG  50  -2.145 -10.479  -8.324
  411   2HH2  ARG  50          1HH1      ARG  50  -2.907 -11.509  -9.482
  412    H    SER  51           H        SER  51  -2.997  -9.283  -3.755
  413    HA   SER  51           HA       SER  51  -4.190 -10.015  -6.191
  414   1HB   SER  51          1HB       SER  51  -5.236  -9.708  -3.910
  415   2HB   SER  51          2HB       SER  51  -5.212  -7.958  -4.181
  416    HG   SER  51           HG       SER  51  -6.730  -8.198  -5.727
  417    H    PHE  52           H        PHE  52  -3.243  -6.715  -5.033
  418    HA   PHE  52           HA       PHE  52  -3.575  -5.700  -7.825
  419   1HB   PHE  52          1HB       PHE  52  -4.051  -4.131  -5.277
  420   2HB   PHE  52          2HB       PHE  52  -4.599  -3.761  -6.904
  421    HD1  PHE  52           HD1      PHE  52  -6.172  -5.808  -7.933
  422    HD2  PHE  52           HD2      PHE  52  -5.710  -4.737  -3.776
  423    HE1  PHE  52           HE1      PHE  52  -8.400  -6.770  -7.433
  424    HE2  PHE  52           HE2      PHE  52  -7.945  -5.703  -3.287
  425    HZ   PHE  52           HZ       PHE  52  -9.295  -6.708  -5.116
  426    H    LEU  53           H        LEU  53  -1.079  -6.703  -7.063
  427    HA   LEU  53           HA       LEU  53   0.595  -5.064  -5.679
  428   1HB   LEU  53          1HB       LEU  53   0.976  -7.414  -6.784
  429   2HB   LEU  53          2HB       LEU  53   1.548  -6.524  -8.164
  430    HG   LEU  53           HG       LEU  53   3.490  -7.056  -7.026
  431   1HD1  LEU  53          1HD1      LEU  53   3.520  -4.586  -7.434
  432   2HD1  LEU  53          2HD1      LEU  53   2.935  -4.332  -5.763
  433   3HD1  LEU  53          3HD1      LEU  53   4.492  -5.092  -6.062
  434   1HD2  LEU  53          1HD2      LEU  53   2.414  -7.925  -4.980
  435   2HD2  LEU  53          2HD2      LEU  53   3.847  -6.949  -4.621
  436   3HD2  LEU  53          3HD2      LEU  53   2.230  -6.257  -4.379
  437    H    ARG  54           H        ARG  54   0.662  -4.987  -9.325
  438    HA   ARG  54           HA       ARG  54   2.200  -2.613  -9.224
  439   1HB   ARG  54          1HB       ARG  54   1.961  -4.292 -11.173
  440   2HB   ARG  54          2HB       ARG  54   0.538  -3.350 -11.646
  441   1HG   ARG  54          1HG       ARG  54   2.607  -1.447 -11.112
  442   2HG   ARG  54          2HG       ARG  54   3.408  -2.767 -11.916
  443   1HD   ARG  54          1HD       ARG  54   0.961  -1.909 -13.325
  444   2HD   ARG  54          2HD       ARG  54   2.085  -0.584 -13.047
  445    HE   ARG  54           HE       ARG  54   2.354  -2.697 -14.934
  446   1HH1  ARG  54          2HH2      ARG  54   4.531  -0.840 -12.705
  447   2HH1  ARG  54          1HH2      ARG  54   5.752  -0.680 -13.862
  448   1HH2  ARG  54          2HH1      ARG  54   4.139  -2.591 -16.403
  449   2HH2  ARG  54          1HH1      ARG  54   5.583  -1.778 -15.941
  450    H    ARG  55           H        ARG  55  -1.239  -2.883  -8.582
  451    HA   ARG  55           HA       ARG  55  -1.893  -0.297  -9.639
  452   1HB   ARG  55          1HB       ARG  55  -3.244  -2.231  -7.745
  453   2HB   ARG  55          2HB       ARG  55  -3.781  -0.609  -7.834
  454   1HG   ARG  55          1HG       ARG  55  -3.722  -2.465 -10.220
  455   2HG   ARG  55          2HG       ARG  55  -5.083  -2.371  -9.123
  456   1HD   ARG  55          1HD       ARG  55  -4.315   0.226 -10.384
  457   2HD   ARG  55          2HD       ARG  55  -4.880  -1.011 -11.486
  458    HE   ARG  55           HE       ARG  55  -6.833  -1.149  -9.671
  459   1HH1  ARG  55          2HH2      ARG  55  -5.546   1.843 -11.234
  460   2HH1  ARG  55          1HH2      ARG  55  -7.045   2.661 -10.913
  461   1HH2  ARG  55          2HH1      ARG  55  -8.870   0.153  -9.517
  462   2HH2  ARG  55          1HH1      ARG  55  -8.701   1.813  -9.889
  463    H    ILE  56           H        ILE  56  -0.988  -1.772  -6.394
  464    HA   ILE  56           HA       ILE  56  -1.078   0.726  -5.031
  465    HB   ILE  56           HB       ILE  56   0.625  -1.670  -4.295
  466   1HG1  ILE  56          1HG1      ILE  56  -1.503  -2.612  -4.320
  467   2HG1  ILE  56          2HG1      ILE  56  -1.385  -2.052  -2.678
  468   1HG2  ILE  56          3HG2      ILE  56  -0.430   0.686  -2.660
  469   2HG2  ILE  56          1HG2      ILE  56   0.363  -0.752  -1.979
  470   3HG2  ILE  56          2HG2      ILE  56   1.264   0.322  -3.039
  471   1HD1  ILE  56          1HD1      ILE  56  -2.701   0.039  -3.413
  472   2HD1  ILE  56          2HD1      ILE  56  -2.991  -0.795  -4.950
  473   3HD1  ILE  56          3HD1      ILE  56  -3.580  -1.511  -3.455
  474    H    SER  57           H        SER  57   1.445  -0.662  -7.129
  475    HA   SER  57           HA       SER  57   3.433   1.314  -6.491
  476   1HB   SER  57          1HB       SER  57   4.093  -0.694  -7.664
  477   2HB   SER  57          2HB       SER  57   2.926  -0.382  -8.963
  478    HG   SER  57           HG       SER  57   4.737   0.359  -9.765
  479    H    TRP  58           H        TRP  58   1.184   1.166  -9.395
  480    HA   TRP  58           HA       TRP  58   1.661   3.710 -10.386
  481   1HB   TRP  58          1HB       TRP  58   0.177   2.848 -11.830
  482   2HB   TRP  58          2HB       TRP  58  -0.550   1.810 -10.620
  483    HD1  TRP  58           HD1      TRP  58  -0.895   5.509 -11.827
  484    HE1  TRP  58           HE1      TRP  58  -3.219   6.337 -11.314
  485    HE3  TRP  58           HE3      TRP  58  -2.623   1.477  -9.258
  486    HZ2  TRP  58           HZ2      TRP  58  -5.570   5.367  -9.775
  487    HZ3  TRP  58           HZ3      TRP  58  -4.738   1.467  -8.168
  488    HH2  TRP  58           HH2      TRP  58  -6.237   3.346  -8.308
  489    H    ASP  59           H        ASP  59  -0.599   2.873  -7.808
  490    HA   ASP  59           HA       ASP  59  -1.782   5.379  -7.311
  491   1HB   ASP  59          1HB       ASP  59  -0.994   3.000  -5.575
  492   2HB   ASP  59          2HB       ASP  59  -1.710   4.409  -4.859
  493    HD1  ASP  59           HD2      ASP  59  -4.428   3.760  -7.293
  494    H    ILE  60           H        ILE  60   1.047   3.978  -5.620
  495    HA   ILE  60           HA       ILE  60   1.611   6.395  -4.217
  496    HB   ILE  60           HB       ILE  60   2.966   3.703  -4.354
  497   1HG1  ILE  60          1HG1      ILE  60   1.164   5.193  -2.351
  498   2HG1  ILE  60          2HG1      ILE  60   0.668   3.838  -3.356
  499   1HG2  ILE  60          2HG2      ILE  60   4.624   5.433  -3.826
  500   2HG2  ILE  60          3HG2      ILE  60   3.592   6.076  -2.533
  501   3HG2  ILE  60          1HG2      ILE  60   4.278   4.436  -2.412
  502   1HD1  ILE  60          3HD1      ILE  60   2.271   2.381  -2.144
  503   2HD1  ILE  60          1HD1      ILE  60   2.524   3.737  -0.996
  504   3HD1  ILE  60          2HD1      ILE  60   0.914   3.024  -1.196
  505    H    LEU  61           H        LEU  61   3.019   4.976  -7.148
  506    HA   LEU  61           HA       LEU  61   5.059   6.859  -7.634
  507   1HB   LEU  61          1HB       LEU  61   3.184   5.473  -9.595
  508   2HB   LEU  61          2HB       LEU  61   4.579   6.414 -10.083
  509    HG   LEU  61           HG       LEU  61   4.776   3.888  -8.392
  510   1HD1  LEU  61          1HD1      LEU  61   5.157   4.319 -11.392
  511   2HD1  LEU  61          2HD1      LEU  61   5.527   2.823 -10.508
  512   3HD1  LEU  61          3HD1      LEU  61   3.861   3.377 -10.617
  513   1HD2  LEU  61          1HD2      LEU  61   6.912   5.466  -9.877
  514   2HD2  LEU  61          2HD2      LEU  61   6.753   5.287  -8.113
  515   3HD2  LEU  61          3HD2      LEU  61   7.108   3.875  -9.118
  516    H    THR  62           H        THR  62   1.565   7.039  -8.488
  517    HA   THR  62           HA       THR  62   1.858   9.786  -9.479
  518    HB   THR  62           HB       THR  62  -0.616   9.667  -9.787
  519    HG1  THR  62           HG1      THR  62  -0.285   6.951  -9.027
  520   1HG2  THR  62          1HG2      THR  62   0.948   9.066 -11.591
  521   2HG2  THR  62          2HG2      THR  62   0.947   7.376 -11.049
  522   3HG2  THR  62          3HG2      THR  62  -0.546   8.120 -11.670
  523    H    GLY  63           H        GLY  63   2.305   8.853  -6.527
  524   1HA   GLY  63          1HA       GLY  63   1.854   9.436  -4.404
  525   2HA   GLY  63          2HA       GLY  63   1.947  11.073  -5.071
  526    H    LYS  64           H        LYS  64  -0.568   8.471  -5.410
  527    HA   LYS  64           HA       LYS  64  -2.610  10.562  -4.965
  528   1HB   LYS  64          1HB       LYS  64  -2.797   8.812  -6.739
  529   2HB   LYS  64          2HB       LYS  64  -2.783   7.542  -5.511
  530   1HG   LYS  64          1HG       LYS  64  -4.910   8.441  -4.586
  531   2HG   LYS  64          2HG       LYS  64  -4.936   9.681  -5.845
  532   1HD   LYS  64          1HD       LYS  64  -5.080   6.660  -6.282
  533   2HD   LYS  64          2HD       LYS  64  -6.442   7.770  -6.301
  534   1HE   LYS  64          1HE       LYS  64  -4.638   8.881  -8.170
  535   2HE   LYS  64          2HE       LYS  64  -4.470   7.145  -8.414
  536   1HZ   LYS  64          1HZ       LYS  64  -7.070   8.590  -8.471
  537   2HZ   LYS  64          2HZ       LYS  64  -6.238   8.101  -9.795
  538   3HZ   LYS  64          3HZ       LYS  64  -6.876   7.007  -8.790
  539    H    LYS  65           H        LYS  65  -3.927  10.561  -3.134
  540    HA   LYS  65           HA       LYS  65  -2.538   9.566  -0.787
  541   1HB   LYS  65          1HB       LYS  65  -4.844  11.444  -1.197
  542   2HB   LYS  65          2HB       LYS  65  -4.568  10.784   0.406
  543   1HG   LYS  65          1HG       LYS  65  -3.411  12.975   0.038
  544   2HG   LYS  65          2HG       LYS  65  -2.344  11.665   0.530
  545   1HD   LYS  65          1HD       LYS  65  -1.581  11.404  -1.827
  546   2HD   LYS  65          2HD       LYS  65  -2.585  12.801  -2.287
  547   1HE   LYS  65          1HE       LYS  65  -1.155  14.184  -0.743
  548   2HE   LYS  65          2HE       LYS  65  -0.263  12.710  -0.311
  549   1HZ   LYS  65          1HZ       LYS  65   0.190  12.507  -2.778
  550   2HZ   LYS  65          2HZ       LYS  65  -0.310  14.041  -2.945
  551   3HZ   LYS  65          3HZ       LYS  65   0.995  13.717  -1.991
  552    HA   PRO  66           HA       PRO  66  -4.148   5.776   0.171
  553   1HB   PRO  66          1HB       PRO  66  -4.989   5.948   2.857
  554   2HB   PRO  66          2HB       PRO  66  -3.322   5.698   2.288
  555   1HG   PRO  66          1HG       PRO  66  -4.687   8.314   2.985
  556   2HG   PRO  66          2HG       PRO  66  -3.049   7.748   3.460
  557   1HD   PRO  66          1HD       PRO  66  -3.224   9.434   1.471
  558   2HD   PRO  66          2HD       PRO  66  -2.233   7.964   1.225
  559    H    GLN  67           H        GLN  67  -6.465   8.173   1.566
  560    HA   GLN  67           HA       GLN  67  -8.743   6.477   1.497
  561   1HB   GLN  67          1HB       GLN  67  -8.813   8.453   2.778
  562   2HB   GLN  67          2HB       GLN  67  -8.344   9.489   1.445
  563   1HG   GLN  67          1HG       GLN  67 -10.986   7.962   1.467
  564   2HG   GLN  67          2HG       GLN  67 -10.796   9.541   2.236
  565   1HE2  GLN  67          2HE2      GLN  67 -12.030  10.053  -1.290
  566   2HE2  GLN  67          1HE2      GLN  67 -12.644   9.044   0.003
  567    H    ALA  68           H        ALA  68  -7.249   8.510  -1.030
  568    HA   ALA  68           HA       ALA  68  -9.445   8.048  -2.882
  569   1HB   ALA  68          1HB       ALA  68  -6.674   9.254  -3.300
  570   2HB   ALA  68          2HB       ALA  68  -8.003   9.261  -4.482
  571   3HB   ALA  68          3HB       ALA  68  -8.176  10.139  -2.951
  572    H    ILE  69           H        ILE  69  -6.221   6.597  -2.279
  573    HA   ILE  69           HA       ILE  69  -6.141   4.934  -4.595
  574    HB   ILE  69           HB       ILE  69  -5.022   4.585  -1.753
  575   1HG1  ILE  69          1HG1      ILE  69  -3.598   5.234  -4.344
  576   2HG1  ILE  69          2HG1      ILE  69  -4.098   6.439  -3.236
  577   1HG2  ILE  69          2HG2      ILE  69  -4.787   2.767  -4.152
  578   2HG2  ILE  69          3HG2      ILE  69  -3.559   2.744  -2.882
  579   3HG2  ILE  69          1HG2      ILE  69  -5.223   2.351  -2.493
  580   1HD1  ILE  69          3HD1      ILE  69  -2.188   4.238  -2.310
  581   2HD1  ILE  69          1HD1      ILE  69  -1.644   5.730  -3.047
  582   3HD1  ILE  69          2HD1      ILE  69  -2.576   5.803  -1.559
  583    H    CYS  70           H        CYS  70  -7.357   4.195  -1.319
  584    HA   CYS  70           HA       CYS  70  -8.450   1.625  -1.892
  585   1HB   CYS  70          1HB       CYS  70  -9.342   3.720   0.149
  586   2HB   CYS  70          2HB       CYS  70  -9.645   1.978   0.238
  587    H    VAL  71           H        VAL  71  -9.941   4.897  -2.370
  588    HA   VAL  71           HA       VAL  71 -12.525   3.726  -3.048
  589    HB   VAL  71           HB       VAL  71 -11.197   6.423  -3.449
  590   1HG1  VAL  71          2HG1      VAL  71 -12.716   6.111  -5.398
  591   2HG1  VAL  71          3HG1      VAL  71 -14.045   5.734  -4.298
  592   3HG1  VAL  71          1HG1      VAL  71 -13.305   7.343  -4.283
  593   1HG2  VAL  71          1HG2      VAL  71 -12.056   5.776  -1.159
  594   2HG2  VAL  71          2HG2      VAL  71 -12.881   7.175  -1.856
  595   3HG2  VAL  71          3HG2      VAL  71 -13.678   5.593  -1.869
  596    H    ASP  72           H        ASP  72  -9.682   4.904  -5.064
  597    HA   ASP  72           HA       ASP  72 -10.784   4.369  -7.540
  598   1HB   ASP  72          1HB       ASP  72  -8.643   5.601  -6.898
  599   2HB   ASP  72          2HB       ASP  72  -7.849   4.048  -6.792
  600    H    ILE  73           H        ILE  73  -8.782   2.163  -5.588
  601    HA   ILE  73           HA       ILE  73  -9.061   0.040  -7.600
  602    HB   ILE  73           HB       ILE  73  -7.553  -1.239  -6.306
  603   1HG1  ILE  73          1HG1      ILE  73  -8.155   0.761  -4.093
  604   2HG1  ILE  73          2HG1      ILE  73  -8.259  -0.982  -4.092
  605   1HG2  ILE  73          1HG2      ILE  73  -6.810   0.732  -7.704
  606   2HG2  ILE  73          2HG2      ILE  73  -6.573   1.629  -6.204
  607   3HG2  ILE  73          3HG2      ILE  73  -5.645   0.146  -6.511
  608   1HD1  ILE  73          1HD1      ILE  73  -5.801  -1.133  -4.310
  609   2HD1  ILE  73          2HD1      ILE  73  -5.702   0.642  -4.229
  610   3HD1  ILE  73          3HD1      ILE  73  -6.303  -0.248  -2.831
  611    H    LYS  74           H        LYS  74 -11.119   1.147  -5.336
  612    HA   LYS  74           HA       LYS  74 -13.071   0.648  -4.672
  613   1HB   LYS  74          1HB       LYS  74 -13.285   0.006  -7.064
  614   2HB   LYS  74          2HB       LYS  74 -13.067  -1.687  -6.576
  615   1HG   LYS  74          1HG       LYS  74 -14.941  -1.377  -4.975
  616   2HG   LYS  74          2HG       LYS  74 -15.260   0.208  -5.599
  617   1HD   LYS  74          1HD       LYS  74 -15.141  -1.851  -7.668
  618   2HD   LYS  74          2HD       LYS  74 -16.474  -2.047  -6.525
  619   1HE   LYS  74          1HE       LYS  74 -17.414  -0.825  -8.279
  620   2HE   LYS  74          2HE       LYS  74 -17.070   0.400  -7.052
  621   1HZ   LYS  74          3HZ       LYS  74 -15.332  -0.136  -9.399
  622   2HZ   LYS  74          1HZ       LYS  74 -16.385   1.136  -9.228
  623   3HZ   LYS  74          2HZ       LYS  74 -15.119   1.026  -8.260
  624    H    ILE  75           H        ILE  75 -11.663   0.299  -2.866
  625    HA   ILE  75           HA       ILE  75 -12.337  -2.253  -1.460
  626    HB   ILE  75           HB       ILE  75  -9.869  -0.471  -1.336
  627   1HG1  ILE  75          1HG1      ILE  75 -10.213  -3.429  -2.067
  628   2HG1  ILE  75          2HG1      ILE  75  -9.936  -2.119  -3.207
  629   1HG2  ILE  75          1HG2      ILE  75 -10.392  -1.185   0.964
  630   2HG2  ILE  75          2HG2      ILE  75 -10.453  -2.890   0.395
  631   3HG2  ILE  75          3HG2      ILE  75  -8.945  -1.966   0.381
  632   1HD1  ILE  75          2HD1      ILE  75  -7.796  -1.609  -1.824
  633   2HD1  ILE  75          3HD1      ILE  75  -8.020  -3.239  -1.171
  634   3HD1  ILE  75          1HD1      ILE  75  -7.797  -3.016  -2.916
  635    H    CYS  76           H        CYS  76 -12.588   1.253  -1.515
  636    HA   CYS  76           HA       CYS  76 -13.009   1.422   1.340
  637   1HB   CYS  76          1HB       CYS  76 -11.956   3.239   0.013
  638   2HB   CYS  76          2HB       CYS  76 -13.497   3.535  -0.778
  639    H    LYS  77           H        LYS  77 -15.263   2.938  -0.958
  640    HA   LYS  77           HA       LYS  77 -17.431   1.239  -0.744
  641   1HB   LYS  77          1HB       LYS  77 -17.813   1.880   1.526
  642   2HB   LYS  77          2HB       LYS  77 -17.500   3.578   1.195
  643   1HG   LYS  77          1HG       LYS  77 -19.914   2.856   1.655
  644   2HG   LYS  77          2HG       LYS  77 -19.614   3.957   0.355
  645   1HD   LYS  77          1HD       LYS  77 -19.666   1.545  -1.049
  646   2HD   LYS  77          2HD       LYS  77 -20.737   1.208   0.302
  647   1HE   LYS  77          1HE       LYS  77 -22.117   2.069  -1.435
  648   2HE   LYS  77          2HE       LYS  77 -21.956   3.392  -0.267
  649   1HZ   LYS  77          1HZ       LYS  77 -20.110   4.216  -1.827
  650   2HZ   LYS  77          2HZ       LYS  77 -20.543   3.096  -2.871
  651   3HZ   LYS  77          3HZ       LYS  77 -21.612   4.240  -2.515
  652    H    GLU  78           H        GLU  78 -16.611   1.780  -2.997
  653    HA   GLU  78           HA       GLU  78 -17.292   4.407  -4.053
  654   1HB   GLU  78          1HB       GLU  78 -16.953   1.701  -5.428
  655   2HB   GLU  78          2HB       GLU  78 -17.113   3.271  -6.205
  656   1HG   GLU  78          1HG       GLU  78 -14.957   3.745  -4.577
  657   2HG   GLU  78          2HG       GLU  78 -14.748   2.046  -4.868
   
  No H/Q in entry =         657
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -17.139   0.502   4.834
    2   2H    GLY   1          2H        GLY   1 -16.023   0.584   3.623
    3   3H    GLY   1          3H        GLY   1 -17.489  -0.032   3.305
    4   1HA   GLY   1          1HA       GLY   1 -17.037  -1.956   4.732
    5   2HA   GLY   1          2HA       GLY   1 -15.815  -1.754   3.466
    6    H    TYR   2           H        TYR   2 -15.642  -2.969   6.325
    7    HA   TYR   2           HA       TYR   2 -13.835  -1.580   7.953
    8   1HB   TYR   2          1HB       TYR   2 -14.706  -3.724   8.608
    9   2HB   TYR   2          2HB       TYR   2 -14.080  -4.507   7.165
   10    HD1  TYR   2           HD2      TYR   2 -13.027  -2.927  10.413
   11    HD2  TYR   2           HD1      TYR   2 -11.882  -5.463   7.105
   12    HE1  TYR   2           HE2      TYR   2 -10.995  -3.594  11.627
   13    HE2  TYR   2           HE1      TYR   2  -9.837  -6.125   8.325
   14    HH   TYR   2           HH       TYR   2  -9.111  -4.954  11.620
   15    H    PHE   3           H        PHE   3 -13.260  -3.283   4.896
   16    HA   PHE   3           HA       PHE   3 -10.515  -3.224   4.655
   17   1HB   PHE   3          1HB       PHE   3 -12.734  -2.691   2.665
   18   2HB   PHE   3          2HB       PHE   3 -11.035  -2.641   2.208
   19    HD1  PHE   3           HD2      PHE   3  -9.576  -4.547   2.335
   20    HD2  PHE   3           HD1      PHE   3 -13.867  -4.840   2.667
   21    HE1  PHE   3           HE2      PHE   3  -9.472  -6.887   1.519
   22    HE2  PHE   3           HE1      PHE   3 -13.761  -7.176   1.844
   23    HZ   PHE   3           HZ       PHE   3 -11.582  -8.175   1.239
   24    H    CYS   4           H        CYS   4 -12.739  -0.369   4.281
   25    HA   CYS   4           HA       CYS   4 -10.889   1.142   2.812
   26   1HB   CYS   4          1HB       CYS   4 -13.357   1.544   3.095
   27   2HB   CYS   4          2HB       CYS   4 -13.059   2.255   4.648
   28    H    GLU   5           H        GLU   5 -11.522   1.404   6.401
   29    HA   GLU   5           HA       GLU   5  -9.417   3.309   6.715
   30   1HB   GLU   5          1HB       GLU   5 -11.341   2.830   8.338
   31   2HB   GLU   5          2HB       GLU   5 -10.367   1.495   8.953
   32   1HG   GLU   5          1HG       GLU   5  -9.547   4.443   8.808
   33   2HG   GLU   5          2HG       GLU   5 -10.130   3.626  10.251
   34    H    SER   6           H        SER   6  -9.547  -0.245   7.215
   35    HA   SER   6           HA       SER   6  -6.944  -0.771   7.953
   36   1HB   SER   6          1HB       SER   6  -8.601  -2.392   5.967
   37   2HB   SER   6          2HB       SER   6  -7.285  -2.982   6.991
   38    HG   SER   6           HG       SER   6  -9.917  -2.228   7.699
   39    H    CYS   7           H        CYS   7  -8.130  -0.485   4.579
   40    HA   CYS   7           HA       CYS   7  -5.689  -0.825   3.183
   41   1HB   CYS   7          1HB       CYS   7  -7.751  -1.126   2.081
   42   2HB   CYS   7          2HB       CYS   7  -8.344   0.467   2.545
   43    H    ARG   8           H        ARG   8  -7.421   2.155   4.299
   44    HA   ARG   8           HA       ARG   8  -5.523   4.015   3.371
   45   1HB   ARG   8          1HB       ARG   8  -7.605   4.828   4.094
   46   2HB   ARG   8          2HB       ARG   8  -7.525   4.060   5.661
   47   1HG   ARG   8          1HG       ARG   8  -5.419   6.123   5.058
   48   2HG   ARG   8          2HG       ARG   8  -7.074   6.688   5.291
   49   1HD   ARG   8          1HD       ARG   8  -7.220   5.821   7.492
   50   2HD   ARG   8          2HD       ARG   8  -5.799   4.799   7.303
   51    HE   ARG   8           HE       ARG   8  -4.835   7.369   6.919
   52   1HH1  ARG   8          2HH2      ARG   8  -6.451   5.615   9.607
   53   2HH1  ARG   8          1HH2      ARG   8  -5.855   6.718  10.794
   54   1HH2  ARG   8          2HH1      ARG   8  -3.805   8.521   8.470
   55   2HH2  ARG   8          1HH1      ARG   8  -4.238   8.437  10.144
   56    H    LYS   9           H        LYS   9  -5.618   2.279   6.506
   57    HA   LYS   9           HA       LYS   9  -3.249   3.473   7.540
   58   1HB   LYS   9          1HB       LYS   9  -5.130   2.330   8.744
   59   2HB   LYS   9          2HB       LYS   9  -4.529   0.774   8.190
   60   1HG   LYS   9          1HG       LYS   9  -2.530   0.953   9.478
   61   2HG   LYS   9          2HG       LYS   9  -2.783   2.679   9.806
   62   1HD   LYS   9          1HD       LYS   9  -4.758   0.539  10.705
   63   2HD   LYS   9          2HD       LYS   9  -3.386   1.037  11.714
   64   1HE   LYS   9          1HE       LYS   9  -4.219   3.170  12.100
   65   2HE   LYS   9          2HE       LYS   9  -5.114   3.211  10.570
   66   1HZ   LYS   9          1HZ       LYS   9  -6.013   1.578  12.849
   67   2HZ   LYS   9          2HZ       LYS   9  -6.597   3.074  12.411
   68   3HZ   LYS   9          3HZ       LYS   9  -6.760   1.860  11.388
   69    H    ILE  10           H        ILE  10  -3.786   0.513   5.665
   70    HA   ILE  10           HA       ILE  10  -1.158  -0.543   5.675
   71    HB   ILE  10           HB       ILE  10  -3.599  -0.813   3.912
   72   1HG1  ILE  10          1HG1      ILE  10  -2.076  -2.866   5.545
   73   2HG1  ILE  10          2HG1      ILE  10  -3.287  -1.830   6.252
   74   1HG2  ILE  10          2HG2      ILE  10  -0.884  -2.008   3.369
   75   2HG2  ILE  10          3HG2      ILE  10  -2.378  -2.771   2.780
   76   3HG2  ILE  10          1HG2      ILE  10  -1.959  -1.146   2.252
   77   1HD1  ILE  10          1HD1      ILE  10  -3.866  -3.769   3.971
   78   2HD1  ILE  10          2HD1      ILE  10  -4.259  -4.025   5.665
   79   3HD1  ILE  10          3HD1      ILE  10  -5.038  -2.717   4.768
   80    H    ILE  11           H        ILE  11  -2.750   1.637   3.239
   81    HA   ILE  11           HA       ILE  11  -0.315   2.084   1.797
   82    HB   ILE  11           HB       ILE  11  -2.843   3.758   2.047
   83   1HG1  ILE  11          1HG1      ILE  11  -3.413   1.792   0.818
   84   2HG1  ILE  11          2HG1      ILE  11  -3.223   3.084  -0.349
   85   1HG2  ILE  11          3HG2      ILE  11  -0.445   4.194   0.222
   86   2HG2  ILE  11          1HG2      ILE  11  -2.006   5.007   0.037
   87   3HG2  ILE  11          2HG2      ILE  11  -1.032   5.295   1.466
   88   1HD1  ILE  11          2HD1      ILE  11  -0.982   2.200  -0.954
   89   2HD1  ILE  11          3HD1      ILE  11  -1.224   0.856   0.193
   90   3HD1  ILE  11          1HD1      ILE  11  -2.296   1.037  -1.201
   91    H    GLN  12           H        GLN  12  -1.810   3.923   4.545
   92    HA   GLN  12           HA       GLN  12   0.016   6.011   4.482
   93   1HB   GLN  12          1HB       GLN  12  -1.436   4.778   6.841
   94   2HB   GLN  12          2HB       GLN  12  -0.479   6.252   6.974
   95   1HG   GLN  12          1HG       GLN  12  -2.382   6.301   4.696
   96   2HG   GLN  12          2HG       GLN  12  -3.146   6.108   6.266
   97   1HE2  GLN  12          2HE2      GLN  12  -1.075   9.625   5.542
   98   2HE2  GLN  12          1HE2      GLN  12  -0.718   8.264   4.522
   99    H    LYS  13           H        LYS  13   0.509   2.893   6.372
  100    HA   LYS  13           HA       LYS  13   3.029   4.003   7.194
  101   1HB   LYS  13          1HB       LYS  13   1.784   2.260   8.509
  102   2HB   LYS  13          2HB       LYS  13   2.384   1.052   7.370
  103   1HG   LYS  13          1HG       LYS  13   3.688   1.327   9.548
  104   2HG   LYS  13          2HG       LYS  13   4.662   1.401   8.080
  105   1HD   LYS  13          1HD       LYS  13   4.909   3.763   8.223
  106   2HD   LYS  13          2HD       LYS  13   3.666   3.922   9.473
  107   1HE   LYS  13          1HE       LYS  13   5.121   2.943  11.127
  108   2HE   LYS  13          2HE       LYS  13   6.310   2.477   9.883
  109   1HZ   LYS  13          1HZ       LYS  13   5.605   5.325  10.297
  110   2HZ   LYS  13          2HZ       LYS  13   6.886   4.612  11.096
  111   3HZ   LYS  13          3HZ       LYS  13   6.761   4.769   9.455
  112    H    LEU  14           H        LEU  14   2.080   2.347   4.276
  113    HA   LEU  14           HA       LEU  14   4.777   1.613   3.456
  114   1HB   LEU  14          1HB       LEU  14   2.888   0.537   2.402
  115   2HB   LEU  14          2HB       LEU  14   2.162   2.065   1.963
  116    HG   LEU  14           HG       LEU  14   3.940   2.532   0.339
  117   1HD1  LEU  14          3HD1      LEU  14   5.086  -0.082   1.387
  118   2HD1  LEU  14          1HD1      LEU  14   5.507   0.571  -0.219
  119   3HD1  LEU  14          2HD1      LEU  14   5.893   1.481   1.239
  120   1HD2  LEU  14          3HD2      LEU  14   2.624  -0.209   0.139
  121   2HD2  LEU  14          1HD2      LEU  14   1.905   1.345  -0.304
  122   3HD2  LEU  14          2HD2      LEU  14   3.279   0.737  -1.228
  123    H    GLU  15           H        GLU  15   2.577   4.322   2.827
  124    HA   GLU  15           HA       GLU  15   4.166   5.884   1.142
  125   1HB   GLU  15          1HB       GLU  15   1.657   5.891   1.569
  126   2HB   GLU  15          2HB       GLU  15   1.957   6.520   3.181
  127   1HG   GLU  15          1HG       GLU  15   2.807   8.631   2.091
  128   2HG   GLU  15          2HG       GLU  15   2.297   7.946   0.541
  129    H    ASP  16           H        ASP  16   3.698   6.071   4.664
  130    HA   ASP  16           HA       ASP  16   5.549   8.056   5.366
  131   1HB   ASP  16          1HB       ASP  16   3.981   7.181   6.961
  132   2HB   ASP  16          2HB       ASP  16   4.427   5.524   6.599
  133    H    MET  17           H        MET  17   6.178   4.519   5.027
  134    HA   MET  17           HA       MET  17   8.941   4.945   5.784
  135   1HB   MET  17          1HB       MET  17   7.513   2.549   4.591
  136   2HB   MET  17          2HB       MET  17   9.226   2.544   5.041
  137   1HG   MET  17          1HG       MET  17   8.591   3.174   7.375
  138   2HG   MET  17          2HG       MET  17   6.906   3.008   6.937
  139   1HE   MET  17          3HE       MET  17   6.444   0.663   5.321
  140   2HE   MET  17          1HE       MET  17   8.072   0.154   4.852
  141   3HE   MET  17          2HE       MET  17   7.055  -0.935   5.823
  142    H    VAL  18           H        VAL  18   7.327   4.356   2.559
  143    HA   VAL  18           HA       VAL  18   9.929   4.114   1.292
  144    HB   VAL  18           HB       VAL  18   7.700   3.099   0.535
  145   1HG1  VAL  18          3HG1      VAL  18   6.365   5.173   0.444
  146   2HG1  VAL  18          1HG1      VAL  18   7.363   5.719  -0.908
  147   3HG1  VAL  18          2HG1      VAL  18   6.386   4.247  -1.081
  148   1HG2  VAL  18          1HG2      VAL  18   9.740   4.284  -1.322
  149   2HG2  VAL  18          2HG2      VAL  18   9.640   2.667  -0.614
  150   3HG2  VAL  18          3HG2      VAL  18   8.469   3.140  -1.845
  151    H    GLY  19           H        GLY  19   7.688   6.705   2.120
  152   1HA   GLY  19          1HA       GLY  19   8.085   8.880   2.405
  153   2HA   GLY  19          2HA       GLY  19   9.721   8.707   1.737
  154    HA   PRO  20           HA       PRO  20   6.950  10.724  -1.459
  155   1HB   PRO  20          1HB       PRO  20   8.272  13.072  -1.834
  156   2HB   PRO  20          2HB       PRO  20   7.179  12.834  -0.432
  157   1HG   PRO  20          1HG       PRO  20  10.201  12.536  -0.516
  158   2HG   PRO  20          2HG       PRO  20   9.212  13.444   0.675
  159   1HD   PRO  20          1HD       PRO  20  10.094  10.866   1.066
  160   2HD   PRO  20          2HD       PRO  20   8.525  11.470   1.739
  161    H    GLN  21           H        GLN  21   7.488  11.179  -3.491
  162    HA   GLN  21           HA       GLN  21   8.170  10.275  -5.551
  163   1HB   GLN  21          1HB       GLN  21  10.699  11.736  -4.718
  164   2HB   GLN  21          2HB       GLN  21  10.190  11.349  -6.371
  165   1HG   GLN  21          1HG       GLN  21   8.120  12.751  -5.985
  166   2HG   GLN  21          2HG       GLN  21   8.815  13.271  -4.444
  167   1HE2  GLN  21          2HE2      GLN  21  11.584  14.910  -6.463
  168   2HE2  GLN  21          1HE2      GLN  21  11.630  13.515  -5.391
  169    HA   PRO  22           HA       PRO  22  10.780   6.755  -3.920
  170   1HB   PRO  22          1HB       PRO  22   9.053   4.750  -3.681
  171   2HB   PRO  22          2HB       PRO  22   9.061   6.095  -2.496
  172   1HG   PRO  22          1HG       PRO  22   7.278   5.821  -4.940
  173   2HG   PRO  22          2HG       PRO  22   6.781   6.031  -3.227
  174   1HD   PRO  22          1HD       PRO  22   7.094   8.181  -4.925
  175   2HD   PRO  22          2HD       PRO  22   7.501   8.275  -3.182
  176    H    ASN  23           H        ASN  23  10.566   4.323  -5.131
  177    HA   ASN  23           HA       ASN  23  10.036   4.712  -8.017
  178   1HB   ASN  23          1HB       ASN  23  12.152   3.655  -8.574
  179   2HB   ASN  23          2HB       ASN  23  12.457   5.087  -7.590
  180   1HD2  ASN  23          2HD2      ASN  23  13.864   1.575  -6.235
  181   2HD2  ASN  23          1HD2      ASN  23  13.380   1.795  -7.904
  182    H    GLU  24           H        GLU  24   9.565   2.864  -9.065
  183    HA   GLU  24           HA       GLU  24   7.668   1.235  -8.205
  184   1HB   GLU  24          1HB       GLU  24   8.418   1.697 -10.518
  185   2HB   GLU  24          2HB       GLU  24   9.844   0.714 -10.259
  186   1HG   GLU  24          1HG       GLU  24   8.449  -0.638 -11.534
  187   2HG   GLU  24          2HG       GLU  24   8.247  -1.290  -9.917
  188    H    ASP  25           H        ASP  25  11.142   0.218  -7.962
  189    HA   ASP  25           HA       ASP  25  10.369  -2.446  -7.068
  190   1HB   ASP  25          1HB       ASP  25  12.562  -2.198  -8.075
  191   2HB   ASP  25          2HB       ASP  25  13.045  -1.028  -6.828
  192    H    THR  26           H        THR  26  11.795   0.429  -5.385
  193    HA   THR  26           HA       THR  26  11.778  -0.635  -2.870
  194    HB   THR  26           HB       THR  26  11.233   2.301  -3.529
  195    HG1  THR  26           HG1      THR  26  13.209   2.417  -4.250
  196   1HG2  THR  26          3HG2      THR  26  11.386   1.522  -1.063
  197   2HG2  THR  26          1HG2      THR  26  13.051   1.058  -1.399
  198   3HG2  THR  26          2HG2      THR  26  12.560   2.761  -1.548
  199    H    VAL  27           H        VAL  27   9.088   1.004  -4.554
  200    HA   VAL  27           HA       VAL  27   7.333   0.936  -2.251
  201    HB   VAL  27           HB       VAL  27   6.460   0.902  -5.168
  202   1HG1  VAL  27          1HG1      VAL  27   5.117   1.723  -2.544
  203   2HG1  VAL  27          2HG1      VAL  27   4.452   2.064  -4.144
  204   3HG1  VAL  27          3HG1      VAL  27   4.635   0.385  -3.615
  205   1HG2  VAL  27          2HG2      VAL  27   7.933   2.899  -4.694
  206   2HG2  VAL  27          3HG2      VAL  27   6.268   3.315  -5.076
  207   3HG2  VAL  27          1HG2      VAL  27   6.822   3.355  -3.391
  208    H    THR  28           H        THR  28   7.868  -1.383  -4.984
  209    HA   THR  28           HA       THR  28   5.866  -3.244  -4.286
  210    HB   THR  28           HB       THR  28   8.499  -3.476  -5.802
  211    HG1  THR  28           HG1      THR  28   7.229  -2.221  -6.937
  212   1HG2  THR  28          2HG2      THR  28   7.746  -5.753  -5.116
  213   2HG2  THR  28          3HG2      THR  28   6.181  -5.419  -5.908
  214   3HG2  THR  28          1HG2      THR  28   7.675  -5.462  -6.857
  215    H    GLN  29           H        GLN  29   9.370  -3.188  -3.356
  216    HA   GLN  29           HA       GLN  29   9.090  -5.517  -1.672
  217   1HB   GLN  29          1HB       GLN  29  11.301  -4.941  -0.788
  218   2HB   GLN  29          2HB       GLN  29  11.243  -5.106  -2.541
  219   1HG   GLN  29          1HG       GLN  29  11.612  -2.845  -2.918
  220   2HG   GLN  29          2HG       GLN  29  11.207  -2.372  -1.258
  221   1HE2  GLN  29          2HE2      GLN  29  15.028  -3.247  -2.141
  222   2HE2  GLN  29          1HE2      GLN  29  13.806  -3.074  -3.388
  223    H    ALA  30           H        ALA  30   9.235  -1.975  -0.890
  224    HA   ALA  30           HA       ALA  30   9.064  -2.345   1.894
  225   1HB   ALA  30          2HB       ALA  30   9.760  -0.207   0.860
  226   2HB   ALA  30          3HB       ALA  30   8.093   0.053   0.286
  227   3HB   ALA  30          1HB       ALA  30   8.440   0.021   2.022
  228    H    ALA  31           H        ALA  31   6.485  -2.279  -0.555
  229    HA   ALA  31           HA       ALA  31   4.304  -2.139   1.368
  230   1HB   ALA  31          3HB       ALA  31   4.122  -1.441  -1.062
  231   2HB   ALA  31          1HB       ALA  31   4.410  -3.104  -1.563
  232   3HB   ALA  31          2HB       ALA  31   2.941  -2.705  -0.662
  233    H    SER  32           H        SER  32   5.781  -4.884  -0.554
  234    HA   SER  32           HA       SER  32   3.902  -6.794   0.601
  235   1HB   SER  32          1HB       SER  32   5.638  -8.487  -0.168
  236   2HB   SER  32          2HB       SER  32   5.006  -7.423  -1.435
  237    HG   SER  32           HG       SER  32   6.902  -6.266  -1.433
  238    H    GLN  33           H        GLN  33   6.951  -5.498   1.754
  239    HA   GLN  33           HA       GLN  33   6.589  -7.033   4.207
  240   1HB   GLN  33          1HB       GLN  33   8.849  -5.277   3.288
  241   2HB   GLN  33          2HB       GLN  33   8.761  -6.027   4.890
  242   1HG   GLN  33          1HG       GLN  33   8.690  -7.549   2.231
  243   2HG   GLN  33          2HG       GLN  33  10.078  -7.418   3.298
  244   1HE2  GLN  33          2HE2      GLN  33   8.715  -9.622   5.874
  245   2HE2  GLN  33          1HE2      GLN  33   9.906  -8.408   5.502
  246    H    VAL  34           H        VAL  34   5.556  -3.824   3.183
  247    HA   VAL  34           HA       VAL  34   5.341  -2.613   5.692
  248    HB   VAL  34           HB       VAL  34   4.522  -1.650   3.417
  249   1HG1  VAL  34          2HG1      VAL  34   2.452  -3.302   3.142
  250   2HG1  VAL  34          3HG1      VAL  34   1.723  -2.234   4.295
  251   3HG1  VAL  34          1HG1      VAL  34   2.315  -1.595   2.761
  252   1HG2  VAL  34          2HG2      VAL  34   3.168  -1.118   6.017
  253   2HG2  VAL  34          3HG2      VAL  34   4.587  -0.314   5.271
  254   3HG2  VAL  34          1HG2      VAL  34   2.983  -0.123   4.559
  255    H    CYS  35           H        CYS  35   3.334  -4.949   4.012
  256    HA   CYS  35           HA       CYS  35   1.307  -5.332   5.961
  257   1HB   CYS  35          1HB       CYS  35   2.471  -7.338   3.951
  258   2HB   CYS  35          2HB       CYS  35   0.868  -7.364   4.697
  259    H    ASP  36           H        ASP  36   4.287  -7.116   5.163
  260    HA   ASP  36           HA       ASP  36   4.026  -9.132   7.083
  261   1HB   ASP  36          1HB       ASP  36   5.749  -8.834   5.234
  262   2HB   ASP  36          2HB       ASP  36   6.699  -7.922   6.408
  263    H    LYS  37           H        LYS  37   5.415  -5.949   7.440
  264    HA   LYS  37           HA       LYS  37   6.328  -6.141  10.136
  265   1HB   LYS  37          1HB       LYS  37   7.176  -4.692   8.238
  266   2HB   LYS  37          2HB       LYS  37   5.746  -3.671   8.425
  267   1HG   LYS  37          1HG       LYS  37   6.480  -3.142  10.751
  268   2HG   LYS  37          2HG       LYS  37   7.906  -4.165  10.526
  269   1HD   LYS  37          1HD       LYS  37   7.236  -1.655   8.919
  270   2HD   LYS  37          2HD       LYS  37   8.401  -1.755  10.247
  271   1HE   LYS  37          1HE       LYS  37   9.710  -3.450   8.901
  272   2HE   LYS  37          2HE       LYS  37   8.592  -3.185   7.557
  273   1HZ   LYS  37          1HZ       LYS  37   9.296  -0.845   7.544
  274   2HZ   LYS  37          2HZ       LYS  37  10.379  -1.141   8.741
  275   3HZ   LYS  37          3HZ       LYS  37  10.559  -1.857   7.280
  276    H    LEU  38           H        LEU  38   3.312  -4.919   8.657
  277    HA   LEU  38           HA       LEU  38   2.256  -3.787  11.131
  278   1HB   LEU  38          1HB       LEU  38   1.028  -4.562   8.452
  279   2HB   LEU  38          2HB       LEU  38   0.058  -3.929   9.769
  280    HG   LEU  38           HG       LEU  38   2.410  -2.352   8.657
  281   1HD1  LEU  38          3HD1      LEU  38  -0.505  -2.253   7.746
  282   2HD1  LEU  38          1HD1      LEU  38   0.788  -1.140   7.241
  283   3HD1  LEU  38          2HD1      LEU  38   0.872  -2.844   6.788
  284   1HD2  LEU  38          3HD2      LEU  38  -0.102  -1.480  10.144
  285   2HD2  LEU  38          1HD2      LEU  38   1.540  -1.578  10.829
  286   3HD2  LEU  38          2HD2      LEU  38   1.186  -0.420   9.542
  287    H    LYS  39           H        LYS  39   2.332  -5.392  12.731
  288    HA   LYS  39           HA       LYS  39   1.605  -8.103  12.110
  289   1HB   LYS  39          1HB       LYS  39   1.941  -8.562  14.498
  290   2HB   LYS  39          2HB       LYS  39   3.217  -7.534  13.858
  291   1HG   LYS  39          1HG       LYS  39   1.774  -5.550  14.832
  292   2HG   LYS  39          2HG       LYS  39   0.983  -6.801  15.789
  293   1HD   LYS  39          1HD       LYS  39   3.994  -6.299  15.695
  294   2HD   LYS  39          2HD       LYS  39   2.941  -5.557  16.880
  295   1HE   LYS  39          1HE       LYS  39   3.081  -8.585  16.600
  296   2HE   LYS  39          2HE       LYS  39   4.309  -7.693  17.498
  297   1HZ   LYS  39          3HZ       LYS  39   1.425  -7.625  18.139
  298   2HZ   LYS  39          1HZ       LYS  39   2.579  -8.465  18.956
  299   3HZ   LYS  39          2HZ       LYS  39   2.618  -6.832  18.949
  300    H    ILE  40           H        ILE  40  -0.195  -9.310  13.065
  301    HA   ILE  40           HA       ILE  40  -2.364  -9.802  13.387
  302    HB   ILE  40           HB       ILE  40  -2.818  -6.901  14.210
  303   1HG1  ILE  40          1HG1      ILE  40  -1.372  -8.006  15.810
  304   2HG1  ILE  40          2HG1      ILE  40  -2.963  -7.718  16.489
  305   1HG2  ILE  40          2HG2      ILE  40  -4.751  -9.236  14.276
  306   2HG2  ILE  40          3HG2      ILE  40  -4.984  -7.687  15.116
  307   3HG2  ILE  40          1HG2      ILE  40  -4.897  -7.728  13.364
  308   1HD1  ILE  40          1HD1      ILE  40  -3.549 -10.124  16.130
  309   2HD1  ILE  40          2HD1      ILE  40  -1.906 -10.407  15.502
  310   3HD1  ILE  40          3HD1      ILE  40  -2.143  -9.901  17.181
  311    H    LEU  41           H        LEU  41  -2.101  -6.566  11.895
  312    HA   LEU  41           HA       LEU  41  -4.211  -7.120  10.013
  313   1HB   LEU  41          1HB       LEU  41  -3.576  -5.045  11.374
  314   2HB   LEU  41          2HB       LEU  41  -2.261  -4.777  10.261
  315    HG   LEU  41           HG       LEU  41  -4.545  -3.497  10.190
  316   1HD1  LEU  41          3HD1      LEU  41  -2.731  -3.025   8.693
  317   2HD1  LEU  41          1HD1      LEU  41  -3.189  -4.379   7.643
  318   3HD1  LEU  41          2HD1      LEU  41  -4.288  -2.988   7.855
  319   1HD2  LEU  41          1HD2      LEU  41  -6.027  -5.434   9.992
  320   2HD2  LEU  41          2HD2      LEU  41  -6.210  -4.325   8.633
  321   3HD2  LEU  41          3HD2      LEU  41  -5.301  -5.837   8.422
  322    H    ARG  42           H        ARG  42  -1.153  -8.194   9.998
  323    HA   ARG  42           HA       ARG  42  -0.059  -7.981   7.432
  324   1HB   ARG  42          1HB       ARG  42   1.093  -9.017   9.304
  325   2HB   ARG  42          2HB       ARG  42  -0.073 -10.348   9.365
  326   1HG   ARG  42          1HG       ARG  42   0.720 -11.271   7.294
  327   2HG   ARG  42          2HG       ARG  42   1.510  -9.757   6.860
  328   1HD   ARG  42          1HD       ARG  42   3.250 -11.167   7.359
  329   2HD   ARG  42          2HD       ARG  42   3.127 -10.108   8.770
  330    HE   ARG  42           HE       ARG  42   1.700 -12.380   9.445
  331   1HH1  ARG  42          2HH2      ARG  42   5.069 -11.752   8.287
  332   2HH1  ARG  42          1HH2      ARG  42   5.782 -12.907   9.301
  333   1HH2  ARG  42          2HH1      ARG  42   2.710 -14.106  10.697
  334   2HH2  ARG  42          1HH1      ARG  42   4.414 -14.324  10.616
  335    H    GLY  43           H        GLY  43  -2.756 -10.076   8.531
  336   1HA   GLY  43          1HA       GLY  43  -2.866 -11.728   6.224
  337   2HA   GLY  43          2HA       GLY  43  -4.221 -11.383   7.312
  338    H    LEU  44           H        LEU  44  -4.614  -8.640   6.953
  339    HA   LEU  44           HA       LEU  44  -6.215  -8.733   4.593
  340   1HB   LEU  44          1HB       LEU  44  -6.568  -7.486   6.856
  341   2HB   LEU  44          2HB       LEU  44  -5.486  -6.261   6.220
  342    HG   LEU  44           HG       LEU  44  -7.767  -5.581   6.022
  343   1HD1  LEU  44          1HD1      LEU  44  -6.168  -4.975   4.165
  344   2HD1  LEU  44          2HD1      LEU  44  -6.919  -6.270   3.201
  345   3HD1  LEU  44          3HD1      LEU  44  -7.882  -4.891   3.764
  346   1HD2  LEU  44          1HD2      LEU  44  -8.840  -7.814   5.951
  347   2HD2  LEU  44          2HD2      LEU  44  -9.458  -6.721   4.707
  348   3HD2  LEU  44          3HD2      LEU  44  -8.322  -8.007   4.262
  349    H    CYS  45           H        CYS  45  -3.427  -6.575   5.489
  350    HA   CYS  45           HA       CYS  45  -2.890  -5.501   3.068
  351   1HB   CYS  45          1HB       CYS  45  -2.003  -4.996   5.353
  352   2HB   CYS  45          2HB       CYS  45  -0.946  -6.374   5.227
  353    H    LYS  46           H        LYS  46  -1.391  -8.642   4.232
  354    HA   LYS  46           HA       LYS  46   0.056  -8.867   1.781
  355   1HB   LYS  46          1HB       LYS  46  -0.438 -10.972   3.874
  356   2HB   LYS  46          2HB       LYS  46   0.303 -11.337   2.306
  357   1HG   LYS  46          1HG       LYS  46   1.872  -9.350   2.685
  358   2HG   LYS  46          2HG       LYS  46   1.289  -9.341   4.355
  359   1HD   LYS  46          1HD       LYS  46   2.426 -11.178   4.949
  360   2HD   LYS  46          2HD       LYS  46   2.519 -11.851   3.301
  361   1HE   LYS  46          1HE       LYS  46   4.058  -9.992   2.632
  362   2HE   LYS  46          2HE       LYS  46   3.977  -9.329   4.248
  363   1HZ   LYS  46          3HZ       LYS  46   5.241 -11.928   3.577
  364   2HZ   LYS  46          1HZ       LYS  46   6.008 -10.506   3.851
  365   3HZ   LYS  46          2HZ       LYS  46   5.220 -11.207   5.077
  366    H    LYS  47           H        LYS  47  -3.318  -9.920   2.522
  367    HA   LYS  47           HA       LYS  47  -3.619 -11.230  -0.032
  368   1HB   LYS  47          1HB       LYS  47  -5.255 -11.645   1.626
  369   2HB   LYS  47          2HB       LYS  47  -5.685  -9.935   1.724
  370   1HG   LYS  47          1HG       LYS  47  -7.280 -11.237   0.433
  371   2HG   LYS  47          2HG       LYS  47  -6.589  -9.937  -0.521
  372   1HD   LYS  47          1HD       LYS  47  -5.051 -11.813  -1.522
  373   2HD   LYS  47          2HD       LYS  47  -6.169 -12.947  -0.777
  374   1HE   LYS  47          1HE       LYS  47  -6.900 -10.724  -2.761
  375   2HE   LYS  47          2HE       LYS  47  -6.591 -12.395  -3.216
  376   1HZ   LYS  47          2HZ       LYS  47  -8.796 -11.503  -1.463
  377   2HZ   LYS  47          3HZ       LYS  47  -8.927 -11.949  -3.035
  378   3HZ   LYS  47          1HZ       LYS  47  -8.503 -13.064  -1.911
  379    H    ILE  48           H        ILE  48  -4.097  -7.785   0.964
  380    HA   ILE  48           HA       ILE  48  -5.145  -6.831  -1.493
  381    HB   ILE  48           HB       ILE  48  -3.423  -5.449   0.597
  382   1HG1  ILE  48          1HG1      ILE  48  -5.813  -6.421   1.153
  383   2HG1  ILE  48          2HG1      ILE  48  -5.236  -4.888   1.792
  384   1HG2  ILE  48          2HG2      ILE  48  -4.980  -4.138  -1.654
  385   2HG2  ILE  48          3HG2      ILE  48  -4.254  -3.293  -0.266
  386   3HG2  ILE  48          1HG2      ILE  48  -3.225  -4.136  -1.417
  387   1HD1  ILE  48          2HD1      ILE  48  -7.056  -5.134  -0.625
  388   2HD1  ILE  48          3HD1      ILE  48  -7.610  -4.901   1.045
  389   3HD1  ILE  48          1HD1      ILE  48  -6.622  -3.653   0.288
  390    H    MET  49           H        MET  49  -1.739  -6.769  -0.300
  391    HA   MET  49           HA       MET  49  -0.571  -5.939  -2.707
  392   1HB   MET  49          1HB       MET  49   0.434  -7.392  -0.251
  393   2HB   MET  49          2HB       MET  49   1.498  -7.107  -1.631
  394   1HG   MET  49          1HG       MET  49   1.671  -5.341   0.087
  395   2HG   MET  49          2HG       MET  49   1.229  -4.741  -1.506
  396   1HE   MET  49          2HE       MET  49   0.831  -2.434  -0.396
  397   2HE   MET  49          3HE       MET  49  -0.323  -2.121   0.907
  398   3HE   MET  49          1HE       MET  49   1.143  -3.078   1.228
  399    H    ARG  50           H        ARG  50  -0.973  -9.416  -1.573
  400    HA   ARG  50           HA       ARG  50   0.310 -10.465  -3.864
  401   1HB   ARG  50          1HB       ARG  50  -0.473 -11.631  -1.717
  402   2HB   ARG  50          2HB       ARG  50  -2.043 -11.831  -2.463
  403   1HG   ARG  50          1HG       ARG  50   0.444 -12.740  -3.953
  404   2HG   ARG  50          2HG       ARG  50  -0.135 -13.709  -2.603
  405   1HD   ARG  50          1HD       ARG  50  -2.183 -14.235  -3.641
  406   2HD   ARG  50          2HD       ARG  50  -2.039 -12.980  -4.853
  407    HE   ARG  50           HE       ARG  50  -0.740 -15.604  -4.817
  408   1HH1  ARG  50          2HH2      ARG  50  -0.852 -12.404  -6.448
  409   2HH1  ARG  50          1HH2      ARG  50  -0.162 -12.990  -7.905
  410   1HH2  ARG  50          2HH1      ARG  50   0.218 -16.351  -6.779
  411   2HH2  ARG  50          1HH1      ARG  50   0.479 -15.276  -8.089
  412    H    SER  51           H        SER  51  -2.934  -9.335  -3.442
  413    HA   SER  51           HA       SER  51  -3.942 -10.362  -5.981
  414   1HB   SER  51          1HB       SER  51  -5.166  -9.997  -3.754
  415   2HB   SER  51          2HB       SER  51  -5.214  -8.277  -4.163
  416    HG   SER  51           HG       SER  51  -6.414  -8.854  -6.000
  417    H    PHE  52           H        PHE  52  -2.731  -7.139  -4.834
  418    HA   PHE  52           HA       PHE  52  -2.919  -6.162  -7.652
  419   1HB   PHE  52          1HB       PHE  52  -3.673  -4.444  -5.279
  420   2HB   PHE  52          2HB       PHE  52  -4.060  -4.210  -6.972
  421    HD1  PHE  52           HD1      PHE  52  -5.662  -6.168  -8.005
  422    HD2  PHE  52           HD2      PHE  52  -5.385  -5.030  -3.854
  423    HE1  PHE  52           HE1      PHE  52  -7.936  -7.069  -7.600
  424    HE2  PHE  52           HE2      PHE  52  -7.665  -5.922  -3.458
  425    HZ   PHE  52           HZ       PHE  52  -8.944  -6.946  -5.332
  426    H    LEU  53           H        LEU  53  -0.421  -6.935  -6.092
  427    HA   LEU  53           HA       LEU  53   0.782  -4.833  -4.914
  428   1HB   LEU  53          1HB       LEU  53   1.713  -7.149  -5.060
  429   2HB   LEU  53          2HB       LEU  53   2.292  -6.805  -6.676
  430    HG   LEU  53           HG       LEU  53   3.886  -5.198  -5.839
  431   1HD1  LEU  53          3HD1      LEU  53   2.588  -5.530  -3.099
  432   2HD1  LEU  53          1HD1      LEU  53   4.140  -4.723  -3.395
  433   3HD1  LEU  53          2HD1      LEU  53   2.673  -4.030  -4.065
  434   1HD2  LEU  53          2HD2      LEU  53   3.734  -7.653  -4.007
  435   2HD2  LEU  53          3HD2      LEU  53   4.495  -7.582  -5.614
  436   3HD2  LEU  53          1HD2      LEU  53   5.180  -6.667  -4.264
  437    H    ARG  54           H        ARG  54   1.406  -5.482  -8.429
  438    HA   ARG  54           HA       ARG  54   2.876  -3.120  -8.856
  439   1HB   ARG  54          1HB       ARG  54   2.570  -5.089 -10.461
  440   2HB   ARG  54          2HB       ARG  54   0.992  -4.417 -10.873
  441   1HG   ARG  54          1HG       ARG  54   2.465  -3.707 -12.587
  442   2HG   ARG  54          2HG       ARG  54   2.210  -2.279 -11.590
  443   1HD   ARG  54          1HD       ARG  54   4.404  -2.926 -10.380
  444   2HD   ARG  54          2HD       ARG  54   4.662  -4.103 -11.668
  445    HE   ARG  54           HE       ARG  54   4.953  -1.227 -11.676
  446   1HH1  ARG  54          2HH2      ARG  54   4.675  -4.005 -13.866
  447   2HH1  ARG  54          1HH2      ARG  54   5.412  -3.184 -15.203
  448   1HH2  ARG  54          2HH1      ARG  54   5.907  -0.220 -13.300
  449   2HH2  ARG  54          1HH1      ARG  54   6.150  -0.872 -14.900
  450    H    ARG  55           H        ARG  55  -0.744  -3.359  -8.434
  451    HA   ARG  55           HA       ARG  55  -1.129  -0.746  -9.547
  452   1HB   ARG  55          1HB       ARG  55  -2.851  -2.527  -7.761
  453   2HB   ARG  55          2HB       ARG  55  -3.330  -1.011  -8.399
  454   1HG   ARG  55          1HG       ARG  55  -2.734  -3.499 -10.008
  455   2HG   ARG  55          2HG       ARG  55  -4.328  -2.860  -9.659
  456   1HD   ARG  55          1HD       ARG  55  -2.250  -1.374 -11.317
  457   2HD   ARG  55          2HD       ARG  55  -3.447  -2.456 -12.004
  458    HE   ARG  55           HE       ARG  55  -3.889   0.190 -10.755
  459   1HH1  ARG  55          2HH2      ARG  55  -5.372  -2.519 -12.527
  460   2HH1  ARG  55          1HH2      ARG  55  -6.749  -1.608 -13.022
  461   1HH2  ARG  55          2HH1      ARG  55  -5.681   1.376 -11.412
  462   2HH2  ARG  55          1HH1      ARG  55  -6.945   0.679 -12.349
  463    H    ILE  56           H        ILE  56  -0.730  -2.204  -6.219
  464    HA   ILE  56           HA       ILE  56  -1.102   0.294  -4.930
  465    HB   ILE  56           HB       ILE  56   0.595  -2.033  -3.951
  466   1HG1  ILE  56          1HG1      ILE  56  -1.529  -2.994  -4.223
  467   2HG1  ILE  56          2HG1      ILE  56  -1.512  -2.504  -2.553
  468   1HG2  ILE  56          2HG2      ILE  56  -0.524   0.454  -2.633
  469   2HG2  ILE  56          3HG2      ILE  56  -0.093  -0.978  -1.682
  470   3HG2  ILE  56          1HG2      ILE  56   1.140  -0.138  -2.630
  471   1HD1  ILE  56          2HD1      ILE  56  -2.826  -0.419  -3.237
  472   2HD1  ILE  56          3HD1      ILE  56  -2.956  -1.122  -4.861
  473   3HD1  ILE  56          1HD1      ILE  56  -3.671  -1.966  -3.488
  474    H    SER  57           H        SER  57   1.771  -1.007  -6.574
  475    HA   SER  57           HA       SER  57   3.488   1.079  -5.674
  476   1HB   SER  57          1HB       SER  57   4.225  -1.099  -6.689
  477   2HB   SER  57          2HB       SER  57   3.573  -0.567  -8.248
  478    HG   SER  57           HG       SER  57   5.553  -0.022  -8.425
  479    H    TRP  58           H        TRP  58   1.687   0.781  -8.829
  480    HA   TRP  58           HA       TRP  58   2.112   3.338  -9.839
  481   1HB   TRP  58          1HB       TRP  58   0.838   2.230 -11.340
  482   2HB   TRP  58          2HB       TRP  58  -0.011   1.308 -10.121
  483    HD1  TRP  58           HD1      TRP  58  -0.171   4.973 -11.426
  484    HE1  TRP  58           HE1      TRP  58  -2.542   5.820 -11.205
  485    HE3  TRP  58           HE3      TRP  58  -2.305   0.966  -9.165
  486    HZ2  TRP  58           HZ2      TRP  58  -5.270   4.499 -10.925
  487    HZ3  TRP  58           HZ3      TRP  58  -4.638   0.883  -8.691
  488    HH2  TRP  58           HH2      TRP  58  -6.200   2.541  -9.580
  489    H    ASP  59           H        ASP  59  -0.300   2.392  -7.426
  490    HA   ASP  59           HA       ASP  59  -1.582   4.865  -7.075
  491   1HB   ASP  59          1HB       ASP  59  -1.207   2.454  -5.275
  492   2HB   ASP  59          2HB       ASP  59  -1.951   3.880  -4.662
  493    HD1  ASP  59           HD2      ASP  59  -4.801   3.515  -6.996
  494    H    ILE  60           H        ILE  60   1.320   3.660  -5.198
  495    HA   ILE  60           HA       ILE  60   1.583   6.183  -3.830
  496    HB   ILE  60           HB       ILE  60   3.855   4.249  -4.349
  497   1HG1  ILE  60          1HG1      ILE  60   2.388   2.816  -3.221
  498   2HG1  ILE  60          2HG1      ILE  60   3.369   3.490  -1.939
  499   1HG2  ILE  60          3HG2      ILE  60   4.500   6.481  -3.498
  500   2HG2  ILE  60          1HG2      ILE  60   3.341   6.336  -2.171
  501   3HG2  ILE  60          2HG2      ILE  60   4.744   5.259  -2.258
  502   1HD1  ILE  60          3HD1      ILE  60   1.487   5.052  -1.397
  503   2HD1  ILE  60          1HD1      ILE  60   0.498   4.197  -2.615
  504   3HD1  ILE  60          2HD1      ILE  60   1.118   3.322  -1.214
  505    H    LEU  61           H        LEU  61   3.135   4.850  -6.784
  506    HA   LEU  61           HA       LEU  61   4.944   6.943  -7.235
  507   1HB   LEU  61          1HB       LEU  61   3.541   5.114  -9.212
  508   2HB   LEU  61          2HB       LEU  61   4.877   6.167  -9.651
  509    HG   LEU  61           HG       LEU  61   5.150   4.039  -7.489
  510   1HD1  LEU  61          1HD1      LEU  61   4.509   2.950  -9.607
  511   2HD1  LEU  61          2HD1      LEU  61   5.803   3.818 -10.462
  512   3HD1  LEU  61          3HD1      LEU  61   6.188   2.618  -9.212
  513   1HD2  LEU  61          3HD2      LEU  61   6.894   5.822  -7.479
  514   2HD2  LEU  61          1HD2      LEU  61   7.531   4.236  -7.901
  515   3HD2  LEU  61          2HD2      LEU  61   7.263   5.448  -9.172
  516    H    THR  62           H        THR  62   1.521   6.793  -8.157
  517    HA   THR  62           HA       THR  62   1.686   9.378  -9.572
  518    HB   THR  62           HB       THR  62  -0.822   9.075  -9.778
  519    HG1  THR  62           HG1      THR  62  -0.198   6.475  -8.803
  520   1HG2  THR  62          1HG2      THR  62   0.754   8.538 -11.570
  521   2HG2  THR  62          2HG2      THR  62   0.989   6.908 -10.913
  522   3HG2  THR  62          3HG2      THR  62  -0.602   7.404 -11.555
  523    H    GLY  63           H        GLY  63   2.255   8.943  -6.579
  524   1HA   GLY  63          1HA       GLY  63   1.885   9.793  -4.543
  525   2HA   GLY  63          2HA       GLY  63   1.747  11.331  -5.414
  526    H    LYS  64           H        LYS  64  -0.429   8.419  -5.311
  527    HA   LYS  64           HA       LYS  64  -2.643  10.347  -5.079
  528   1HB   LYS  64          1HB       LYS  64  -2.561   8.461  -6.693
  529   2HB   LYS  64          2HB       LYS  64  -2.664   7.296  -5.377
  530   1HG   LYS  64          1HG       LYS  64  -4.890   8.387  -4.737
  531   2HG   LYS  64          2HG       LYS  64  -4.741   9.386  -6.192
  532   1HD   LYS  64          1HD       LYS  64  -4.962   6.353  -6.041
  533   2HD   LYS  64          2HD       LYS  64  -6.173   7.474  -6.669
  534   1HE   LYS  64          1HE       LYS  64  -4.668   8.090  -8.539
  535   2HE   LYS  64          2HE       LYS  64  -3.390   7.058  -7.873
  536   1HZ   LYS  64          3HZ       LYS  64  -4.911   5.163  -8.142
  537   2HZ   LYS  64          1HZ       LYS  64  -6.002   6.067  -8.870
  538   3HZ   LYS  64          2HZ       LYS  64  -4.519   5.862  -9.567
  539    H    LYS  65           H        LYS  65  -4.013  10.399  -3.297
  540    HA   LYS  65           HA       LYS  65  -2.659   9.713  -0.787
  541   1HB   LYS  65          1HB       LYS  65  -5.077  11.346  -1.460
  542   2HB   LYS  65          2HB       LYS  65  -4.869  10.813   0.191
  543   1HG   LYS  65          1HG       LYS  65  -3.979  13.099  -0.350
  544   2HG   LYS  65          2HG       LYS  65  -2.893  12.039   0.509
  545   1HD   LYS  65          1HD       LYS  65  -2.653  12.537  -2.484
  546   2HD   LYS  65          2HD       LYS  65  -1.925  13.583  -1.288
  547   1HE   LYS  65          1HE       LYS  65  -1.238  10.643  -1.686
  548   2HE   LYS  65          2HE       LYS  65  -0.287  12.006  -2.221
  549   1HZ   LYS  65          3HZ       LYS  65  -0.896  11.652   0.641
  550   2HZ   LYS  65          1HZ       LYS  65   0.245  10.782  -0.010
  551   3HZ   LYS  65          2HZ       LYS  65   0.393  12.430  -0.059
  552    HA   PRO  66           HA       PRO  66  -4.104   5.889   0.238
  553   1HB   PRO  66          1HB       PRO  66  -4.769   6.022   2.936
  554   2HB   PRO  66          2HB       PRO  66  -3.107   6.008   2.292
  555   1HG   PRO  66          1HG       PRO  66  -4.760   8.423   3.059
  556   2HG   PRO  66          2HG       PRO  66  -3.059   8.055   3.483
  557   1HD   PRO  66          1HD       PRO  66  -3.542   9.681   1.461
  558   2HD   PRO  66          2HD       PRO  66  -2.318   8.388   1.245
  559    H    GLN  67           H        GLN  67  -6.469   8.180   1.738
  560    HA   GLN  67           HA       GLN  67  -8.680   6.390   1.718
  561   1HB   GLN  67          1HB       GLN  67  -8.762   8.338   3.054
  562   2HB   GLN  67          2HB       GLN  67  -8.391   9.417   1.724
  563   1HG   GLN  67          1HG       GLN  67 -10.973   7.798   1.850
  564   2HG   GLN  67          2HG       GLN  67 -10.798   9.383   2.609
  565   1HE2  GLN  67          2HE2      GLN  67 -12.229   9.880  -0.829
  566   2HE2  GLN  67          1HE2      GLN  67 -12.747   8.874   0.511
  567    H    ALA  68           H        ALA  68  -7.315   8.470  -0.845
  568    HA   ALA  68           HA       ALA  68  -9.550   8.024  -2.603
  569   1HB   ALA  68          3HB       ALA  68  -6.734   9.062  -3.187
  570   2HB   ALA  68          1HB       ALA  68  -8.129   9.139  -4.279
  571   3HB   ALA  68          2HB       ALA  68  -8.152  10.051  -2.758
  572    H    ILE  69           H        ILE  69  -6.229   6.602  -2.257
  573    HA   ILE  69           HA       ILE  69  -6.269   4.856  -4.459
  574    HB   ILE  69           HB       ILE  69  -4.996   4.654  -1.713
  575   1HG1  ILE  69          1HG1      ILE  69  -3.756   5.037  -4.457
  576   2HG1  ILE  69          2HG1      ILE  69  -4.317   6.387  -3.530
  577   1HG2  ILE  69          3HG2      ILE  69  -4.798   2.686  -4.032
  578   2HG2  ILE  69          1HG2      ILE  69  -3.567   2.786  -2.762
  579   3HG2  ILE  69          2HG2      ILE  69  -5.215   2.340  -2.348
  580   1HD1  ILE  69          2HD1      ILE  69  -2.235   4.470  -2.412
  581   2HD1  ILE  69          3HD1      ILE  69  -1.863   5.945  -3.302
  582   3HD1  ILE  69          1HD1      ILE  69  -2.753   6.044  -1.773
  583    H    CYS  70           H        CYS  70  -7.569   4.241  -1.151
  584    HA   CYS  70           HA       CYS  70  -8.459   1.611  -1.829
  585   1HB   CYS  70          1HB       CYS  70  -9.609   3.523   0.266
  586   2HB   CYS  70          2HB       CYS  70  -9.723   1.756   0.285
  587    H    VAL  71           H        VAL  71 -10.202   4.762  -2.258
  588    HA   VAL  71           HA       VAL  71 -12.615   3.348  -3.112
  589    HB   VAL  71           HB       VAL  71 -11.762   6.249  -3.256
  590   1HG1  VAL  71          1HG1      VAL  71 -13.404   5.770  -5.087
  591   2HG1  VAL  71          2HG1      VAL  71 -14.542   5.141  -3.864
  592   3HG1  VAL  71          3HG1      VAL  71 -14.046   6.830  -3.835
  593   1HG2  VAL  71          1HG2      VAL  71 -12.227   5.351  -0.965
  594   2HG2  VAL  71          2HG2      VAL  71 -13.445   6.521  -1.465
  595   3HG2  VAL  71          3HG2      VAL  71 -13.825   4.794  -1.520
  596    H    ASP  72           H        ASP  72  -9.795   4.779  -4.715
  597    HA   ASP  72           HA       ASP  72 -10.370   4.711  -7.392
  598   1HB   ASP  72          1HB       ASP  72  -8.518   5.830  -6.514
  599   2HB   ASP  72          2HB       ASP  72  -7.890   4.409  -5.735
  600    H    ILE  73           H        ILE  73  -8.668   1.975  -5.687
  601    HA   ILE  73           HA       ILE  73  -9.339   0.291  -8.074
  602    HB   ILE  73           HB       ILE  73  -7.926  -1.464  -6.780
  603   1HG1  ILE  73          1HG1      ILE  73  -6.933   1.097  -5.442
  604   2HG1  ILE  73          2HG1      ILE  73  -7.964  -0.100  -4.622
  605   1HG2  ILE  73          2HG2      ILE  73  -7.334  -0.309  -8.877
  606   2HG2  ILE  73          3HG2      ILE  73  -6.649   1.016  -7.904
  607   3HG2  ILE  73          1HG2      ILE  73  -5.951  -0.634  -7.836
  608   1HD1  ILE  73          1HD1      ILE  73  -6.183  -1.789  -5.127
  609   2HD1  ILE  73          2HD1      ILE  73  -5.176  -0.435  -5.728
  610   3HD1  ILE  73          3HD1      ILE  73  -5.702  -0.453  -4.028
  611    H    LYS  74           H        LYS  74 -10.853   1.193  -5.449
  612    HA   LYS  74           HA       LYS  74 -12.544   0.877  -4.371
  613   1HB   LYS  74          1HB       LYS  74 -13.421   0.974  -6.654
  614   2HB   LYS  74          2HB       LYS  74 -13.600  -0.801  -6.643
  615   1HG   LYS  74          1HG       LYS  74 -14.966  -0.753  -4.759
  616   2HG   LYS  74          2HG       LYS  74 -14.598   0.869  -4.324
  617   1HD   LYS  74          1HD       LYS  74 -16.449   0.137  -6.593
  618   2HD   LYS  74          2HD       LYS  74 -16.861   0.877  -5.100
  619   1HE   LYS  74          1HE       LYS  74 -15.414   2.077  -7.462
  620   2HE   LYS  74          2HE       LYS  74 -16.882   2.626  -6.638
  621   1HZ   LYS  74          3HZ       LYS  74 -15.246   2.999  -4.669
  622   2HZ   LYS  74          1HZ       LYS  74 -14.083   2.930  -5.786
  623   3HZ   LYS  74          2HZ       LYS  74 -15.237   4.083  -5.917
  624    H    ILE  75           H        ILE  75 -11.388   0.097  -2.956
  625    HA   ILE  75           HA       ILE  75 -11.748  -2.589  -1.802
  626    HB   ILE  75           HB       ILE  75  -9.525  -0.515  -1.716
  627   1HG1  ILE  75          1HG1      ILE  75  -9.614  -3.474  -2.491
  628   2HG1  ILE  75          2HG1      ILE  75  -9.542  -2.106  -3.608
  629   1HG2  ILE  75          2HG2      ILE  75  -9.786  -2.924   0.129
  630   2HG2  ILE  75          3HG2      ILE  75  -8.333  -1.906  -0.038
  631   3HG2  ILE  75          1HG2      ILE  75  -9.792  -1.210   0.608
  632   1HD1  ILE  75          1HD1      ILE  75  -7.362  -1.435  -2.502
  633   2HD1  ILE  75          2HD1      ILE  75  -7.398  -3.013  -1.692
  634   3HD1  ILE  75          3HD1      ILE  75  -7.347  -2.954  -3.452
  635    H    CYS  76           H        CYS  76 -12.481   0.845  -1.509
  636    HA   CYS  76           HA       CYS  76 -12.529   0.778   1.369
  637   1HB   CYS  76          1HB       CYS  76 -12.178   2.800  -0.089
  638   2HB   CYS  76          2HB       CYS  76 -13.822   2.631  -0.685
  639    H    LYS  77           H        LYS  77 -14.964   0.453  -1.106
  640    HA   LYS  77           HA       LYS  77 -16.929  -0.326  -1.254
  641   1HB   LYS  77          1HB       LYS  77 -16.500  -2.457  -0.390
  642   2HB   LYS  77          2HB       LYS  77 -16.492  -1.891   1.283
  643   1HG   LYS  77          1HG       LYS  77 -18.559  -3.145   0.728
  644   2HG   LYS  77          2HG       LYS  77 -18.893  -1.518   1.267
  645   1HD   LYS  77          1HD       LYS  77 -19.127  -0.898  -1.275
  646   2HD   LYS  77          2HD       LYS  77 -19.090  -2.636  -1.544
  647   1HE   LYS  77          1HE       LYS  77 -21.360  -2.263  -1.418
  648   2HE   LYS  77          2HE       LYS  77 -21.022  -2.688   0.265
  649   1HZ   LYS  77          3HZ       LYS  77 -20.929  -0.132   0.626
  650   2HZ   LYS  77          1HZ       LYS  77 -21.364   0.062  -0.845
  651   3HZ   LYS  77          2HZ       LYS  77 -22.412  -0.687   0.149
  652    H    GLU  78           H        GLU  78 -17.608   1.368  -1.447
  653    HA   GLU  78           HA       GLU  78 -18.593   3.485   0.173
  654   1HB   GLU  78          1HB       GLU  78 -19.118   2.538  -2.720
  655   2HB   GLU  78          2HB       GLU  78 -19.355   4.157  -2.100
  656   1HG   GLU  78          1HG       GLU  78 -17.503   3.974  -3.664
  657   2HG   GLU  78          2HG       GLU  78 -16.923   4.514  -2.090
   
  No H/Q in entry =         657
  Start of MODEL   20
    1   1H    GLY   1          2H        GLY   1 -16.392  -4.481   2.961
    2   2H    GLY   1          3H        GLY   1 -16.924  -3.089   2.207
    3   3H    GLY   1          1H        GLY   1 -15.356  -3.299   2.455
    4   1HA   GLY   1          1HA       GLY   1 -16.255  -1.744   4.002
    5   2HA   GLY   1          2HA       GLY   1 -17.382  -3.011   4.571
    6    H    TYR   2           H        TYR   2 -15.628  -1.733   6.409
    7    HA   TYR   2           HA       TYR   2 -13.943  -1.827   7.870
    8   1HB   TYR   2          1HB       TYR   2 -14.655  -3.960   8.638
    9   2HB   TYR   2          2HB       TYR   2 -13.959  -4.790   7.259
   10    HD1  TYR   2           HD1      TYR   2 -12.773  -2.457  10.014
   11    HD2  TYR   2           HD2      TYR   2 -11.987  -5.966   7.617
   12    HE1  TYR   2           HE1      TYR   2 -10.677  -2.848  11.266
   13    HE2  TYR   2           HE2      TYR   2  -9.910  -6.366   8.879
   14    HH   TYR   2           HH       TYR   2  -8.612  -5.704  10.701
   15    H    PHE   3           H        PHE   3 -13.140  -3.575   4.937
   16    HA   PHE   3           HA       PHE   3 -10.543  -3.262   4.520
   17   1HB   PHE   3          1HB       PHE   3 -12.950  -2.899   2.714
   18   2HB   PHE   3          2HB       PHE   3 -11.339  -2.788   2.086
   19    HD1  PHE   3           HD1      PHE   3  -9.668  -4.748   2.947
   20    HD2  PHE   3           HD2      PHE   3 -13.914  -5.006   2.272
   21    HE1  PHE   3           HE1      PHE   3  -9.465  -7.194   2.612
   22    HE2  PHE   3           HE2      PHE   3 -13.721  -7.452   1.963
   23    HZ   PHE   3           HZ       PHE   3 -11.506  -8.549   2.138
   24    H    CYS   4           H        CYS   4 -12.841  -0.468   4.148
   25    HA   CYS   4           HA       CYS   4 -11.032   1.300   3.066
   26   1HB   CYS   4          1HB       CYS   4 -13.480   1.912   3.600
   27   2HB   CYS   4          2HB       CYS   4 -12.978   2.128   5.268
   28    H    GLU   5           H        GLU   5 -11.506   0.814   6.630
   29    HA   GLU   5           HA       GLU   5  -9.535   2.782   7.321
   30   1HB   GLU   5          1HB       GLU   5 -11.472   1.815   8.753
   31   2HB   GLU   5          2HB       GLU   5 -10.396   0.462   9.096
   32   1HG   GLU   5          1HG       GLU   5  -9.906   3.423   9.668
   33   2HG   GLU   5          2HG       GLU   5 -10.301   2.186  10.858
   34    H    SER   6           H        SER   6  -9.549  -0.777   7.150
   35    HA   SER   6           HA       SER   6  -6.897  -1.339   7.845
   36   1HB   SER   6          1HB       SER   6  -8.591  -2.625   5.654
   37   2HB   SER   6          2HB       SER   6  -7.096  -3.304   6.305
   38    HG   SER   6           HG       SER   6  -9.419  -2.743   7.867
   39    H    CYS   7           H        CYS   7  -8.124  -0.590   4.552
   40    HA   CYS   7           HA       CYS   7  -5.642  -0.646   3.195
   41   1HB   CYS   7          1HB       CYS   7  -7.836  -0.874   2.204
   42   2HB   CYS   7          2HB       CYS   7  -8.254   0.784   2.593
   43    H    ARG   8           H        ARG   8  -7.490   2.086   4.658
   44    HA   ARG   8           HA       ARG   8  -5.774   4.136   3.731
   45   1HB   ARG   8          1HB       ARG   8  -8.098   4.351   4.858
   46   2HB   ARG   8          2HB       ARG   8  -7.254   4.172   6.405
   47   1HG   ARG   8          1HG       ARG   8  -5.768   6.145   5.605
   48   2HG   ARG   8          2HG       ARG   8  -6.951   6.346   4.300
   49   1HD   ARG   8          1HD       ARG   8  -8.748   6.525   6.087
   50   2HD   ARG   8          2HD       ARG   8  -7.464   6.579   7.302
   51    HE   ARG   8           HE       ARG   8  -8.377   8.627   5.494
   52   1HH1  ARG   8          2HH2      ARG   8  -5.504   7.604   7.331
   53   2HH1  ARG   8          1HH2      ARG   8  -4.563   9.010   6.984
   54   1HH2  ARG   8          2HH1      ARG   8  -7.303  10.722   5.454
   55   2HH2  ARG   8          1HH1      ARG   8  -5.710  10.894   6.109
   56    H    LYS   9           H        LYS   9  -5.741   2.303   6.827
   57    HA   LYS   9           HA       LYS   9  -3.379   3.476   7.887
   58   1HB   LYS   9          1HB       LYS   9  -5.097   2.213   9.139
   59   2HB   LYS   9          2HB       LYS   9  -4.635   0.722   8.317
   60   1HG   LYS   9          1HG       LYS   9  -2.407   0.816   9.318
   61   2HG   LYS   9          2HG       LYS   9  -2.771   2.359  10.099
   62   1HD   LYS   9          1HD       LYS   9  -4.458  -0.128  10.645
   63   2HD   LYS   9          2HD       LYS   9  -2.910   0.129  11.438
   64   1HE   LYS   9          1HE       LYS   9  -4.409   0.943  12.992
   65   2HE   LYS   9          2HE       LYS   9  -3.771   2.402  12.227
   66   1HZ   LYS   9          1HZ       LYS   9  -6.405   1.171  11.521
   67   2HZ   LYS   9          2HZ       LYS   9  -6.213   2.425  12.545
   68   3HZ   LYS   9          3HZ       LYS   9  -5.893   2.542  10.960
   69    H    ILE  10           H        ILE  10  -3.847   0.542   5.896
   70    HA   ILE  10           HA       ILE  10  -1.185  -0.363   5.866
   71    HB   ILE  10           HB       ILE  10  -3.592  -0.779   4.095
   72   1HG1  ILE  10          1HG1      ILE  10  -1.950  -2.755   5.739
   73   2HG1  ILE  10          2HG1      ILE  10  -3.227  -1.796   6.455
   74   1HG2  ILE  10          1HG2      ILE  10  -0.824  -1.907   3.625
   75   2HG2  ILE  10          2HG2      ILE  10  -2.296  -2.652   2.960
   76   3HG2  ILE  10          3HG2      ILE  10  -1.850  -1.024   2.477
   77   1HD1  ILE  10          2HD1      ILE  10  -4.901  -2.794   4.916
   78   2HD1  ILE  10          3HD1      ILE  10  -3.642  -3.787   4.183
   79   3HD1  ILE  10          1HD1      ILE  10  -4.064  -4.023   5.868
   80    H    ILE  11           H        ILE  11  -2.847   1.746   3.403
   81    HA   ILE  11           HA       ILE  11  -0.418   2.186   1.937
   82    HB   ILE  11           HB       ILE  11  -3.027   3.738   2.076
   83   1HG1  ILE  11          1HG1      ILE  11  -3.245   1.672   0.792
   84   2HG1  ILE  11          2HG1      ILE  11  -3.320   3.063  -0.276
   85   1HG2  ILE  11          2HG2      ILE  11  -0.583   4.427   0.387
   86   2HG2  ILE  11          3HG2      ILE  11  -2.213   5.085   0.138
   87   3HG2  ILE  11          1HG2      ILE  11  -1.342   5.439   1.616
   88   1HD1  ILE  11          2HD1      ILE  11  -0.984   2.642  -1.004
   89   2HD1  ILE  11          3HD1      ILE  11  -0.938   1.196   0.040
   90   3HD1  ILE  11          1HD1      ILE  11  -2.076   1.294  -1.314
   91    H    GLN  12           H        GLN  12  -2.003   4.171   4.553
   92    HA   GLN  12           HA       GLN  12  -0.166   6.256   4.385
   93   1HB   GLN  12          1HB       GLN  12  -1.733   5.195   6.751
   94   2HB   GLN  12          2HB       GLN  12  -0.731   6.642   6.866
   95   1HG   GLN  12          1HG       GLN  12  -2.647   6.548   4.555
   96   2HG   GLN  12          2HG       GLN  12  -3.343   6.677   6.162
   97   1HE2  GLN  12          2HE2      GLN  12  -1.054   9.870   4.861
   98   2HE2  GLN  12          1HE2      GLN  12  -0.822   8.379   4.011
   99    H    LYS  13           H        LYS  13   0.279   3.264   6.502
  100    HA   LYS  13           HA       LYS  13   2.776   4.447   7.301
  101   1HB   LYS  13          1HB       LYS  13   1.503   2.824   8.727
  102   2HB   LYS  13          2HB       LYS  13   2.094   1.523   7.690
  103   1HG   LYS  13          1HG       LYS  13   3.385   1.928   9.851
  104   2HG   LYS  13          2HG       LYS  13   4.372   1.891   8.390
  105   1HD   LYS  13          1HD       LYS  13   4.630   4.264   8.370
  106   2HD   LYS  13          2HD       LYS  13   3.403   4.508   9.621
  107   1HE   LYS  13          1HE       LYS  13   4.874   3.592  11.308
  108   2HE   LYS  13          2HE       LYS  13   6.043   3.068  10.070
  109   1HZ   LYS  13          2HZ       LYS  13   5.361   5.937  10.337
  110   2HZ   LYS  13          3HZ       LYS  13   6.630   5.264  11.186
  111   3HZ   LYS  13          1HZ       LYS  13   6.515   5.322   9.539
  112    H    LEU  14           H        LEU  14   1.893   2.577   4.480
  113    HA   LEU  14           HA       LEU  14   4.619   1.764   3.866
  114   1HB   LEU  14          1HB       LEU  14   2.584   0.667   2.906
  115   2HB   LEU  14          2HB       LEU  14   2.180   2.121   2.060
  116    HG   LEU  14           HG       LEU  14   3.379   0.166   0.862
  117   1HD1  LEU  14          1HD1      LEU  14   2.807   2.249  -0.206
  118   2HD1  LEU  14          2HD1      LEU  14   4.282   3.026   0.405
  119   3HD1  LEU  14          3HD1      LEU  14   4.396   1.698  -0.746
  120   1HD2  LEU  14          1HD2      LEU  14   5.384   0.010   2.374
  121   2HD2  LEU  14          2HD2      LEU  14   5.772   0.248   0.659
  122   3HD2  LEU  14          3HD2      LEU  14   5.906   1.586   1.784
  123    H    GLU  15           H        GLU  15   2.447   4.389   2.866
  124    HA   GLU  15           HA       GLU  15   4.096   5.798   1.117
  125   1HB   GLU  15          1HB       GLU  15   1.610   5.893   1.444
  126   2HB   GLU  15          2HB       GLU  15   1.840   6.585   3.041
  127   1HG   GLU  15          1HG       GLU  15   2.665   8.674   2.022
  128   2HG   GLU  15          2HG       GLU  15   2.452   7.958   0.415
  129    H    ASP  16           H        ASP  16   3.613   6.208   4.602
  130    HA   ASP  16           HA       ASP  16   5.477   8.245   5.172
  131   1HB   ASP  16          1HB       ASP  16   3.887   7.532   6.817
  132   2HB   ASP  16          2HB       ASP  16   4.283   5.843   6.586
  133    H    MET  17           H        MET  17   6.043   4.684   5.092
  134    HA   MET  17           HA       MET  17   8.808   5.085   5.844
  135   1HB   MET  17          1HB       MET  17   7.324   2.658   4.767
  136   2HB   MET  17          2HB       MET  17   9.040   2.648   5.214
  137   1HG   MET  17          1HG       MET  17   8.401   3.414   7.511
  138   2HG   MET  17          2HG       MET  17   6.721   3.213   7.079
  139   1HE   MET  17          2HE       MET  17   6.911   0.496   5.268
  140   2HE   MET  17          3HE       MET  17   8.675   0.324   5.312
  141   3HE   MET  17          1HE       MET  17   7.646  -0.906   6.072
  142    H    VAL  18           H        VAL  18   7.215   4.320   2.666
  143    HA   VAL  18           HA       VAL  18   9.793   3.963   1.382
  144    HB   VAL  18           HB       VAL  18   7.519   2.939   0.762
  145   1HG1  VAL  18          1HG1      VAL  18   6.237   5.020   0.543
  146   2HG1  VAL  18          2HG1      VAL  18   7.197   5.434  -0.884
  147   3HG1  VAL  18          3HG1      VAL  18   6.183   3.979  -0.905
  148   1HG2  VAL  18          3HG2      VAL  18   9.615   3.831  -1.166
  149   2HG2  VAL  18          1HG2      VAL  18   9.317   2.258  -0.423
  150   3HG2  VAL  18          2HG2      VAL  18   8.220   2.841  -1.680
  151    H    GLY  19           H        GLY  19   7.643   6.629   2.124
  152   1HA   GLY  19          1HA       GLY  19   8.106   8.799   2.301
  153   2HA   GLY  19          2HA       GLY  19   9.651   8.601   1.448
  154    HA   PRO  20           HA       PRO  20   6.256  10.344  -1.259
  155   1HB   PRO  20          1HB       PRO  20   7.024  12.958  -1.611
  156   2HB   PRO  20          2HB       PRO  20   6.236  12.399  -0.103
  157   1HG   PRO  20          1HG       PRO  20   9.219  12.679  -0.647
  158   2HG   PRO  20          2HG       PRO  20   8.286  13.349   0.731
  159   1HD   PRO  20          1HD       PRO  20   9.633  10.979   0.913
  160   2HD   PRO  20          2HD       PRO  20   8.060  11.221   1.733
  161    H    GLN  21           H        GLN  21   9.292   9.543  -1.811
  162    HA   GLN  21           HA       GLN  21   9.182  10.099  -4.741
  163   1HB   GLN  21          1HB       GLN  21  11.536  10.842  -2.955
  164   2HB   GLN  21          2HB       GLN  21  11.590  10.806  -4.721
  165   1HG   GLN  21          1HG       GLN  21   9.958  12.600  -4.888
  166   2HG   GLN  21          2HG       GLN  21   9.695  12.592  -3.143
  167   1HE2  GLN  21          2HE2      GLN  21  13.238  14.190  -4.467
  168   2HE2  GLN  21          1HE2      GLN  21  12.489  12.955  -5.472
  169    HA   PRO  22           HA       PRO  22  10.915   5.906  -3.685
  170   1HB   PRO  22          1HB       PRO  22   8.900   4.226  -3.737
  171   2HB   PRO  22          2HB       PRO  22   8.954   5.466  -2.446
  172   1HG   PRO  22          1HG       PRO  22   7.400   5.651  -5.053
  173   2HG   PRO  22          2HG       PRO  22   6.801   5.813  -3.368
  174   1HD   PRO  22          1HD       PRO  22   7.649   7.981  -4.904
  175   2HD   PRO  22          2HD       PRO  22   7.715   7.918  -3.119
  176    H    ASN  23           H        ASN  23  10.401   3.726  -5.211
  177    HA   ASN  23           HA       ASN  23   9.810   4.451  -7.977
  178   1HB   ASN  23          1HB       ASN  23  11.773   3.357  -8.878
  179   2HB   ASN  23          2HB       ASN  23  12.292   4.663  -7.812
  180   1HD2  ASN  23          2HD2      ASN  23  13.826   2.437  -5.485
  181   2HD2  ASN  23          1HD2      ASN  23  13.627   4.103  -6.006
  182    H    GLU  24           H        GLU  24   9.462   2.451  -9.221
  183    HA   GLU  24           HA       GLU  24   7.510   0.820  -8.287
  184   1HB   GLU  24          1HB       GLU  24   8.035   1.242 -10.610
  185   2HB   GLU  24          2HB       GLU  24   9.588   0.456 -10.449
  186   1HG   GLU  24          1HG       GLU  24   8.238  -1.045 -11.654
  187   2HG   GLU  24          2HG       GLU  24   8.339  -1.744 -10.049
  188    H    ASP  25           H        ASP  25  11.034   0.014  -8.000
  189    HA   ASP  25           HA       ASP  25  10.464  -2.696  -7.042
  190   1HB   ASP  25          1HB       ASP  25  12.625  -2.436  -8.035
  191   2HB   ASP  25          2HB       ASP  25  13.005  -1.027  -7.030
  192    H    THR  26           H        THR  26  11.704   0.342  -5.587
  193    HA   THR  26           HA       THR  26  11.744  -0.698  -2.994
  194    HB   THR  26           HB       THR  26  11.395   2.220  -3.784
  195    HG1  THR  26           HG1      THR  26  13.428   0.356  -4.092
  196   1HG2  THR  26          3HG2      THR  26  11.283   1.788  -1.316
  197   2HG2  THR  26          1HG2      THR  26  12.854   0.977  -1.402
  198   3HG2  THR  26          2HG2      THR  26  12.716   2.710  -1.785
  199    H    VAL  27           H        VAL  27   8.976   0.753  -4.716
  200    HA   VAL  27           HA       VAL  27   7.296   0.728  -2.337
  201    HB   VAL  27           HB       VAL  27   6.441   0.623  -5.261
  202   1HG1  VAL  27          2HG1      VAL  27   4.966   0.808  -2.627
  203   2HG1  VAL  27          3HG1      VAL  27   4.303   1.653  -4.019
  204   3HG1  VAL  27          1HG1      VAL  27   4.549  -0.107  -4.082
  205   1HG2  VAL  27          1HG2      VAL  27   7.640   2.720  -4.724
  206   2HG2  VAL  27          2HG2      VAL  27   5.939   3.002  -5.035
  207   3HG2  VAL  27          3HG2      VAL  27   6.538   3.008  -3.357
  208    H    THR  28           H        THR  28   7.951  -1.657  -4.991
  209    HA   THR  28           HA       THR  28   6.048  -3.561  -4.190
  210    HB   THR  28           HB       THR  28   8.654  -3.689  -5.760
  211    HG1  THR  28           HG1      THR  28   7.229  -2.710  -6.944
  212   1HG2  THR  28          2HG2      THR  28   6.678  -5.977  -5.427
  213   2HG2  THR  28          3HG2      THR  28   7.951  -5.858  -6.658
  214   3HG2  THR  28          1HG2      THR  28   8.390  -5.952  -4.952
  215    H    GLN  29           H        GLN  29   9.540  -3.342  -3.312
  216    HA   GLN  29           HA       GLN  29   9.337  -5.596  -1.520
  217   1HB   GLN  29          1HB       GLN  29  11.531  -4.888  -0.656
  218   2HB   GLN  29          2HB       GLN  29  11.477  -5.163  -2.395
  219   1HG   GLN  29          1HG       GLN  29  11.759  -2.918  -2.918
  220   2HG   GLN  29          2HG       GLN  29  11.330  -2.352  -1.295
  221   1HE2  GLN  29          2HE2      GLN  29  15.188  -3.033  -2.110
  222   2HE2  GLN  29          1HE2      GLN  29  13.962  -2.892  -3.357
  223    H    ALA  30           H        ALA  30   9.373  -2.014  -0.889
  224    HA   ALA  30           HA       ALA  30   9.259  -2.306   1.910
  225   1HB   ALA  30          3HB       ALA  30   9.882  -0.184   0.796
  226   2HB   ALA  30          1HB       ALA  30   8.194   0.022   0.262
  227   3HB   ALA  30          2HB       ALA  30   8.589   0.042   1.988
  228    H    ALA  31           H        ALA  31   6.594  -2.263  -0.497
  229    HA   ALA  31           HA       ALA  31   4.542  -2.083   1.552
  230   1HB   ALA  31          1HB       ALA  31   4.214  -1.251  -0.804
  231   2HB   ALA  31          2HB       ALA  31   4.306  -2.921  -1.392
  232   3HB   ALA  31          3HB       ALA  31   2.982  -2.431  -0.320
  233    H    SER  32           H        SER  32   5.816  -4.836  -0.500
  234    HA   SER  32           HA       SER  32   3.934  -6.717   0.679
  235   1HB   SER  32          1HB       SER  32   5.566  -8.451  -0.152
  236   2HB   SER  32          2HB       SER  32   5.062  -7.302  -1.403
  237    HG   SER  32           HG       SER  32   7.020  -6.299  -1.310
  238    H    GLN  33           H        GLN  33   7.026  -5.500   1.823
  239    HA   GLN  33           HA       GLN  33   6.650  -7.097   4.248
  240   1HB   GLN  33          1HB       GLN  33   8.944  -5.362   3.344
  241   2HB   GLN  33          2HB       GLN  33   8.850  -6.141   4.932
  242   1HG   GLN  33          1HG       GLN  33   8.760  -7.598   2.241
  243   2HG   GLN  33          2HG       GLN  33  10.135  -7.533   3.333
  244   1HE2  GLN  33          2HE2      GLN  33   8.775  -9.898   5.710
  245   2HE2  GLN  33          1HE2      GLN  33   9.954  -8.644   5.453
  246    H    VAL  34           H        VAL  34   5.747  -3.820   3.276
  247    HA   VAL  34           HA       VAL  34   5.542  -2.707   5.834
  248    HB   VAL  34           HB       VAL  34   4.837  -1.633   3.599
  249   1HG1  VAL  34          1HG1      VAL  34   2.622  -3.179   3.309
  250   2HG1  VAL  34          2HG1      VAL  34   1.970  -1.940   4.331
  251   3HG1  VAL  34          3HG1      VAL  34   2.715  -1.513   2.788
  252   1HG2  VAL  34          1HG2      VAL  34   3.411  -1.105   6.164
  253   2HG2  VAL  34          2HG2      VAL  34   4.967  -0.432   5.580
  254   3HG2  VAL  34          3HG2      VAL  34   3.456  -0.010   4.776
  255    H    CYS  35           H        CYS  35   3.514  -4.932   4.027
  256    HA   CYS  35           HA       CYS  35   1.411  -5.274   5.901
  257   1HB   CYS  35          1HB       CYS  35   2.609  -7.284   3.914
  258   2HB   CYS  35          2HB       CYS  35   1.000  -7.328   4.636
  259    H    ASP  36           H        ASP  36   4.389  -7.142   5.228
  260    HA   ASP  36           HA       ASP  36   4.027  -9.080   7.239
  261   1HB   ASP  36          1HB       ASP  36   5.831  -8.953   5.439
  262   2HB   ASP  36          2HB       ASP  36   6.767  -7.986   6.594
  263    H    LYS  37           H        LYS  37   5.483  -5.926   7.499
  264    HA   LYS  37           HA       LYS  37   6.381  -5.998  10.191
  265   1HB   LYS  37          1HB       LYS  37   7.203  -4.712   8.181
  266   2HB   LYS  37          2HB       LYS  37   5.826  -3.625   8.338
  267   1HG   LYS  37          1HG       LYS  37   6.767  -2.785  10.470
  268   2HG   LYS  37          2HG       LYS  37   8.077  -3.990  10.365
  269   1HD   LYS  37          1HD       LYS  37   8.716  -3.013   8.117
  270   2HD   LYS  37          2HD       LYS  37   7.508  -1.746   8.370
  271   1HE   LYS  37          1HE       LYS  37   8.763  -0.948  10.354
  272   2HE   LYS  37          2HE       LYS  37   9.928  -2.268  10.149
  273   1HZ   LYS  37          3HZ       LYS  37  10.563  -1.302   8.021
  274   2HZ   LYS  37          1HZ       LYS  37   9.485  -0.075   8.212
  275   3HZ   LYS  37          2HZ       LYS  37  10.765  -0.209   9.223
  276    H    LEU  38           H        LEU  38   3.417  -4.805   8.643
  277    HA   LEU  38           HA       LEU  38   2.185  -3.710  11.069
  278   1HB   LEU  38          1HB       LEU  38   1.163  -4.345   8.272
  279   2HB   LEU  38          2HB       LEU  38   0.131  -3.719   9.542
  280    HG   LEU  38           HG       LEU  38   2.572  -2.178   8.571
  281   1HD1  LEU  38          2HD1      LEU  38   1.064  -2.605   6.652
  282   2HD1  LEU  38          3HD1      LEU  38  -0.316  -1.991   7.588
  283   3HD1  LEU  38          1HD1      LEU  38   1.014  -0.905   7.127
  284   1HD2  LEU  38          1HD2      LEU  38   0.032  -1.257   9.982
  285   2HD2  LEU  38          2HD2      LEU  38   1.643  -1.413  10.730
  286   3HD2  LEU  38          3HD2      LEU  38   1.371  -0.229   9.446
  287    H    LYS  39           H        LYS  39   2.389  -5.587  12.480
  288    HA   LYS  39           HA       LYS  39   1.311  -8.121  11.548
  289   1HB   LYS  39          1HB       LYS  39   1.611  -8.899  13.932
  290   2HB   LYS  39          2HB       LYS  39   3.055  -8.473  13.052
  291   1HG   LYS  39          1HG       LYS  39   1.787  -6.291  14.713
  292   2HG   LYS  39          2HG       LYS  39   2.518  -7.639  15.598
  293   1HD   LYS  39          1HD       LYS  39   4.668  -7.214  14.845
  294   2HD   LYS  39          2HD       LYS  39   4.118  -6.505  13.334
  295   1HE   LYS  39          1HE       LYS  39   3.226  -4.537  14.759
  296   2HE   LYS  39          2HE       LYS  39   4.244  -5.184  16.058
  297   1HZ   LYS  39          1HZ       LYS  39   5.171  -4.454  13.337
  298   2HZ   LYS  39          2HZ       LYS  39   5.384  -3.519  14.689
  299   3HZ   LYS  39          3HZ       LYS  39   6.138  -4.976  14.567
  300    H    ILE  40           H        ILE  40  -0.404  -9.274  12.825
  301    HA   ILE  40           HA       ILE  40  -2.546  -9.567  13.420
  302    HB   ILE  40           HB       ILE  40  -2.832  -6.578  13.958
  303   1HG1  ILE  40          1HG1      ILE  40  -1.173  -7.453  15.503
  304   2HG1  ILE  40          2HG1      ILE  40  -2.676  -7.111  16.336
  305   1HG2  ILE  40          2HG2      ILE  40  -4.662  -8.907  14.619
  306   2HG2  ILE  40          3HG2      ILE  40  -4.843  -7.246  15.222
  307   3HG2  ILE  40          1HG2      ILE  40  -4.973  -7.572  13.496
  308   1HD1  ILE  40          3HD1      ILE  40  -3.224  -9.545  16.361
  309   2HD1  ILE  40          1HD1      ILE  40  -1.684  -9.885  15.533
  310   3HD1  ILE  40          2HD1      ILE  40  -1.686  -9.185  17.158
  311    H    LEU  41           H        LEU  41  -2.156  -6.473  11.647
  312    HA   LEU  41           HA       LEU  41  -4.251  -7.158   9.760
  313   1HB   LEU  41          1HB       LEU  41  -3.580  -4.870  10.809
  314   2HB   LEU  41          2HB       LEU  41  -2.259  -4.864   9.642
  315    HG   LEU  41           HG       LEU  41  -3.948  -4.938   7.801
  316   1HD1  LEU  41          2HD1      LEU  41  -5.984  -4.674  10.062
  317   2HD1  LEU  41          3HD1      LEU  41  -6.336  -4.434   8.346
  318   3HD1  LEU  41          1HD1      LEU  41  -5.861  -6.029   8.920
  319   1HD2  LEU  41          1HD2      LEU  41  -3.051  -2.789   8.642
  320   2HD2  LEU  41          2HD2      LEU  41  -4.731  -2.612   8.102
  321   3HD2  LEU  41          3HD2      LEU  41  -4.367  -2.703   9.833
  322    H    ARG  42           H        ARG  42  -1.387  -8.424  10.006
  323    HA   ARG  42           HA       ARG  42   0.180  -8.159   7.722
  324   1HB   ARG  42          1HB       ARG  42   0.504  -9.405  10.007
  325   2HB   ARG  42          2HB       ARG  42  -0.231 -10.790   9.226
  326   1HG   ARG  42          1HG       ARG  42   1.659 -10.752   7.540
  327   2HG   ARG  42          2HG       ARG  42   2.332  -9.376   8.446
  328   1HD   ARG  42          1HD       ARG  42   2.397 -10.808  10.507
  329   2HD   ARG  42          2HD       ARG  42   1.912 -12.198   9.517
  330    HE   ARG  42           HE       ARG  42   4.260 -11.059   8.352
  331   1HH1  ARG  42          2HH2      ARG  42   3.406 -12.974  11.207
  332   2HH1  ARG  42          1HH2      ARG  42   5.046 -13.434  11.508
  333   1HH2  ARG  42          2HH1      ARG  42   6.360 -11.535   8.806
  334   2HH2  ARG  42          1HH1      ARG  42   6.800 -12.610  10.072
  335    H    GLY  43           H        GLY  43  -2.369 -10.619   8.306
  336   1HA   GLY  43          1HA       GLY  43  -2.278 -11.806   5.727
  337   2HA   GLY  43          2HA       GLY  43  -3.625 -11.884   6.866
  338    H    LEU  44           H        LEU  44  -3.936  -8.795   6.819
  339    HA   LEU  44           HA       LEU  44  -5.918  -8.911   4.704
  340   1HB   LEU  44          1HB       LEU  44  -6.121  -7.845   7.054
  341   2HB   LEU  44          2HB       LEU  44  -5.133  -6.532   6.448
  342    HG   LEU  44           HG       LEU  44  -7.451  -5.936   6.459
  343   1HD1  LEU  44          2HD1      LEU  44  -6.042  -5.079   4.573
  344   2HD1  LEU  44          3HD1      LEU  44  -6.731  -6.352   3.539
  345   3HD1  LEU  44          1HD1      LEU  44  -7.776  -5.109   4.251
  346   1HD2  LEU  44          3HD2      LEU  44  -8.413  -8.219   6.279
  347   2HD2  LEU  44          1HD2      LEU  44  -9.187  -7.045   5.211
  348   3HD2  LEU  44          2HD2      LEU  44  -8.041  -8.223   4.538
  349    H    CYS  45           H        CYS  45  -3.206  -6.635   5.480
  350    HA   CYS  45           HA       CYS  45  -2.813  -5.473   3.058
  351   1HB   CYS  45          1HB       CYS  45  -1.847  -4.991   5.319
  352   2HB   CYS  45          2HB       CYS  45  -0.790  -6.359   5.149
  353    H    LYS  46           H        LYS  46  -1.122  -8.535   4.150
  354    HA   LYS  46           HA       LYS  46   0.259  -8.765   1.677
  355   1HB   LYS  46          1HB       LYS  46  -0.343 -10.874   3.757
  356   2HB   LYS  46          2HB       LYS  46   0.447 -11.254   2.225
  357   1HG   LYS  46          1HG       LYS  46   2.188  -9.494   2.690
  358   2HG   LYS  46          2HG       LYS  46   1.465  -9.296   4.303
  359   1HD   LYS  46          1HD       LYS  46   1.950 -11.493   4.933
  360   2HD   LYS  46          2HD       LYS  46   2.550 -11.939   3.334
  361   1HE   LYS  46          1HE       LYS  46   3.837  -9.900   5.216
  362   2HE   LYS  46          2HE       LYS  46   4.351 -11.567   5.054
  363   1HZ   LYS  46          3HZ       LYS  46   4.938 -11.057   2.712
  364   2HZ   LYS  46          1HZ       LYS  46   4.615  -9.448   3.002
  365   3HZ   LYS  46          2HZ       LYS  46   5.794 -10.191   3.791
  366    H    LYS  47           H        LYS  47  -3.070  -9.947   2.491
  367    HA   LYS  47           HA       LYS  47  -3.292 -11.345  -0.011
  368   1HB   LYS  47          1HB       LYS  47  -4.722 -11.803   1.948
  369   2HB   LYS  47          2HB       LYS  47  -5.523 -10.232   1.746
  370   1HG   LYS  47          1HG       LYS  47  -6.497 -10.906  -0.353
  371   2HG   LYS  47          2HG       LYS  47  -5.390 -12.273  -0.508
  372   1HD   LYS  47          1HD       LYS  47  -7.553 -13.124   0.017
  373   2HD   LYS  47          2HD       LYS  47  -6.479 -13.415   1.391
  374   1HE   LYS  47          1HE       LYS  47  -7.465 -11.474   2.580
  375   2HE   LYS  47          2HE       LYS  47  -8.498 -11.130   1.182
  376   1HZ   LYS  47          1HZ       LYS  47  -8.611 -13.606   2.807
  377   2HZ   LYS  47          2HZ       LYS  47  -9.689 -12.370   2.878
  378   3HZ   LYS  47          3HZ       LYS  47  -9.568 -13.272   1.515
  379    H    ILE  48           H        ILE  48  -3.995  -7.926   0.894
  380    HA   ILE  48           HA       ILE  48  -5.157  -7.193  -1.627
  381    HB   ILE  48           HB       ILE  48  -3.641  -5.566   0.456
  382   1HG1  ILE  48          1HG1      ILE  48  -6.604  -5.631  -0.291
  383   2HG1  ILE  48          2HG1      ILE  48  -5.908  -6.522   1.056
  384   1HG2  ILE  48          2HG2      ILE  48  -3.394  -4.475  -1.797
  385   2HG2  ILE  48          3HG2      ILE  48  -5.164  -4.460  -1.951
  386   3HG2  ILE  48          1HG2      ILE  48  -4.345  -3.523  -0.687
  387   1HD1  ILE  48          3HD1      ILE  48  -5.188  -4.395   2.118
  388   2HD1  ILE  48          1HD1      ILE  48  -5.976  -3.485   0.805
  389   3HD1  ILE  48          2HD1      ILE  48  -6.948  -4.492   1.873
  390    H    MET  49           H        MET  49  -1.755  -6.856  -0.431
  391    HA   MET  49           HA       MET  49  -0.635  -6.020  -2.847
  392   1HB   MET  49          1HB       MET  49   0.441  -7.421  -0.393
  393   2HB   MET  49          2HB       MET  49   1.493  -7.091  -1.760
  394   1HG   MET  49          1HG       MET  49   1.607  -5.339  -0.035
  395   2HG   MET  49          2HG       MET  49   1.138  -4.731  -1.617
  396   1HE   MET  49          2HE       MET  49   0.732  -2.480  -0.244
  397   2HE   MET  49          3HE       MET  49  -0.537  -2.263   0.965
  398   3HE   MET  49          1HE       MET  49   0.921  -3.209   1.354
  399    H    ARG  50           H        ARG  50  -1.157  -9.438  -1.771
  400    HA   ARG  50           HA       ARG  50   0.155 -10.733  -3.887
  401   1HB   ARG  50          1HB       ARG  50  -1.123 -11.721  -1.861
  402   2HB   ARG  50          2HB       ARG  50  -2.586 -11.560  -2.808
  403   1HG   ARG  50          1HG       ARG  50  -0.198 -13.355  -3.294
  404   2HG   ARG  50          2HG       ARG  50  -1.819 -13.826  -2.833
  405   1HD   ARG  50          1HD       ARG  50  -0.837 -12.933  -5.550
  406   2HD   ARG  50          2HD       ARG  50  -1.444 -14.509  -5.072
  407    HE   ARG  50           HE       ARG  50  -3.542 -12.661  -4.665
  408   1HH1  ARG  50          2HH2      ARG  50  -1.686 -14.068  -7.325
  409   2HH1  ARG  50          1HH2      ARG  50  -2.893 -13.845  -8.530
  410   1HH2  ARG  50          2HH1      ARG  50  -5.159 -12.124  -6.392
  411   2HH2  ARG  50          1HH1      ARG  50  -4.918 -12.795  -7.937
  412    H    SER  51           H        SER  51  -3.153  -9.309  -3.879
  413    HA   SER  51           HA       SER  51  -3.496 -10.254  -6.665
  414   1HB   SER  51          1HB       SER  51  -5.160 -10.564  -4.703
  415   2HB   SER  51          2HB       SER  51  -5.535  -8.846  -4.917
  416    HG   SER  51           HG       SER  51  -6.109  -9.309  -7.056
  417    H    PHE  52           H        PHE  52  -2.653  -7.269  -5.050
  418    HA   PHE  52           HA       PHE  52  -3.123  -5.788  -7.601
  419   1HB   PHE  52          1HB       PHE  52  -3.766  -4.816  -4.790
  420   2HB   PHE  52          2HB       PHE  52  -4.094  -3.970  -6.287
  421    HD1  PHE  52           HD1      PHE  52  -5.622  -5.369  -8.047
  422    HD2  PHE  52           HD2      PHE  52  -5.576  -5.896  -3.766
  423    HE1  PHE  52           HE1      PHE  52  -7.913  -6.315  -8.133
  424    HE2  PHE  52           HE2      PHE  52  -7.876  -6.831  -3.863
  425    HZ   PHE  52           HZ       PHE  52  -9.044  -7.036  -6.044
  426    H    LEU  53           H        LEU  53  -0.564  -6.890  -6.601
  427    HA   LEU  53           HA       LEU  53   0.878  -5.140  -5.070
  428   1HB   LEU  53          1HB       LEU  53   1.514  -7.493  -6.085
  429   2HB   LEU  53          2HB       LEU  53   2.161  -6.587  -7.413
  430    HG   LEU  53           HG       LEU  53   3.986  -7.015  -6.012
  431   1HD1  LEU  53          1HD1      LEU  53   3.975  -4.590  -6.633
  432   2HD1  LEU  53          2HD1      LEU  53   3.195  -4.222  -5.063
  433   3HD1  LEU  53          3HD1      LEU  53   4.791  -4.937  -5.118
  434   1HD2  LEU  53          1HD2      LEU  53   2.693  -7.746  -4.034
  435   2HD2  LEU  53          2HD2      LEU  53   4.046  -6.689  -3.600
  436   3HD2  LEU  53          3HD2      LEU  53   2.392  -6.041  -3.613
  437    H    ARG  54           H        ARG  54   1.237  -5.164  -8.704
  438    HA   ARG  54           HA       ARG  54   2.643  -2.699  -8.586
  439   1HB   ARG  54          1HB       ARG  54   2.632  -4.457 -10.499
  440   2HB   ARG  54          2HB       ARG  54   1.202  -3.594 -11.091
  441   1HG   ARG  54          1HG       ARG  54   2.732  -1.443 -10.888
  442   2HG   ARG  54          2HG       ARG  54   4.049  -2.590 -10.757
  443   1HD   ARG  54          1HD       ARG  54   2.101  -2.441 -13.091
  444   2HD   ARG  54          2HD       ARG  54   3.628  -1.579 -13.027
  445    HE   ARG  54           HE       ARG  54   3.205  -4.459 -13.428
  446   1HH1  ARG  54          2HH2      ARG  54   5.655  -1.938 -12.787
  447   2HH1  ARG  54          1HH2      ARG  54   6.901  -2.698 -13.670
  448   1HH2  ARG  54          2HH1      ARG  54   4.920  -5.539 -14.588
  449   2HH2  ARG  54          1HH1      ARG  54   6.481  -4.814 -14.654
  450    H    ARG  55           H        ARG  55  -0.874  -3.170  -8.260
  451    HA   ARG  55           HA       ARG  55  -1.528  -0.639  -9.383
  452   1HB   ARG  55          1HB       ARG  55  -2.934  -2.583  -7.556
  453   2HB   ARG  55          2HB       ARG  55  -3.524  -0.977  -7.658
  454   1HG   ARG  55          1HG       ARG  55  -3.297  -2.823 -10.036
  455   2HG   ARG  55          2HG       ARG  55  -4.703  -2.782  -8.994
  456   1HD   ARG  55          1HD       ARG  55  -3.958  -0.178 -10.285
  457   2HD   ARG  55          2HD       ARG  55  -4.517  -1.450 -11.347
  458    HE   ARG  55           HE       ARG  55  -6.484  -1.559  -9.575
  459   1HH1  ARG  55          2HH2      ARG  55  -5.178   1.445 -11.114
  460   2HH1  ARG  55          1HH2      ARG  55  -6.683   2.256 -10.830
  461   1HH2  ARG  55          2HH1      ARG  55  -8.530  -0.273  -9.480
  462   2HH2  ARG  55          1HH1      ARG  55  -8.367   1.391  -9.859
  463    H    ILE  56           H        ILE  56  -0.809  -1.962  -6.060
  464    HA   ILE  56           HA       ILE  56  -1.040   0.547  -4.710
  465    HB   ILE  56           HB       ILE  56   0.284  -2.104  -4.174
  466   1HG1  ILE  56          1HG1      ILE  56  -1.313  -2.411  -2.521
  467   2HG1  ILE  56          2HG1      ILE  56  -1.587  -0.693  -2.289
  468   1HG2  ILE  56          2HG2      ILE  56   0.644   0.313  -2.362
  469   2HG2  ILE  56          3HG2      ILE  56   1.016  -1.374  -1.945
  470   3HG2  ILE  56          1HG2      ILE  56   1.921  -0.580  -3.215
  471   1HD1  ILE  56          2HD1      ILE  56  -2.601  -2.250  -4.692
  472   2HD1  ILE  56          3HD1      ILE  56  -3.534  -1.812  -3.259
  473   3HD1  ILE  56          1HD1      ILE  56  -2.919  -0.546  -4.330
  474    H    SER  57           H        SER  57   1.644  -0.825  -6.626
  475    HA   SER  57           HA       SER  57   3.466   1.213  -5.837
  476   1HB   SER  57          1HB       SER  57   3.912  -1.071  -6.967
  477   2HB   SER  57          2HB       SER  57   3.447  -0.292  -8.491
  478    HG   SER  57           HG       SER  57   5.568  -0.208  -8.276
  479    H    TRP  58           H        TRP  58   1.527   0.966  -8.895
  480    HA   TRP  58           HA       TRP  58   1.995   3.506  -9.918
  481   1HB   TRP  58          1HB       TRP  58   0.649   2.505 -11.412
  482   2HB   TRP  58          2HB       TRP  58  -0.138   1.510 -10.201
  483    HD1  TRP  58           HD1      TRP  58  -0.404   5.166 -11.497
  484    HE1  TRP  58           HE1      TRP  58  -2.715   6.054 -11.041
  485    HE3  TRP  58           HE3      TRP  58  -2.355   1.086  -9.210
  486    HZ2  TRP  58           HZ2      TRP  58  -5.143   5.105  -9.574
  487    HZ3  TRP  58           HZ3      TRP  58  -4.531   1.086  -8.210
  488    HH2  TRP  58           HH2      TRP  58  -5.916   3.089  -8.228
  489    H    ASP  59           H        ASP  59  -0.354   2.618  -7.405
  490    HA   ASP  59           HA       ASP  59  -1.566   5.107  -6.992
  491   1HB   ASP  59          1HB       ASP  59  -1.018   2.776  -5.108
  492   2HB   ASP  59          2HB       ASP  59  -1.724   4.233  -4.511
  493    HD2  ASP  59           HD2      ASP  59  -4.112   1.923  -6.460
  494    H    ILE  60           H        ILE  60   1.403   3.876  -5.283
  495    HA   ILE  60           HA       ILE  60   1.773   6.372  -3.901
  496    HB   ILE  60           HB       ILE  60   3.973   4.369  -4.502
  497   1HG1  ILE  60          1HG1      ILE  60   2.475   2.971  -3.373
  498   2HG1  ILE  60          2HG1      ILE  60   3.514   3.576  -2.122
  499   1HG2  ILE  60          2HG2      ILE  60   3.515   6.467  -2.309
  500   2HG2  ILE  60          3HG2      ILE  60   4.878   5.344  -2.366
  501   3HG2  ILE  60          1HG2      ILE  60   4.689   6.569  -3.624
  502   1HD1  ILE  60          2HD1      ILE  60   1.702   5.198  -1.471
  503   2HD1  ILE  60          3HD1      ILE  60   0.647   4.421  -2.685
  504   3HD1  ILE  60          1HD1      ILE  60   1.253   3.485  -1.321
  505    H    LEU  61           H        LEU  61   3.163   4.985  -6.903
  506    HA   LEU  61           HA       LEU  61   5.029   7.023  -7.439
  507   1HB   LEU  61          1HB       LEU  61   3.554   5.158  -9.327
  508   2HB   LEU  61          2HB       LEU  61   4.923   6.147  -9.811
  509    HG   LEU  61           HG       LEU  61   5.152   4.105  -7.564
  510   1HD1  LEU  61          3HD1      LEU  61   4.403   2.950  -9.629
  511   2HD1  LEU  61          1HD1      LEU  61   5.753   3.679 -10.525
  512   3HD1  LEU  61          2HD1      LEU  61   6.057   2.529  -9.203
  513   1HD2  LEU  61          2HD2      LEU  61   6.983   5.801  -7.715
  514   2HD2  LEU  61          3HD2      LEU  61   7.512   4.148  -8.031
  515   3HD2  LEU  61          1HD2      LEU  61   7.293   5.277  -9.384
  516    H    THR  62           H        THR  62   1.563   6.971  -8.150
  517    HA   THR  62           HA       THR  62   1.780   9.536  -9.635
  518    HB   THR  62           HB       THR  62  -0.692   9.253  -9.954
  519    HG1  THR  62           HG1      THR  62  -0.182   6.650  -8.923
  520   1HG2  THR  62          3HG2      THR  62   0.967   8.606 -11.658
  521   2HG2  THR  62          1HG2      THR  62   1.057   6.975 -10.968
  522   3HG2  THR  62          2HG2      THR  62  -0.462   7.565 -11.694
  523    H    GLY  63           H        GLY  63   2.291   9.048  -6.655
  524   1HA   GLY  63          1HA       GLY  63   1.840   9.818  -4.602
  525   2HA   GLY  63          2HA       GLY  63   1.758  11.378  -5.434
  526    H    LYS  64           H        LYS  64  -0.542   8.537  -5.457
  527    HA   LYS  64           HA       LYS  64  -2.678  10.534  -5.240
  528   1HB   LYS  64          1HB       LYS  64  -2.678   8.564  -6.799
  529   2HB   LYS  64          2HB       LYS  64  -2.810   7.477  -5.416
  530   1HG   LYS  64          1HG       LYS  64  -4.993   8.527  -4.827
  531   2HG   LYS  64          2HG       LYS  64  -4.825   9.646  -6.181
  532   1HD   LYS  64          1HD       LYS  64  -5.101   6.610  -6.411
  533   2HD   LYS  64          2HD       LYS  64  -6.384   7.798  -6.648
  534   1HE   LYS  64          1HE       LYS  64  -4.491   8.755  -8.403
  535   2HE   LYS  64          2HE       LYS  64  -4.106   7.036  -8.439
  536   1HZ   LYS  64          2HZ       LYS  64  -6.490   6.627  -9.027
  537   2HZ   LYS  64          3HZ       LYS  64  -6.765   8.230  -9.038
  538   3HZ   LYS  64          1HZ       LYS  64  -5.738   7.562 -10.123
  539    H    LYS  65           H        LYS  65  -4.088  10.637  -3.472
  540    HA   LYS  65           HA       LYS  65  -2.792   9.921  -0.920
  541   1HB   LYS  65          1HB       LYS  65  -5.185  11.577  -1.673
  542   2HB   LYS  65          2HB       LYS  65  -5.000  11.077  -0.010
  543   1HG   LYS  65          1HG       LYS  65  -4.042  13.379  -0.920
  544   2HG   LYS  65          2HG       LYS  65  -3.306  12.523   0.410
  545   1HD   LYS  65          1HD       LYS  65  -2.207  12.261  -2.423
  546   2HD   LYS  65          2HD       LYS  65  -1.797  13.590  -1.371
  547   1HE   LYS  65          1HE       LYS  65  -0.344  12.433  -0.148
  548   2HE   LYS  65          2HE       LYS  65  -1.477  11.123   0.130
  549   1HZ   LYS  65          1HZ       LYS  65  -0.799  10.154  -1.990
  550   2HZ   LYS  65          2HZ       LYS  65   0.330  11.347  -2.195
  551   3HZ   LYS  65          3HZ       LYS  65   0.361  10.270  -0.902
  552    HA   PRO  66           HA       PRO  66  -4.335   6.093   0.040
  553   1HB   PRO  66          1HB       PRO  66  -5.232   6.247   2.675
  554   2HB   PRO  66          2HB       PRO  66  -3.522   6.181   2.171
  555   1HG   PRO  66          1HG       PRO  66  -5.183   8.659   2.737
  556   2HG   PRO  66          2HG       PRO  66  -3.558   8.257   3.361
  557   1HD   PRO  66          1HD       PRO  66  -3.727   9.864   1.281
  558   2HD   PRO  66          2HD       PRO  66  -2.571   8.496   1.171
  559    H    GLN  67           H        GLN  67  -6.677   8.503   1.259
  560    HA   GLN  67           HA       GLN  67  -8.907   6.801   1.391
  561   1HB   GLN  67          1HB       GLN  67  -8.436   9.308   2.200
  562   2HB   GLN  67          2HB       GLN  67  -9.046   9.744   0.617
  563   1HG   GLN  67          1HG       GLN  67 -10.906   9.917   2.044
  564   2HG   GLN  67          2HG       GLN  67 -11.163   8.392   1.186
  565   1HE2  GLN  67          2HE2      GLN  67 -11.679   6.949   4.418
  566   2HE2  GLN  67          1HE2      GLN  67 -12.341   7.243   2.828
  567    H    ALA  68           H        ALA  68  -7.570   8.632  -1.353
  568    HA   ALA  68           HA       ALA  68  -9.785   7.903  -3.147
  569   1HB   ALA  68          2HB       ALA  68  -7.085   9.246  -3.686
  570   2HB   ALA  68          3HB       ALA  68  -8.414   9.060  -4.849
  571   3HB   ALA  68          1HB       ALA  68  -8.635  10.082  -3.418
  572    H    ILE  69           H        ILE  69  -6.362   6.844  -2.524
  573    HA   ILE  69           HA       ILE  69  -6.128   5.035  -4.676
  574    HB   ILE  69           HB       ILE  69  -5.070   4.958  -1.807
  575   1HG1  ILE  69          1HG1      ILE  69  -3.580   5.423  -4.398
  576   2HG1  ILE  69          2HG1      ILE  69  -4.234   6.706  -3.470
  577   1HG2  ILE  69          1HG2      ILE  69  -4.770   2.879  -3.960
  578   2HG2  ILE  69          2HG2      ILE  69  -3.463   3.111  -2.793
  579   3HG2  ILE  69          3HG2      ILE  69  -5.069   2.670  -2.237
  580   1HD1  ILE  69          1HD1      ILE  69  -2.236   4.754  -2.249
  581   2HD1  ILE  69          2HD1      ILE  69  -1.774   6.207  -3.117
  582   3HD1  ILE  69          3HD1      ILE  69  -2.754   6.340  -1.644
  583    H    CYS  70           H        CYS  70  -7.347   4.342  -1.393
  584    HA   CYS  70           HA       CYS  70  -8.104   1.651  -1.882
  585   1HB   CYS  70          1HB       CYS  70  -9.234   3.708   0.061
  586   2HB   CYS  70          2HB       CYS  70  -9.419   1.945   0.183
  587    H    VAL  71           H        VAL  71 -10.074   4.705  -2.503
  588    HA   VAL  71           HA       VAL  71 -12.318   2.972  -3.232
  589    HB   VAL  71           HB       VAL  71 -11.986   5.912  -3.931
  590   1HG1  VAL  71          2HG1      VAL  71 -14.333   3.899  -3.931
  591   2HG1  VAL  71          3HG1      VAL  71 -14.545   5.644  -4.137
  592   3HG1  VAL  71          1HG1      VAL  71 -13.669   4.700  -5.355
  593   1HG2  VAL  71          3HG2      VAL  71 -12.088   5.475  -1.448
  594   2HG2  VAL  71          1HG2      VAL  71 -13.565   6.242  -2.048
  595   3HG2  VAL  71          2HG2      VAL  71 -13.549   4.502  -1.741
  596    H    ASP  72           H        ASP  72  -9.633   4.516  -5.141
  597    HA   ASP  72           HA       ASP  72 -10.609   3.986  -7.716
  598   1HB   ASP  72          1HB       ASP  72  -8.610   5.346  -7.042
  599   2HB   ASP  72          2HB       ASP  72  -7.721   3.859  -6.756
  600    H    ILE  73           H        ILE  73  -8.637   1.927  -5.591
  601    HA   ILE  73           HA       ILE  73  -8.880  -0.334  -7.460
  602    HB   ILE  73           HB       ILE  73  -7.279  -1.439  -6.116
  603   1HG1  ILE  73          1HG1      ILE  73  -7.712   0.789  -4.070
  604   2HG1  ILE  73          2HG1      ILE  73  -8.064  -0.906  -3.888
  605   1HG2  ILE  73          2HG2      ILE  73  -6.643   0.513  -7.638
  606   2HG2  ILE  73          3HG2      ILE  73  -6.366   1.445  -6.168
  607   3HG2  ILE  73          1HG2      ILE  73  -5.436  -0.048  -6.476
  608   1HD1  ILE  73          1HD1      ILE  73  -5.659  -1.431  -4.157
  609   2HD1  ILE  73          2HD1      ILE  73  -5.305   0.319  -4.230
  610   3HD1  ILE  73          3HD1      ILE  73  -5.977  -0.365  -2.753
  611    H    LYS  74           H        LYS  74 -10.868   0.848  -5.172
  612    HA   LYS  74           HA       LYS  74 -12.825   0.330  -4.388
  613   1HB   LYS  74          1HB       LYS  74 -13.162  -0.637  -6.668
  614   2HB   LYS  74          2HB       LYS  74 -12.806  -2.235  -5.974
  615   1HG   LYS  74          1HG       LYS  74 -14.593  -1.643  -4.209
  616   2HG   LYS  74          2HG       LYS  74 -15.060  -0.311  -5.250
  617   1HD   LYS  74          1HD       LYS  74 -14.939  -3.146  -6.323
  618   2HD   LYS  74          2HD       LYS  74 -16.333  -2.622  -5.385
  619   1HE   LYS  74          1HE       LYS  74 -15.357  -0.984  -7.747
  620   2HE   LYS  74          2HE       LYS  74 -16.415  -2.385  -7.990
  621   1HZ   LYS  74          1HZ       LYS  74 -17.116  -0.142  -6.177
  622   2HZ   LYS  74          2HZ       LYS  74 -17.627  -0.239  -7.736
  623   3HZ   LYS  74          3HZ       LYS  74 -18.069  -1.353  -6.603
  624    H    ILE  75           H        ILE  75 -11.541   0.247  -2.516
  625    HA   ILE  75           HA       ILE  75 -12.003  -2.185  -0.867
  626    HB   ILE  75           HB       ILE  75  -9.519  -0.428  -1.028
  627   1HG1  ILE  75          1HG1      ILE  75  -9.894  -3.371  -1.813
  628   2HG1  ILE  75          2HG1      ILE  75  -9.649  -2.034  -2.924
  629   1HG2  ILE  75          3HG2      ILE  75  -9.875  -1.288   1.293
  630   2HG2  ILE  75          1HG2      ILE  75  -9.859  -2.954   0.625
  631   3HG2  ILE  75          2HG2      ILE  75  -8.430  -1.933   0.552
  632   1HD1  ILE  75          2HD1      ILE  75  -7.444  -1.594  -1.641
  633   2HD1  ILE  75          3HD1      ILE  75  -7.636  -3.257  -1.055
  634   3HD1  ILE  75          1HD1      ILE  75  -7.526  -2.946  -2.798
  635    H    CYS  76           H        CYS  76 -12.281   1.310  -1.170
  636    HA   CYS  76           HA       CYS  76 -12.835   1.473   1.759
  637   1HB   CYS  76          1HB       CYS  76 -11.156   3.009   1.086
  638   2HB   CYS  76          2HB       CYS  76 -12.250   3.688  -0.137
  639    H    LYS  77           H        LYS  77 -14.237   3.914  -0.363
  640    HA   LYS  77           HA       LYS  77 -16.929   2.988   0.446
  641   1HB   LYS  77          1HB       LYS  77 -16.170   5.495   0.472
  642   2HB   LYS  77          2HB       LYS  77 -16.349   5.437  -1.275
  643   1HG   LYS  77          1HG       LYS  77 -18.437   5.027   0.889
  644   2HG   LYS  77          2HG       LYS  77 -18.393   6.305  -0.311
  645   1HD   LYS  77          1HD       LYS  77 -18.998   3.367  -0.873
  646   2HD   LYS  77          2HD       LYS  77 -20.202   4.623  -0.649
  647   1HE   LYS  77          1HE       LYS  77 -19.751   5.676  -2.690
  648   2HE   LYS  77          2HE       LYS  77 -18.108   5.025  -2.774
  649   1HZ   LYS  77          1HZ       LYS  77 -19.026   2.829  -3.161
  650   2HZ   LYS  77          2HZ       LYS  77 -20.542   3.393  -3.166
  651   3HZ   LYS  77          3HZ       LYS  77 -19.463   3.857  -4.335
  652    H    GLU  78           H        GLU  78 -16.025   1.145  -0.624
  653    HA   GLU  78           HA       GLU  78 -15.552   0.523  -3.218
  654   1HB   GLU  78          1HB       GLU  78 -17.373  -0.953  -1.276
  655   2HB   GLU  78          2HB       GLU  78 -16.567  -1.700  -2.654
  656   1HG   GLU  78          1HG       GLU  78 -14.487  -1.692  -1.664
  657   2HG   GLU  78          2HG       GLU  78 -14.737  -0.239  -0.785
   
  No H/Q in entry =         657